flow_filelinking.yaml0000644000000000000000000001222714767266337014013 0ustar rootroot- parameter: inputfeatures target: inputfeatures/mapp_batch_00154_quant.csv - parameter: inputspectra target: inputspectra/mapp_batch_00154.mgf - parameter: metadata_filename target: metadata_filename/mapp_batch_00154_metadata.tsv - parameter: input_libraries target: input_libraries/MMV_POSITIVE.mgf - parameter: input_libraries target: input_libraries/GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE.mgf - parameter: input_libraries target: input_libraries/GNPS-COLLECTIONS-PESTICIDES-POSITIVE.mgf - parameter: input_libraries target: input_libraries/BMDMS-NP.mgf - parameter: input_libraries target: input_libraries/MSNLIB-POSITIVE.mgf - parameter: input_libraries target: input_libraries/LEAFBOT.mgf - parameter: input_libraries target: input_libraries/BIRMINGHAM-UHPLC-MS-NEG.mgf - parameter: input_libraries target: input_libraries/DEREPLICATOR_IDENTIFIED_LIBRARY.mgf - parameter: input_libraries target: input_libraries/GNPS-NIH-NATURALPRODUCTSLIBRARY.mgf - parameter: input_libraries target: input_libraries/RESPECT.mgf - parameter: input_libraries target: input_libraries/MIADB.mgf - parameter: input_libraries target: input_libraries/NEO-MSMS.mgf - parameter: input_libraries target: input_libraries/HCE-CELL-LYSATE-LIPIDS.mgf - parameter: input_libraries target: input_libraries/CASMI.mgf - parameter: input_libraries target: input_libraries/GNPS-COLLECTIONS-PESTICIDES-NEGATIVE.mgf - parameter: input_libraries target: input_libraries/MSNLIB-NEGATIVE.mgf - parameter: input_libraries target: input_libraries/PSU-MSMLS.mgf - parameter: input_libraries target: input_libraries/IQAMDB.mgf - parameter: input_libraries target: input_libraries/GNPS-SELLECKCHEM-FDA-PART1.mgf - parameter: input_libraries target: input_libraries/XANTHONES-DB.mgf - parameter: input_libraries target: input_libraries/GNPS-D2-AMINO-LIPID-LIBRARY.mgf - parameter: input_libraries target: input_libraries/HMDB.mgf - parameter: input_libraries target: input_libraries/BIRMINGHAM-UHPLC-MS-POS.mgf - parameter: input_libraries target: input_libraries/MMV_NEGATIVE.mgf - parameter: input_libraries target: input_libraries/GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE.mgf - parameter: input_libraries target: input_libraries/DRUGS-OF-ABUSE-LIBRARY.mgf - parameter: input_libraries target: input_libraries/MASSBANK.mgf - parameter: input_libraries target: input_libraries/BILELIB19.mgf - parameter: input_libraries target: input_libraries/AASDB.mgf - parameter: input_libraries target: input_libraries/GNPS-IOBA-NHC.mgf - parameter: input_libraries target: input_libraries/GNPS-MSMLS.mgf - parameter: input_libraries target: input_libraries/MCE-DRUG.mgf - parameter: input_libraries target: input_libraries/GNPS-EMBL-MCF.mgf - parameter: input_libraries target: input_libraries/GNPS-NIH-CLINICALCOLLECTION2.mgf - parameter: input_libraries target: input_libraries/GNPS-LIBRARY.mgf - parameter: input_libraries target: input_libraries/ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf - parameter: input_libraries target: input_libraries/CMMC-FOOD-BIOMARKERS.mgf - parameter: input_libraries target: input_libraries/MONA.mgf - parameter: input_libraries target: input_libraries/GNPS-NUTRI-METAB-FEM-POS.mgf - parameter: input_libraries target: input_libraries/ECRFS_DB.mgf - parameter: input_libraries target: input_libraries/GNPS-SAM-SIK-KANG-LEGACY-LIBRARY.mgf - parameter: input_libraries target: input_libraries/PNNL-LIPIDS-POSITIVE.mgf - parameter: input_libraries target: input_libraries/GNPS-NIH-CLINICALCOLLECTION1.mgf - parameter: input_libraries target: input_libraries/UM-NPDC.mgf - parameter: input_libraries target: input_libraries/LDB_POSITIVE.mgf - parameter: input_libraries target: input_libraries/MASSBANKEU.mgf - parameter: input_libraries target: input_libraries/GNPS-N-ACYL-LIPIDS-MASSQL.mgf - parameter: input_libraries target: input_libraries/GNPS-SELLECKCHEM-FDA-PART2.mgf - parameter: input_libraries target: input_libraries/GNPS-COLLECTIONS-MISC.mgf - parameter: input_libraries target: input_libraries/ECG-ACYL-ESTERS-C4-C24-LIBRARY.mgf - parameter: input_libraries target: input_libraries/DMIM-DRUG-METABOLITE-LIBRARY.mgf - parameter: input_libraries target: input_libraries/GNPS-NIST14-MATCHES.mgf - parameter: input_libraries target: input_libraries/PNNL-LIPIDS-NEGATIVE.mgf - parameter: input_libraries target: input_libraries/GNPS-FAULKNERLEGACY.mgf - parameter: input_libraries target: input_libraries/PHENOLICSDB.mgf - parameter: input_libraries target: input_libraries/GNPS-PRESTWICKPHYTOCHEM.mgf - parameter: input_libraries target: input_libraries/BERKELEY-LAB.mgf - parameter: input_libraries target: input_libraries/SUMNER.mgf - parameter: input_libraries target: input_libraries/ELIXDB-LICHEN-DATABASE.mgf - parameter: input_libraries target: input_libraries/GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE.mgf - parameter: input_libraries target: input_libraries/LDB_NEGATIVE.mgf - parameter: input_libraries target: input_libraries/GNPS-NUTRI-METAB-FEM-NEG.mgf - parameter: input_libraries target: input_libraries/TUEBINGEN-NATURAL-PRODUCT-COLLECTION.mgf - parameter: input_libraries target: input_libraries/GNPS-SCIEX-LIBRARY.mgf input_libraries/0000755000000000000000000000000014767266337012774 5ustar rootrootinput_libraries/LDB_NEGATIVE.mgf0000777000000000000000000000000014767266337031344 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/LDB_NEGATIVE.mgfustar rootrootinput_libraries/GNPS-FAULKNERLEGACY.mgf0000777000000000000000000000000014767266337033300 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-FAULKNERLEGACY.mgfustar rootrootinput_libraries/GNPS-NIST14-MATCHES.mgf0000777000000000000000000000000014767266337033120 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIST14-MATCHES.mgfustar rootrootinput_libraries/CASMI.mgf0000777000000000000000000000000014767266337027266 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/CASMI.mgfustar rootrootinput_libraries/HCE-CELL-LYSATE-LIPIDS.mgf0000777000000000000000000000000014767266337033770 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/HCE-CELL-LYSATE-LIPIDS.mgfustar rootrootinput_libraries/UM-NPDC.mgf0000777000000000000000000000000014767266337027704 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/UM-NPDC.mgfustar rootrootinput_libraries/BERKELEY-LAB.mgf0000777000000000000000000000000014767266337031172 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/BERKELEY-LAB.mgfustar rootrootinput_libraries/MSNLIB-NEGATIVE.mgf0000777000000000000000000000000014767266337032146 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MSNLIB-NEGATIVE.mgfustar rootrootinput_libraries/MONA.mgf0000777000000000000000000000000014767266337027062 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MONA.mgfustar rootroot././@LongLink0000644000000000000000000000015200000000000011600 Kustar rootroot/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE.mgfinput_libraries/GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE.mgf0000777000000000000000000000000014767266337043047 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVustar rootrootinput_libraries/AASDB.mgf0000777000000000000000000000000014767266337027222 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/AASDB.mgfustar rootrootinput_libraries/GNPS-NIH-CLINICALCOLLECTION2.mgf0000777000000000000000000000000014767266337035570 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-CLINICALCOLLECTION2.mgfustar rootrootinput_libraries/GNPS-SELLECKCHEM-FDA-PART1.mgf0000777000000000000000000000000014767266337035000 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-SELLECKCHEM-FDA-PART1.mgfustar rootrootinput_libraries/MASSBANKEU.mgf0000777000000000000000000000000014767266337030660 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MASSBANKEU.mgfustar rootrootinput_libraries/SUMNER.mgf0000777000000000000000000000000014767266337027620 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/SUMNER.mgfustar rootrootinput_libraries/GNPS-COLLECTIONS-MISC.mgf0000777000000000000000000000000014767266337033726 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-COLLECTIONS-MISC.mgfustar rootrootinput_libraries/ECG-ACYL-ESTERS-C4-C24-LIBRARY.mgf0000777000000000000000000000000014767266337035644 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/ECG-ACYL-ESTERS-C4-C24-LIBRARY.mgfustar rootrootinput_libraries/DEREPLICATOR_IDENTIFIED_LIBRARY.mgf0000777000000000000000000000000014767266337037050 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/DEREPLICATOR_IDENTIFIED_LIBRARY.mgfustar rootrootinput_libraries/BILELIB19.mgf0000777000000000000000000000000014767266337030226 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/BILELIB19.mgfustar rootrootinput_libraries/GNPS-NIH-NATURALPRODUCTSLIBRARY.mgf0000777000000000000000000000000014767266337036776 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-NATURALPRODUCTSLIBRARY.mgfustar rootrootinput_libraries/MSNLIB-POSITIVE.mgf0000777000000000000000000000000014767266337032246 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MSNLIB-POSITIVE.mgfustar rootrootinput_libraries/LDB_POSITIVE.mgf0000777000000000000000000000000014767266337031444 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/LDB_POSITIVE.mgfustar rootrootinput_libraries/TUEBINGEN-NATURAL-PRODUCT-COLLECTION.mgf0000777000000000000000000000000014767266337040164 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/TUEBINGEN-NATURAL-PRODUCT-COLLECTION.mgfustar rootrootinput_libraries/MIADB.mgf0000777000000000000000000000000014767266337027226 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MIADB.mgfustar rootrootinput_libraries/PSU-MSMLS.mgf0000777000000000000000000000000014767266337030476 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/PSU-MSMLS.mgfustar rootrootinput_libraries/GNPS-PRESTWICKPHYTOCHEM.mgf0000777000000000000000000000000014767266337034600 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-PRESTWICKPHYTOCHEM.mgfustar rootroot././@LongLink0000644000000000000000000000015200000000000011600 Kustar rootroot/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE.mgfinput_libraries/GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE.mgf0000777000000000000000000000000014767266337042747 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVustar rootrootinput_libraries/ECRFS_DB.mgf0000777000000000000000000000000014767266337030214 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/ECRFS_DB.mgfustar rootrootinput_libraries/GNPS-LIBRARY.mgf0000777000000000000000000000000014767266337031320 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-LIBRARY.mgfustar rootrootinput_libraries/ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf0000777000000000000000000000000014767266337035536 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgfustar rootrootinput_libraries/DRUGS-OF-ABUSE-LIBRARY.mgf0000777000000000000000000000000014767266337034050 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/DRUGS-OF-ABUSE-LIBRARY.mgfustar rootroot././@LongLink0000644000000000000000000000015000000000000011576 Kustar rootroot/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE.mgfinput_libraries/GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE.mgf0000777000000000000000000000000014767266337042160 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE.ustar rootrootinput_libraries/MCE-DRUG.mgf0000777000000000000000000000000014767266337030104 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MCE-DRUG.mgfustar rootrootinput_libraries/RESPECT.mgf0000777000000000000000000000000014767266337030010 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/RESPECT.mgfustar rootrootinput_libraries/PNNL-LIPIDS-NEGATIVE.mgf0000777000000000000000000000000014767266337033460 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/PNNL-LIPIDS-NEGATIVE.mgfustar rootrootinput_libraries/DMIM-DRUG-METABOLITE-LIBRARY.mgf0000777000000000000000000000000014767266337035622 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/DMIM-DRUG-METABOLITE-LIBRARY.mgfustar rootrootinput_libraries/GNPS-IOBA-NHC.mgf0000777000000000000000000000000014767266337031350 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-IOBA-NHC.mgfustar rootrootinput_libraries/GNPS-EMBL-MCF.mgf0000777000000000000000000000000014767266337031354 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-EMBL-MCF.mgfustar rootrootinput_libraries/IQAMDB.mgf0000777000000000000000000000000014767266337027470 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/IQAMDB.mgfustar rootrootinput_libraries/LEAFBOT.mgf0000777000000000000000000000000014767266337027726 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/LEAFBOT.mgfustar rootrootinput_libraries/MMV_NEGATIVE.mgf0000777000000000000000000000000014767266337031440 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MMV_NEGATIVE.mgfustar rootrootinput_libraries/MASSBANK.mgf0000777000000000000000000000000014767266337030174 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MASSBANK.mgfustar rootrootinput_libraries/GNPS-SCIEX-LIBRARY.mgf0000777000000000000000000000000014767266337033042 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-SCIEX-LIBRARY.mgfustar rootrootinput_libraries/BIRMINGHAM-UHPLC-MS-NEG.mgf0000777000000000000000000000000014767266337034222 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/BIRMINGHAM-UHPLC-MS-NEG.mgfustar rootrootinput_libraries/GNPS-COLLECTIONS-PESTICIDES-POSITIVE.mgf0000777000000000000000000000000014767266337040230 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-COLLECTIONS-PESTICIDES-POSITIVE.mgfustar rootrootinput_libraries/XANTHONES-DB.mgf0000777000000000000000000000000014767266337031262 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/XANTHONES-DB.mgfustar rootrootinput_libraries/GNPS-NUTRI-METAB-FEM-NEG.mgf0000777000000000000000000000000014767266337034416 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NUTRI-METAB-FEM-NEG.mgfustar rootrootinput_libraries/PNNL-LIPIDS-POSITIVE.mgf0000777000000000000000000000000014767266337033560 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/PNNL-LIPIDS-POSITIVE.mgfustar rootrootinput_libraries/NEO-MSMS.mgf0000777000000000000000000000000014767266337030172 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/NEO-MSMS.mgfustar rootrootinput_libraries/GNPS-SAM-SIK-KANG-LEGACY-LIBRARY.mgf0000777000000000000000000000000014767266337036564 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-SAM-SIK-KANG-LEGACY-LIBRARY.mgfustar rootrootinput_libraries/GNPS-NIH-CLINICALCOLLECTION1.mgf0000777000000000000000000000000014767266337035566 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-CLINICALCOLLECTION1.mgfustar rootrootinput_libraries/GNPS-SELLECKCHEM-FDA-PART2.mgf0000777000000000000000000000000014767266337035002 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-SELLECKCHEM-FDA-PART2.mgfustar rootrootinput_libraries/GNPS-NUTRI-METAB-FEM-POS.mgf0000777000000000000000000000000014767266337034476 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NUTRI-METAB-FEM-POS.mgfustar rootrootinput_libraries/CMMC-FOOD-BIOMARKERS.mgf0000777000000000000000000000000014767266337033376 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/CMMC-FOOD-BIOMARKERS.mgfustar rootrootinput_libraries/ELIXDB-LICHEN-DATABASE.mgf0000777000000000000000000000000014767266337033720 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/ELIXDB-LICHEN-DATABASE.mgfustar rootrootinput_libraries/GNPS-D2-AMINO-LIPID-LIBRARY.mgf0000777000000000000000000000000014767266337035226 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-D2-AMINO-LIPID-LIBRARY.mgfustar rootrootinput_libraries/GNPS-N-ACYL-LIPIDS-MASSQL.mgf0000777000000000000000000000000014767266337034716 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-N-ACYL-LIPIDS-MASSQL.mgfustar rootrootinput_libraries/BIRMINGHAM-UHPLC-MS-POS.mgf0000777000000000000000000000000014767266337034302 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/BIRMINGHAM-UHPLC-MS-POS.mgfustar rootrootinput_libraries/GNPS-COLLECTIONS-PESTICIDES-NEGATIVE.mgf0000777000000000000000000000000014767266337040130 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-COLLECTIONS-PESTICIDES-NEGATIVE.mgfustar rootrootinput_libraries/GNPS-MSMLS.mgf0000777000000000000000000000000014767266337030676 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-MSMLS.mgfustar rootrootinput_libraries/BMDMS-NP.mgf0000777000000000000000000000000014767266337030130 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/BMDMS-NP.mgfustar rootrootinput_libraries/MMV_POSITIVE.mgf0000777000000000000000000000000014767266337031540 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MMV_POSITIVE.mgfustar rootrootinput_libraries/PHENOLICSDB.mgf0000777000000000000000000000000014767266337031062 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/PHENOLICSDB.mgfustar rootrootinput_libraries/HMDB.mgf0000777000000000000000000000000014767266337027022 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/HMDB.mgfustar rootrootinput_raw_spectra/0000755000000000000000000000000014767266337013332 5ustar rootrootinput_supplemental_edges/0000755000000000000000000000000014767266337014700 5ustar rootrootinputfeatures/0000755000000000000000000000000014767266337012477 5ustar rootroot././@LongLink0000644000000000000000000000014700000000000011604 Kustar rootroot/data/nf_data/useruploads/pmallard/MAPP/mapp_project_00055/mapp_batch_00154/mapp_batch_00154_quant.csvinputfeatures/mapp_batch_00154_quant.csv0000777000000000000000000000000014767266337041001 2/data/nf_data/useruploads/pmallard/MAPP/mapp_project_00055/mapp_batch_00154/mapp_batch_00154_quant.custar rootrootinputspectra/0000755000000000000000000000000014767266337012322 5ustar rootrootinputspectra/mapp_batch_00154.mgf0000777000000000000000000000000014767266337036511 2/data/nf_data/useruploads/pmallard/MAPP/mapp_project_00055/mapp_batch_00154/mapp_batch_00154.mgfustar rootrootjob_dag.html0000644000000000000000000000464414767267033012056 0ustar rootroot 
flowchart TB
    subgraph " "
    v0["Channel.fromPath"]
    v1["ready"]
    v4["Channel.fromPath"]
    v5["Channel.fromPath"]
    v9["Channel.fromPath"]
    v24["Channel.fromPath"]
    v29["Channel.fromPath"]
    end
    v2([filesummary])
    subgraph " "
    v3[" "]
    v8["_spectra_reformatted_ch2"]
    v31[" "]
    v32[" "]
    v34[" "]
    end
    v6([quantification_table_reformatted])
    v7([filter_spectra])
    v10([librarySearchData])
    v12([librarymergeResults])
    v14([summaryLibrary])
    v17([librarygetGNPSAnnotations])
    v19([networkingGNPSPrepParams])
    v21([calculatePairs])
    v23([filterNetwork])
    v26([createMetadataFile])
    v27([calculateGroupings])
    v28([enrichClusterSummary])
    v30([createNetworkGraphML])
    v33([createTallRawData])
    v11(( ))
    v13(( ))
    v15(( ))
    v18(( ))
    v20(( ))
    v22(( ))
    v25(( ))
    v0 --> v2
    v0 --> v33
    v1 --> v2
    v2 --> v3
    v4 --> v6
    v5 --> v6
    v6 --> v7
    v6 --> v27
    v6 --> v33
    v7 --> v8
    v7 --> v10
    v7 --> v19
    v7 --> v21
    v9 --> v10
    v9 --> v14
    v10 --> v11
    v11 --> v12
    v12 --> v13
    v14 --> v15
    v13 --> v17
    v15 --> v17
    v17 --> v18
    v19 --> v20
    v20 --> v21
    v21 --> v22
    v22 --> v23
    v23 --> v28
    v23 --> v30
    v24 --> v25
    v25 --> v26
    v26 --> v27
    v27 --> v28
    v18 --> v28
    v28 --> v30
    v29 --> v30
    v18 --> v30
    v30 --> v32
    v30 --> v31
    v33 --> v34
job_parameters.yaml0000644000000000000000000000263614767266337013471 0ustar rootrootOMETAFLOW_SERVER: http://ometaflow-launchserver:4000 OMETALIBRARY_SERVER: http://ometalibrary-web:5000/library OMETAMASST_SERVER: http://ometamasst-web:5000/masst OMETATASK: b947d7e448bf4954b6cb0eef4076fe8c OMETAUSER: pmallard create_time: 2025-03-21 06:37:38 PDT-0700 description: FBMN_mapp_batch_00154 featurefindingtool: MZMINE fragment_tolerance: '0.1' input_libraries: /data/nf_data/server/nf_tasks/b947d7e448bf4954b6cb0eef4076fe8c/input_libraries input_raw_spectra: NO_FILE input_supplemental_edges: NO_FILE inputfeatures: /data/nf_data/server/nf_tasks/b947d7e448bf4954b6cb0eef4076fe8c/inputfeatures/mapp_batch_00154_quant.csv inputspectra: /data/nf_data/server/nf_tasks/b947d7e448bf4954b6cb0eef4076fe8c/inputspectra library_analog_max_shift: '1999' library_analog_search: '0' library_min_cosine: '0.6' library_min_matched_peaks: '6' library_topk: '1' metadata_filename: /data/nf_data/server/nf_tasks/b947d7e448bf4954b6cb0eef4076fe8c/metadata_filename/mapp_batch_00154_metadata.tsv networking_max_shift: '1999' networking_min_cosine: '0.7' networking_min_matched_peaks: '6' normalization: None pm_tolerance: '0.1' precursor_filter: '1' publishdir: /data/nf_data/server/nf_tasks/b947d7e448bf4954b6cb0eef4076fe8c task: b947d7e448bf4954b6cb0eef4076fe8c topology_maxcomponent: '100' topology_topk: '10' window_filter: '1' workflow_version: SERVER:2025.02.12;WORKFLOW:2025.01.24 workflowname: feature_based_molecular_networking_workflow job_report.html0000644000000000000000001377065614767267033012657 0ustar rootroot [fervent_maxwell] Nextflow Workflow Report

Nextflow workflow report

[fervent_maxwell]

Workflow execution completed successfully!
Run times
21-Mar-2025 13:37:42 - 21-Mar-2025 13:42:54 (duration: 5m 11s)
  141 succeeded  
  0 cached  
  0 ignored  
  0 failed  
Nextflow command
nextflow run /app/workflows_user/feature_based_molecular_networking_workflow/nf_workflow.nf -params-file /data/nf_data/server/nf_tasks/b947d7e448bf4954b6cb0eef4076fe8c/job_parameters.yaml -w /data/nf_data/server/nf_work/b947d7e448bf4954b6cb0eef4076fe8c -with-report /data/nf_data/server/nf_tasks/b947d7e448bf4954b6cb0eef4076fe8c/job_report.html -with-timeline /data/nf_data/server/nf_tasks/b947d7e448bf4954b6cb0eef4076fe8c/job_timeline.html -with-dag /data/nf_data/server/nf_tasks/b947d7e448bf4954b6cb0eef4076fe8c/job_dag.html -with-weblog 'http://localhost:4000/nf_weblog/b947d7e448bf4954b6cb0eef4076fe8c' -c /app/launchserver/nextflow_slurm.config
CPU-Hours
0.3
Launch directory
/data/nf_data/server/nf_tasks/b947d7e448bf4954b6cb0eef4076fe8c
Work directory
/data/nf_data/server/nf_work/b947d7e448bf4954b6cb0eef4076fe8c
Project directory
/app/workflows_user/feature_based_molecular_networking_workflow
Script name
nf_workflow.nf
Script ID
b2294b5da7da718e7287b0a5638fc910
Workflow session
5b0be6e3-7fa9-4650-8ec5-25cb7e9b8368
Workflow profile
standard
Nextflow version
version 24.04.4, build 5917 (01-08-2024 07:05 UTC)

Resource Usage

These plots give an overview of the distribution of resource usage for each process.

CPU

Memory

Job Duration

I/O

Tasks

This table shows information about each task in the workflow. Use the search box on the right to filter rows for specific values. Clicking headers will sort the table by that value and scrolling side to side will reveal more columns.

(tasks table omitted because the dataset is too big)
job_timeline.html0000644000000000000000000107170114767267033013130 0ustar rootroot

Processes execution timeline

Launch time:
Elapsed time:
Legend: job wall time / memory usage (RAM)

metadata_filename/0000755000000000000000000000000014767266337013221 5ustar rootroot././@LongLink0000644000000000000000000000015200000000000011600 Kustar rootroot/data/nf_data/useruploads/pmallard/MAPP/mapp_project_00055/mapp_batch_00154/mapp_batch_00154_metadata.tsvmetadata_filename/mapp_batch_00154_metadata.tsv0000777000000000000000000000000014767266337042242 2/data/nf_data/useruploads/pmallard/MAPP/mapp_project_00055/mapp_batch_00154/mapp_batch_00154_metadatustar rootrootnextflow_stdout.log0000644000000000000000000011736214767267033013560 0ustar rootroot N E X T F L O W ~ version 24.04.4 Launching `/app/workflows_user/feature_based_molecular_networking_workflow/nf_workflow.nf` [fervent_maxwell] DSL2 - revision: b2294b5da7 WARN: java.net.ConnectException: Connection refused [- ] filesummary - [- ] qua…fication_table_reformatted - [- ] filter_spectra - [- ] librarySearchData - [- ] librarymergeResults - [- ] filesummary - [- ] qua…fication_table_reformatted - [- ] filter_spectra - [- ] librarySearchData - [- ] librarymergeResults - [- ] summaryLibrary - [- ] librarygetGNPSAnnotations - [- ] networkingGNPSPrepParams - [- ] calculatePairs - [- ] filterNetwork - [- ] createMetadataFile - [- ] calculateGroupings - [- ] enrichClusterSummary - [- ] createNetworkGraphML - [- ] createTallRawData - [- ] filesummary | 0 of 1 [- ] qua…fication_table_reformatted | 0 of 1 [- ] filter_spectra - [- ] librarySearchData - [- ] librarymergeResults - [- ] summaryLibrary | 0 of 42 [- ] librarygetGNPSAnnotations - [- ] networkingGNPSPrepParams - [- ] calculatePairs - [- ] filterNetwork - [- ] createMetadataFile | 0 of 1 [- ] calculateGroupings - [- ] enrichClusterSummary - [- ] createNetworkGraphML - [- ] createTallRawData - executor > slurm (9) [c5/3d6491] filesummary (1) | 0 of 1 [- ] qua…fication_table_reformatted | 0 of 1 [- ] filter_spectra - [- ] librarySearchData - [- ] librarymergeResults - [06/187692] summaryLibrary (13) | 0 of 64 [- ] librarygetGNPSAnnotations - [- ] networkingGNPSPrepParams - [- ] calculatePairs - [- ] filterNetwork - [1c/253b74] createMetadataFile | 0 of 1 [- ] calculateGroupings - [- ] enrichClusterSummary - [- ] createNetworkGraphML - [- ] createTallRawData - executor > slurm (18) [c5/3d6491] filesummary (1) | 0 of 1 [- ] qua…fication_table_reformatted | 0 of 1 [- ] filter_spectra - [- ] librarySearchData - [- ] librarymergeResults - [33/0adff3] summaryLibrary (18) | 0 of 64 [- ] librarygetGNPSAnnotations - [- ] networkingGNPSPrepParams - [- ] calculatePairs - [- ] filterNetwork - [1c/253b74] createMetadataFile | 0 of 1 [- ] calculateGroupings - [- ] enrichClusterSummary - [- ] createNetworkGraphML - [- ] createTallRawData - executor > slurm (28) [c5/3d6491] filesummary (1) | 0 of 1 [9e/05bfad] qua…tion_table_reformatted (1) | 0 of 1 [- ] filter_spectra - [- ] librarySearchData - [- ] librarymergeResults - [66/20dee7] summaryLibrary (23) | 0 of 64 [- ] librarygetGNPSAnnotations - [- ] networkingGNPSPrepParams - [- ] calculatePairs - [- ] filterNetwork - [1c/253b74] createMetadataFile | 0 of 1 [- ] calculateGroupings - [- ] enrichClusterSummary - [- ] createNetworkGraphML - [- ] createTallRawData - executor > slurm (37) [c5/3d6491] filesummary (1) | 0 of 1 [9e/05bfad] qua…tion_table_reformatted (1) | 0 of 1 [- ] filter_spectra - [- ] librarySearchData - [- ] librarymergeResults - [1b/2c8057] summaryLibrary (28) | 0 of 64 [- ] librarygetGNPSAnnotations - [- ] networkingGNPSPrepParams - [- ] calculatePairs - [- ] filterNetwork - [1c/253b74] createMetadataFile | 0 of 1 [- ] calculateGroupings - [- ] enrichClusterSummary - [- ] createNetworkGraphML - [- ] createTallRawData - executor > slurm (46) [c5/3d6491] filesummary (1) | 0 of 1 [9e/05bfad] qua…tion_table_reformatted (1) | 0 of 1 [- ] filter_spectra - [- ] librarySearchData - [- ] librarymergeResults - [f2/866a07] summaryLibrary (40) | 0 of 64 [- ] librarygetGNPSAnnotations - [- ] networkingGNPSPrepParams - [- ] calculatePairs - [- ] filterNetwork - [1c/253b74] createMetadataFile | 0 of 1 [- ] calculateGroupings - [- ] enrichClusterSummary - [- ] createNetworkGraphML - [- ] createTallRawData - executor > slurm (55) [c5/3d6491] filesummary (1) | 0 of 1 [9e/05bfad] qua…tion_table_reformatted (1) | 0 of 1 [- ] filter_spectra - [- ] librarySearchData - [- ] librarymergeResults - [6e/66082c] summaryLibrary (51) | 0 of 64 [- ] librarygetGNPSAnnotations - [- ] networkingGNPSPrepParams - [- ] calculatePairs - [- ] filterNetwork - [1c/253b74] createMetadataFile | 0 of 1 [- ] calculateGroupings - [- ] enrichClusterSummary - [- ] createNetworkGraphML - [- ] createTallRawData - executor > slurm (63) [c5/3d6491] filesummary (1) | 0 of 1 [9e/05bfad] qua…tion_table_reformatted (1) | 0 of 1 [- ] filter_spectra - [- ] librarySearchData - [- ] librarymergeResults - [76/f9c79b] summaryLibrary (60) | 0 of 64 [- ] librarygetGNPSAnnotations - [- ] networkingGNPSPrepParams - [- ] calculatePairs - [- ] filterNetwork - [1c/253b74] createMetadataFile | 0 of 1 [- ] calculateGroupings - [- ] enrichClusterSummary - [- ] createNetworkGraphML - [- ] createTallRawData - executor > slurm (67) [c5/3d6491] filesummary (1) | 0 of 1 [9e/05bfad] qua…tion_table_reformatted (1) | 0 of 1 [- ] filter_spectra - [- ] librarySearchData - [- ] librarymergeResults - [d0/1fed48] summaryLibrary (63) | 0 of 64 [- ] librarygetGNPSAnnotations - [- ] networkingGNPSPrepParams - [- ] calculatePairs - [- ] filterNetwork - [1c/253b74] createMetadataFile | 0 of 1 [- ] calculateGroupings - [- ] enrichClusterSummary - [- ] createNetworkGraphML - [- ] createTallRawData - executor > slurm (67) [c5/3d6491] filesummary (1) | 0 of 1 [9e/05bfad] qua…tion_table_reformatted (1) | 0 of 1 [- ] filter_spectra - [- ] librarySearchData - [- ] librarymergeResults - [d0/1fed48] summaryLibrary (63) | 0 of 64 [- ] librarygetGNPSAnnotations - [- ] networkingGNPSPrepParams - [- ] calculatePairs - [- ] filterNetwork - [1c/253b74] createMetadataFile | 0 of 1 [- ] calculateGroupings - [- ] enrichClusterSummary - [- ] createNetworkGraphML - [- ] createTallRawData - executor > slurm (68) [c5/3d6491] filesummary (1) | 0 of 1 [9e/05bfad] qua…tion_table_reformatted (1) | 1 of 1 ✔ [- ] filter_spectra | 0 of 1 [- ] librarySearchData - [- ] librarymergeResults - [ef/9e9fc4] summaryLibrary (15) | 14 of 64 [- ] librarygetGNPSAnnotations - [- ] networkingGNPSPrepParams - [- ] calculatePairs - [- ] filterNetwork - [1c/253b74] createMetadataFile | 1 of 1 ✔ [bd/c89a5f] calculateGroupings (1) | 0 of 1 [- ] enrichClusterSummary - [- ] createNetworkGraphML - [- ] createTallRawData | 0 of 1 executor > slurm (70) [c5/3d6491] filesummary (1) | 0 of 1 [9e/05bfad] qua…tion_table_reformatted (1) | 1 of 1 ✔ [e4/49a58b] filter_spectra (1) | 0 of 1 [- ] librarySearchData - [- ] librarymergeResults - [ef/9e9fc4] summaryLibrary (15) | 14 of 64 [- ] librarygetGNPSAnnotations - [- ] networkingGNPSPrepParams - [- ] calculatePairs - [- ] filterNetwork - [1c/253b74] createMetadataFile | 1 of 1 ✔ [bd/c89a5f] calculateGroupings (1) | 0 of 1 [- ] enrichClusterSummary - [- ] createNetworkGraphML - [d8/12f757] createTallRawData (1) | 0 of 1 executor > slurm (70) [c5/3d6491] filesummary (1) | 1 of 1 ✔ [9e/05bfad] qua…tion_table_reformatted (1) | 1 of 1 ✔ [e4/49a58b] filter_spectra (1) | 0 of 1 [- ] librarySearchData - [- ] librarymergeResults - [1d/fdb43c] summaryLibrary (25) | 21 of 64 [- ] librarygetGNPSAnnotations - [- ] networkingGNPSPrepParams - [- ] calculatePairs - [- ] filterNetwork - [1c/253b74] createMetadataFile | 1 of 1 ✔ [bd/c89a5f] calculateGroupings (1) | 0 of 1 [- ] enrichClusterSummary - [- ] createNetworkGraphML - [d8/12f757] createTallRawData (1) | 0 of 1 executor > slurm (71) [c5/3d6491] filesummary (1) | 1 of 1 ✔ [9e/05bfad] qua…tion_table_reformatted (1) | 1 of 1 ✔ [e4/49a58b] filter_spectra (1) | 1 of 1 ✔ [- ] librarySearchData - [- ] librarymergeResults - [d0/1fed48] summaryLibrary (63) | 56 of 64 [- ] librarygetGNPSAnnotations - [33/1f32c7] networkingGNPSPrepParams (1) | 0 of 1 [- ] calculatePairs - [- ] filterNetwork - [1c/253b74] createMetadataFile | 1 of 1 ✔ [bd/c89a5f] calculateGroupings (1) | 0 of 1 [- ] enrichClusterSummary - [- ] createNetworkGraphML - [d8/12f757] createTallRawData (1) | 1 of 1 ✔ executor > slurm (73) [c5/3d6491] filesummary (1) | 1 of 1 ✔ [9e/05bfad] qua…tion_table_reformatted (1) | 1 of 1 ✔ [e4/49a58b] filter_spectra (1) | 1 of 1 ✔ [fe/bf00fd] librarySearchData (12) | 0 of 56 [- ] librarymergeResults - [d0/1fed48] summaryLibrary (63) | 56 of 64 [- ] librarygetGNPSAnnotations - [33/1f32c7] networkingGNPSPrepParams (1) | 0 of 1 [- ] calculatePairs - [- ] filterNetwork - [1c/253b74] createMetadataFile | 1 of 1 ✔ [bd/c89a5f] calculateGroupings (1) | 0 of 1 [- ] enrichClusterSummary - [- ] createNetworkGraphML - [d8/12f757] createTallRawData (1) | 1 of 1 ✔ executor > slurm (77) [c5/3d6491] filesummary (1) | 1 of 1 ✔ [9e/05bfad] qua…tion_table_reformatted (1) | 1 of 1 ✔ [e4/49a58b] filter_spectra (1) | 1 of 1 ✔ [63/61172b] librarySearchData (13) | 0 of 64 [- ] librarymergeResults - [d0/1fed48] summaryLibrary (63) | 56 of 64 [- ] librarygetGNPSAnnotations - [33/1f32c7] networkingGNPSPrepParams (1) | 0 of 1 [- ] calculatePairs - [- ] filterNetwork - [1c/253b74] createMetadataFile | 1 of 1 ✔ [bd/c89a5f] calculateGroupings (1) | 0 of 1 [- ] enrichClusterSummary - [- ] createNetworkGraphML - [d8/12f757] createTallRawData (1) | 1 of 1 ✔ executor > slurm (82) [c5/3d6491] filesummary (1) | 1 of 1 ✔ [9e/05bfad] qua…tion_table_reformatted (1) | 1 of 1 ✔ [e4/49a58b] filter_spectra (1) | 1 of 1 ✔ [09/95cb60] librarySearchData (8) | 0 of 64 [- ] librarymergeResults - [d0/1fed48] summaryLibrary (63) | 56 of 64 [- ] librarygetGNPSAnnotations - [33/1f32c7] networkingGNPSPrepParams (1) | 0 of 1 [- ] calculatePairs - [- ] filterNetwork - [1c/253b74] createMetadataFile | 1 of 1 ✔ [bd/c89a5f] calculateGroupings (1) | 0 of 1 [- ] enrichClusterSummary - [- ] createNetworkGraphML - [d8/12f757] createTallRawData (1) | 1 of 1 ✔ executor > slurm (88) [c5/3d6491] filesummary (1) | 1 of 1 ✔ [9e/05bfad] qua…tion_table_reformatted (1) | 1 of 1 ✔ [e4/49a58b] filter_spectra (1) | 1 of 1 ✔ [4e/9bf3cd] librarySearchData (15) | 0 of 64 [- ] librarymergeResults - [d0/1fed48] summaryLibrary (63) | 56 of 64 [- ] librarygetGNPSAnnotations - [33/1f32c7] networkingGNPSPrepParams (1) | 0 of 1 [- ] calculatePairs - [- ] filterNetwork - [1c/253b74] createMetadataFile | 1 of 1 ✔ [bd/c89a5f] calculateGroupings (1) | 0 of 1 [- ] enrichClusterSummary - [- ] createNetworkGraphML - [d8/12f757] createTallRawData (1) | 1 of 1 ✔ executor > slurm (93) [c5/3d6491] filesummary (1) | 1 of 1 ✔ [9e/05bfad] qua…tion_table_reformatted (1) | 1 of 1 ✔ [e4/49a58b] filter_spectra (1) | 1 of 1 ✔ [5a/402c2d] librarySearchData (24) | 0 of 64 [- ] librarymergeResults - [d0/1fed48] summaryLibrary (63) | 56 of 64 [- ] librarygetGNPSAnnotations - [33/1f32c7] networkingGNPSPrepParams (1) | 0 of 1 [- ] calculatePairs - [- ] filterNetwork - [1c/253b74] createMetadataFile | 1 of 1 ✔ [bd/c89a5f] calculateGroupings (1) | 0 of 1 [- ] enrichClusterSummary - [- ] createNetworkGraphML - [d8/12f757] createTallRawData (1) | 1 of 1 ✔ executor > slurm (102) [c5/3d6491] filesummary (1) | 1 of 1 ✔ [9e/05bfad] qua…tion_table_reformatted (1) | 1 of 1 ✔ [e4/49a58b] filter_spectra (1) | 1 of 1 ✔ [31/db9bbe] librarySearchData (21) | 0 of 64 [- ] librarymergeResults - [d0/1fed48] summaryLibrary (63) | 56 of 64 [- ] librarygetGNPSAnnotations - [33/1f32c7] networkingGNPSPrepParams (1) | 0 of 1 [- ] calculatePairs - [- ] filterNetwork - [1c/253b74] createMetadataFile | 1 of 1 ✔ [bd/c89a5f] calculateGroupings (1) | 0 of 1 [- ] enrichClusterSummary - [- ] createNetworkGraphML - [d8/12f757] createTallRawData (1) | 1 of 1 ✔ executor > slurm (111) [c5/3d6491] filesummary (1) | 1 of 1 ✔ [9e/05bfad] qua…tion_table_reformatted (1) | 1 of 1 ✔ [e4/49a58b] filter_spectra (1) | 1 of 1 ✔ [49/31ebd1] librarySearchData (39) | 0 of 64 [- ] librarymergeResults - [d0/1fed48] summaryLibrary (63) | 56 of 64 [- ] librarygetGNPSAnnotations - [33/1f32c7] networkingGNPSPrepParams (1) | 0 of 1 [- ] calculatePairs - [- ] filterNetwork - [1c/253b74] createMetadataFile | 1 of 1 ✔ [bd/c89a5f] calculateGroupings (1) | 0 of 1 [- ] enrichClusterSummary - [- ] createNetworkGraphML - [d8/12f757] createTallRawData (1) | 1 of 1 ✔ executor > slurm (120) [c5/3d6491] filesummary (1) | 1 of 1 ✔ [9e/05bfad] qua…tion_table_reformatted (1) | 1 of 1 ✔ [e4/49a58b] filter_spectra (1) | 1 of 1 ✔ [dd/58196b] librarySearchData (46) | 0 of 64 [- ] librarymergeResults - [d0/1fed48] summaryLibrary (63) | 56 of 64 [- ] librarygetGNPSAnnotations - [33/1f32c7] networkingGNPSPrepParams (1) | 0 of 1 [- ] calculatePairs - [- ] filterNetwork - [1c/253b74] createMetadataFile | 1 of 1 ✔ [bd/c89a5f] calculateGroupings (1) | 0 of 1 [- ] enrichClusterSummary - [- ] createNetworkGraphML - [d8/12f757] createTallRawData (1) | 1 of 1 ✔ executor > slurm (127) [c5/3d6491] filesummary (1) | 1 of 1 ✔ [9e/05bfad] qua…tion_table_reformatted (1) | 1 of 1 ✔ [e4/49a58b] filter_spectra (1) | 1 of 1 ✔ [ad/8a454a] librarySearchData (56) | 0 of 64 [- ] librarymergeResults - [d0/1fed48] summaryLibrary (63) | 56 of 64 [- ] librarygetGNPSAnnotations - [33/1f32c7] networkingGNPSPrepParams (1) | 0 of 1 [- ] calculatePairs - [- ] filterNetwork - [1c/253b74] createMetadataFile | 1 of 1 ✔ [bd/c89a5f] calculateGroupings (1) | 0 of 1 [- ] enrichClusterSummary - [- ] createNetworkGraphML - [d8/12f757] createTallRawData (1) | 1 of 1 ✔ executor > slurm (134) [c5/3d6491] filesummary (1) | 1 of 1 ✔ [9e/05bfad] qua…tion_table_reformatted (1) | 1 of 1 ✔ [e4/49a58b] filter_spectra (1) | 1 of 1 ✔ [8a/6c03e3] librarySearchData (64) | 0 of 64 [- ] librarymergeResults - [d0/1fed48] summaryLibrary (63) | 56 of 64 [- ] librarygetGNPSAnnotations - [33/1f32c7] networkingGNPSPrepParams (1) | 0 of 1 [- ] calculatePairs - [- ] filterNetwork - [1c/253b74] createMetadataFile | 1 of 1 ✔ [bd/c89a5f] calculateGroupings (1) | 0 of 1 [- ] enrichClusterSummary - [- ] createNetworkGraphML - [d8/12f757] createTallRawData (1) | 1 of 1 ✔ executor > slurm (135) [c5/3d6491] filesummary (1) | 1 of 1 ✔ [9e/05bfad] qua…tion_table_reformatted (1) | 1 of 1 ✔ [e4/49a58b] filter_spectra (1) | 1 of 1 ✔ [39/a01b0d] librarySearchData (62) | 0 of 64 [- ] librarymergeResults - [d0/1fed48] summaryLibrary (63) | 56 of 64 [- ] librarygetGNPSAnnotations - [33/1f32c7] networkingGNPSPrepParams (1) | 0 of 1 [- ] calculatePairs - [- ] filterNetwork - [1c/253b74] createMetadataFile | 1 of 1 ✔ [bd/c89a5f] calculateGroupings (1) | 0 of 1 [- ] enrichClusterSummary - [- ] createNetworkGraphML - [d8/12f757] createTallRawData (1) | 1 of 1 ✔ executor > slurm (135) [c5/3d6491] filesummary (1) | 1 of 1 ✔ [9e/05bfad] qua…tion_table_reformatted (1) | 1 of 1 ✔ [e4/49a58b] filter_spectra (1) | 1 of 1 ✔ [39/a01b0d] librarySearchData (62) | 0 of 64 [- ] librarymergeResults - [85/b1a47c] summaryLibrary (48) | 62 of 64 [- ] librarygetGNPSAnnotations - [33/1f32c7] networkingGNPSPrepParams (1) | 0 of 1 [- ] calculatePairs - [- ] filterNetwork - [1c/253b74] createMetadataFile | 1 of 1 ✔ [bd/c89a5f] calculateGroupings (1) | 0 of 1 ✔ [- ] enrichClusterSummary - [- ] createNetworkGraphML - [d8/12f757] createTallRawData (1) | 1 of 1 ✔ executor > slurm (136) [c5/3d6491] filesummary (1) | 1 of 1 ✔ [9e/05bfad] qua…tion_table_reformatted (1) | 1 of 1 ✔ [e4/49a58b] filter_spectra (1) | 1 of 1 ✔ [33/dd6def] librarySearchData (28) | 1 of 64 [- ] librarymergeResults - [47/40da34] summaryLibrary (61) | 63 of 64 [- ] librarygetGNPSAnnotations - [33/1f32c7] networkingGNPSPrepParams (1) | 1 of 1 ✔ [5f/09dfcf] calculatePairs (1) | 0 of 1 [- ] filterNetwork - [1c/253b74] createMetadataFile | 1 of 1 ✔ [bd/c89a5f] calculateGroupings (1) | 1 of 1 ✔ [- ] enrichClusterSummary - [- ] createNetworkGraphML - [d8/12f757] createTallRawData (1) | 1 of 1 ✔ executor > slurm (136) [c5/3d6491] filesummary (1) | 1 of 1 ✔ [9e/05bfad] qua…tion_table_reformatted (1) | 1 of 1 ✔ [e4/49a58b] filter_spectra (1) | 1 of 1 ✔ [33/dd6def] librarySearchData (28) | 1 of 64 [- ] librarymergeResults - [47/40da34] summaryLibrary (61) | 63 of 64 [- ] librarygetGNPSAnnotations - [33/1f32c7] networkingGNPSPrepParams (1) | 1 of 1 ✔ [5f/09dfcf] calculatePairs (1) | 0 of 1 [- ] filterNetwork - [1c/253b74] createMetadataFile | 1 of 1 ✔ [bd/c89a5f] calculateGroupings (1) | 1 of 1 ✔ [- ] enrichClusterSummary - [- ] createNetworkGraphML - [d8/12f757] createTallRawData (1) | 1 of 1 ✔ executor > slurm (136) [c5/3d6491] filesummary (1) | 1 of 1 ✔ [9e/05bfad] qua…tion_table_reformatted (1) | 1 of 1 ✔ [e4/49a58b] filter_spectra (1) | 1 of 1 ✔ [33/dd6def] librarySearchData (28) | 1 of 64 [- ] librarymergeResults - [47/40da34] summaryLibrary (61) | 63 of 64 [- ] librarygetGNPSAnnotations - [33/1f32c7] networkingGNPSPrepParams (1) | 1 of 1 ✔ [5f/09dfcf] calculatePairs (1) | 0 of 1 [- ] filterNetwork - [1c/253b74] createMetadataFile | 1 of 1 ✔ [bd/c89a5f] calculateGroupings (1) | 1 of 1 ✔ [- ] enrichClusterSummary - [- ] createNetworkGraphML - [d8/12f757] createTallRawData (1) | 1 of 1 ✔ executor > slurm (136) [c5/3d6491] filesummary (1) | 1 of 1 ✔ [9e/05bfad] qua…tion_table_reformatted (1) | 1 of 1 ✔ [e4/49a58b] filter_spectra (1) | 1 of 1 ✔ [8a/6c03e3] librarySearchData (64) | 41 of 64 [- ] librarymergeResults - [97/c18171] summaryLibrary (9) | 64 of 64 ✔ [- ] librarygetGNPSAnnotations - [33/1f32c7] networkingGNPSPrepParams (1) | 1 of 1 ✔ [5f/09dfcf] calculatePairs (1) | 1 of 1 ✔ [- ] filterNetwork | 0 of 1 [1c/253b74] createMetadataFile | 1 of 1 ✔ [bd/c89a5f] calculateGroupings (1) | 1 of 1 ✔ [- ] enrichClusterSummary - [- ] createNetworkGraphML - [d8/12f757] createTallRawData (1) | 1 of 1 ✔ executor > slurm (137) [c5/3d6491] filesummary (1) | 1 of 1 ✔ [9e/05bfad] qua…tion_table_reformatted (1) | 1 of 1 ✔ [e4/49a58b] filter_spectra (1) | 1 of 1 ✔ [8a/6c03e3] librarySearchData (64) | 41 of 64 [- ] librarymergeResults - [97/c18171] summaryLibrary (9) | 64 of 64 ✔ [- ] librarygetGNPSAnnotations - [33/1f32c7] networkingGNPSPrepParams (1) | 1 of 1 ✔ [5f/09dfcf] calculatePairs (1) | 1 of 1 ✔ [e6/907a51] filterNetwork (1) | 0 of 1 [1c/253b74] createMetadataFile | 1 of 1 ✔ [bd/c89a5f] calculateGroupings (1) | 1 of 1 ✔ [- ] enrichClusterSummary - [- ] createNetworkGraphML - [d8/12f757] createTallRawData (1) | 1 of 1 ✔ executor > slurm (137) [c5/3d6491] filesummary (1) | 1 of 1 ✔ [9e/05bfad] qua…tion_table_reformatted (1) | 1 of 1 ✔ [e4/49a58b] filter_spectra (1) | 1 of 1 ✔ [28/9537eb] librarySearchData (51) | 48 of 64 [- ] librarymergeResults - [97/c18171] summaryLibrary (9) | 64 of 64 ✔ [- ] librarygetGNPSAnnotations - [33/1f32c7] networkingGNPSPrepParams (1) | 1 of 1 ✔ [5f/09dfcf] calculatePairs (1) | 1 of 1 ✔ [e6/907a51] filterNetwork (1) | 1 of 1 ✔ [1c/253b74] createMetadataFile | 1 of 1 ✔ [bd/c89a5f] calculateGroupings (1) | 1 of 1 ✔ [- ] enrichClusterSummary - [- ] createNetworkGraphML - [d8/12f757] createTallRawData (1) | 1 of 1 ✔ executor > slurm (137) [c5/3d6491] filesummary (1) | 1 of 1 ✔ [9e/05bfad] qua…tion_table_reformatted (1) | 1 of 1 ✔ [e4/49a58b] filter_spectra (1) | 1 of 1 ✔ [70/4ed642] librarySearchData (54) | 53 of 64 [- ] librarymergeResults - [97/c18171] summaryLibrary (9) | 64 of 64 ✔ [- ] librarygetGNPSAnnotations - [33/1f32c7] networkingGNPSPrepParams (1) | 1 of 1 ✔ [5f/09dfcf] calculatePairs (1) | 1 of 1 ✔ [e6/907a51] filterNetwork (1) | 1 of 1 ✔ [1c/253b74] createMetadataFile | 1 of 1 ✔ [bd/c89a5f] calculateGroupings (1) | 1 of 1 ✔ [- ] enrichClusterSummary - [- ] createNetworkGraphML - [d8/12f757] createTallRawData (1) | 1 of 1 ✔ executor > slurm (137) [c5/3d6491] filesummary (1) | 1 of 1 ✔ [9e/05bfad] qua…tion_table_reformatted (1) | 1 of 1 ✔ [e4/49a58b] filter_spectra (1) | 1 of 1 ✔ [ea/609b43] librarySearchData (42) | 54 of 64 [- ] librarymergeResults - [97/c18171] summaryLibrary (9) | 64 of 64 ✔ [- ] librarygetGNPSAnnotations - [33/1f32c7] networkingGNPSPrepParams (1) | 1 of 1 ✔ [5f/09dfcf] calculatePairs (1) | 1 of 1 ✔ [e6/907a51] filterNetwork (1) | 1 of 1 ✔ [1c/253b74] createMetadataFile | 1 of 1 ✔ [bd/c89a5f] calculateGroupings (1) | 1 of 1 ✔ [- ] enrichClusterSummary - [- ] createNetworkGraphML - [d8/12f757] createTallRawData (1) | 1 of 1 ✔ executor > slurm (137) [c5/3d6491] filesummary (1) | 1 of 1 ✔ [9e/05bfad] qua…tion_table_reformatted (1) | 1 of 1 ✔ [e4/49a58b] filter_spectra (1) | 1 of 1 ✔ [7c/8ceaba] librarySearchData (61) | 56 of 64 [- ] librarymergeResults - [97/c18171] summaryLibrary (9) | 64 of 64 ✔ [- ] librarygetGNPSAnnotations - [33/1f32c7] networkingGNPSPrepParams (1) | 1 of 1 ✔ [5f/09dfcf] calculatePairs (1) | 1 of 1 ✔ [e6/907a51] filterNetwork (1) | 1 of 1 ✔ [1c/253b74] createMetadataFile | 1 of 1 ✔ [bd/c89a5f] calculateGroupings (1) | 1 of 1 ✔ [- ] enrichClusterSummary - [- ] createNetworkGraphML - [d8/12f757] createTallRawData (1) | 1 of 1 ✔ executor > slurm (137) [c5/3d6491] filesummary (1) | 1 of 1 ✔ [9e/05bfad] qua…tion_table_reformatted (1) | 1 of 1 ✔ [e4/49a58b] filter_spectra (1) | 1 of 1 ✔ [c9/8db5c3] librarySearchData (19) | 57 of 64 [- ] librarymergeResults - [97/c18171] summaryLibrary (9) | 64 of 64 ✔ [- ] librarygetGNPSAnnotations - [33/1f32c7] networkingGNPSPrepParams (1) | 1 of 1 ✔ [5f/09dfcf] calculatePairs (1) | 1 of 1 ✔ [e6/907a51] filterNetwork (1) | 1 of 1 ✔ [1c/253b74] createMetadataFile | 1 of 1 ✔ [bd/c89a5f] calculateGroupings (1) | 1 of 1 ✔ [- ] enrichClusterSummary - [- ] createNetworkGraphML - [d8/12f757] createTallRawData (1) | 1 of 1 ✔ executor > slurm (137) [c5/3d6491] filesummary (1) | 1 of 1 ✔ [9e/05bfad] qua…tion_table_reformatted (1) | 1 of 1 ✔ [e4/49a58b] filter_spectra (1) | 1 of 1 ✔ [a5/5a8df7] librarySearchData (20) | 58 of 64 [- ] librarymergeResults - [97/c18171] summaryLibrary (9) | 64 of 64 ✔ [- ] librarygetGNPSAnnotations - [33/1f32c7] networkingGNPSPrepParams (1) | 1 of 1 ✔ [5f/09dfcf] calculatePairs (1) | 1 of 1 ✔ [e6/907a51] filterNetwork (1) | 1 of 1 ✔ [1c/253b74] createMetadataFile | 1 of 1 ✔ [bd/c89a5f] calculateGroupings (1) | 1 of 1 ✔ [- ] enrichClusterSummary - [- ] createNetworkGraphML - [d8/12f757] createTallRawData (1) | 1 of 1 ✔ executor > slurm (137) [c5/3d6491] filesummary (1) | 1 of 1 ✔ [9e/05bfad] qua…tion_table_reformatted (1) | 1 of 1 ✔ [e4/49a58b] filter_spectra (1) | 1 of 1 ✔ [45/f91758] librarySearchData (32) | 60 of 64 [- ] librarymergeResults - [97/c18171] summaryLibrary (9) | 64 of 64 ✔ [- ] librarygetGNPSAnnotations - [33/1f32c7] networkingGNPSPrepParams (1) | 1 of 1 ✔ [5f/09dfcf] calculatePairs (1) | 1 of 1 ✔ [e6/907a51] filterNetwork (1) | 1 of 1 ✔ [1c/253b74] createMetadataFile | 1 of 1 ✔ [bd/c89a5f] calculateGroupings (1) | 1 of 1 ✔ [- ] enrichClusterSummary - [- ] createNetworkGraphML - [d8/12f757] createTallRawData (1) | 1 of 1 ✔ executor > slurm (137) [c5/3d6491] filesummary (1) | 1 of 1 ✔ [9e/05bfad] qua…tion_table_reformatted (1) | 1 of 1 ✔ [e4/49a58b] filter_spectra (1) | 1 of 1 ✔ [31/db9bbe] librarySearchData (21) | 61 of 64 [- ] librarymergeResults - [97/c18171] summaryLibrary (9) | 64 of 64 ✔ [- ] librarygetGNPSAnnotations - [33/1f32c7] networkingGNPSPrepParams (1) | 1 of 1 ✔ [5f/09dfcf] calculatePairs (1) | 1 of 1 ✔ [e6/907a51] filterNetwork (1) | 1 of 1 ✔ [1c/253b74] createMetadataFile | 1 of 1 ✔ [bd/c89a5f] calculateGroupings (1) | 1 of 1 ✔ [- ] enrichClusterSummary - [- ] createNetworkGraphML - [d8/12f757] createTallRawData (1) | 1 of 1 ✔ WARN: java.net.ConnectException: Connection refused executor > slurm (137) [c5/3d6491] filesummary (1) | 1 of 1 ✔ [9e/05bfad] qua…tion_table_reformatted (1) | 1 of 1 ✔ [e4/49a58b] filter_spectra (1) | 1 of 1 ✔ [bc/b27a2b] librarySearchData (36) | 62 of 64 [- ] librarymergeResults - [97/c18171] summaryLibrary (9) | 64 of 64 ✔ [- ] librarygetGNPSAnnotations - [33/1f32c7] networkingGNPSPrepParams (1) | 1 of 1 ✔ [5f/09dfcf] calculatePairs (1) | 1 of 1 ✔ [e6/907a51] filterNetwork (1) | 1 of 1 ✔ [1c/253b74] createMetadataFile | 1 of 1 ✔ [bd/c89a5f] calculateGroupings (1) | 1 of 1 ✔ [- ] enrichClusterSummary - [- ] createNetworkGraphML - [d8/12f757] createTallRawData (1) | 1 of 1 ✔ WARN: java.net.ConnectException: Connection refused executor > slurm (137) [c5/3d6491] filesummary (1) | 1 of 1 ✔ [9e/05bfad] qua…tion_table_reformatted (1) | 1 of 1 ✔ [e4/49a58b] filter_spectra (1) | 1 of 1 ✔ [cd/f7396d] librarySearchData (29) | 63 of 64 [- ] librarymergeResults - [97/c18171] summaryLibrary (9) | 64 of 64 ✔ [- ] librarygetGNPSAnnotations - [33/1f32c7] networkingGNPSPrepParams (1) | 1 of 1 ✔ [5f/09dfcf] calculatePairs (1) | 1 of 1 ✔ [e6/907a51] filterNetwork (1) | 1 of 1 ✔ [1c/253b74] createMetadataFile | 1 of 1 ✔ [bd/c89a5f] calculateGroupings (1) | 1 of 1 ✔ [- ] enrichClusterSummary - [- ] createNetworkGraphML - [d8/12f757] createTallRawData (1) | 1 of 1 ✔ WARN: java.net.ConnectException: Connection refused executor > slurm (137) [c5/3d6491] filesummary (1) | 1 of 1 ✔ [9e/05bfad] qua…tion_table_reformatted (1) | 1 of 1 ✔ [e4/49a58b] filter_spectra (1) | 1 of 1 ✔ [48/b87ec2] librarySearchData (9) | 64 of 64 ✔ [- ] librarymergeResults - [97/c18171] summaryLibrary (9) | 64 of 64 ✔ [- ] librarygetGNPSAnnotations - [33/1f32c7] networkingGNPSPrepParams (1) | 1 of 1 ✔ [5f/09dfcf] calculatePairs (1) | 1 of 1 ✔ [e6/907a51] filterNetwork (1) | 1 of 1 ✔ [1c/253b74] createMetadataFile | 1 of 1 ✔ [bd/c89a5f] calculateGroupings (1) | 1 of 1 ✔ [- ] enrichClusterSummary - [- ] createNetworkGraphML - [d8/12f757] createTallRawData (1) | 1 of 1 ✔ WARN: java.net.ConnectException: Connection refused executor > slurm (138) [c5/3d6491] filesummary (1) | 1 of 1 ✔ [9e/05bfad] qua…tion_table_reformatted (1) | 1 of 1 ✔ [e4/49a58b] filter_spectra (1) | 1 of 1 ✔ [48/b87ec2] librarySearchData (9) | 64 of 64 ✔ [c3/80c97e] librarymergeResults | 0 of 1 [97/c18171] summaryLibrary (9) | 64 of 64 ✔ [- ] librarygetGNPSAnnotations - [33/1f32c7] networkingGNPSPrepParams (1) | 1 of 1 ✔ [5f/09dfcf] calculatePairs (1) | 1 of 1 ✔ [e6/907a51] filterNetwork (1) | 1 of 1 ✔ [1c/253b74] createMetadataFile | 1 of 1 ✔ [bd/c89a5f] calculateGroupings (1) | 1 of 1 ✔ [- ] enrichClusterSummary - [- ] createNetworkGraphML - [d8/12f757] createTallRawData (1) | 1 of 1 ✔ WARN: java.net.ConnectException: Connection refused executor > slurm (139) [c5/3d6491] filesummary (1) | 1 of 1 ✔ [9e/05bfad] qua…tion_table_reformatted (1) | 1 of 1 ✔ [e4/49a58b] filter_spectra (1) | 1 of 1 ✔ [48/b87ec2] librarySearchData (9) | 64 of 64 ✔ [c3/80c97e] librarymergeResults | 1 of 1 ✔ [97/c18171] summaryLibrary (9) | 64 of 64 ✔ [7b/261e4b] librarygetGNPSAnnotations (1) | 0 of 1 [33/1f32c7] networkingGNPSPrepParams (1) | 1 of 1 ✔ [5f/09dfcf] calculatePairs (1) | 1 of 1 ✔ [e6/907a51] filterNetwork (1) | 1 of 1 ✔ [1c/253b74] createMetadataFile | 1 of 1 ✔ [bd/c89a5f] calculateGroupings (1) | 1 of 1 ✔ [- ] enrichClusterSummary - [- ] createNetworkGraphML - [d8/12f757] createTallRawData (1) | 1 of 1 ✔ WARN: java.net.ConnectException: Connection refused executor > slurm (139) [c5/3d6491] filesummary (1) | 1 of 1 ✔ [9e/05bfad] qua…tion_table_reformatted (1) | 1 of 1 ✔ [e4/49a58b] filter_spectra (1) | 1 of 1 ✔ [48/b87ec2] librarySearchData (9) | 64 of 64 ✔ [c3/80c97e] librarymergeResults | 1 of 1 ✔ [97/c18171] summaryLibrary (9) | 64 of 64 ✔ [7b/261e4b] librarygetGNPSAnnotations (1) | 0 of 1 [33/1f32c7] networkingGNPSPrepParams (1) | 1 of 1 ✔ [5f/09dfcf] calculatePairs (1) | 1 of 1 ✔ [e6/907a51] filterNetwork (1) | 1 of 1 ✔ [1c/253b74] createMetadataFile | 1 of 1 ✔ [bd/c89a5f] calculateGroupings (1) | 1 of 1 ✔ [- ] enrichClusterSummary - [- ] createNetworkGraphML - [d8/12f757] createTallRawData (1) | 1 of 1 ✔ WARN: java.net.ConnectException: Connection refused executor > slurm (140) [c5/3d6491] filesummary (1) | 1 of 1 ✔ [9e/05bfad] qua…tion_table_reformatted (1) | 1 of 1 ✔ [e4/49a58b] filter_spectra (1) | 1 of 1 ✔ [48/b87ec2] librarySearchData (9) | 64 of 64 ✔ [c3/80c97e] librarymergeResults | 1 of 1 ✔ [97/c18171] summaryLibrary (9) | 64 of 64 ✔ [7b/261e4b] librarygetGNPSAnnotations (1) | 1 of 1 ✔ [33/1f32c7] networkingGNPSPrepParams (1) | 1 of 1 ✔ [5f/09dfcf] calculatePairs (1) | 1 of 1 ✔ [e6/907a51] filterNetwork (1) | 1 of 1 ✔ [1c/253b74] createMetadataFile | 1 of 1 ✔ [bd/c89a5f] calculateGroupings (1) | 1 of 1 ✔ [9f/382b10] enrichClusterSummary (1) | 0 of 1 [- ] createNetworkGraphML - [d8/12f757] createTallRawData (1) | 1 of 1 ✔ WARN: java.net.ConnectException: Connection refused executor > slurm (141) [c5/3d6491] filesummary (1) | 1 of 1 ✔ [9e/05bfad] qua…tion_table_reformatted (1) | 1 of 1 ✔ [e4/49a58b] filter_spectra (1) | 1 of 1 ✔ [48/b87ec2] librarySearchData (9) | 64 of 64 ✔ [c3/80c97e] librarymergeResults | 1 of 1 ✔ [97/c18171] summaryLibrary (9) | 64 of 64 ✔ [7b/261e4b] librarygetGNPSAnnotations (1) | 1 of 1 ✔ [33/1f32c7] networkingGNPSPrepParams (1) | 1 of 1 ✔ [5f/09dfcf] calculatePairs (1) | 1 of 1 ✔ [e6/907a51] filterNetwork (1) | 1 of 1 ✔ [1c/253b74] createMetadataFile | 1 of 1 ✔ [bd/c89a5f] calculateGroupings (1) | 1 of 1 ✔ [9f/382b10] enrichClusterSummary (1) | 1 of 1 ✔ [37/84bd8f] createNetworkGraphML (1) | 0 of 1 [d8/12f757] createTallRawData (1) | 1 of 1 ✔ WARN: java.net.ConnectException: Connection refused executor > slurm (141) [c5/3d6491] filesummary (1) | 1 of 1 ✔ [9e/05bfad] qua…tion_table_reformatted (1) | 1 of 1 ✔ [e4/49a58b] filter_spectra (1) | 1 of 1 ✔ [48/b87ec2] librarySearchData (9) | 64 of 64 ✔ [c3/80c97e] librarymergeResults | 1 of 1 ✔ [97/c18171] summaryLibrary (9) | 64 of 64 ✔ [7b/261e4b] librarygetGNPSAnnotations (1) | 1 of 1 ✔ [33/1f32c7] networkingGNPSPrepParams (1) | 1 of 1 ✔ [5f/09dfcf] calculatePairs (1) | 1 of 1 ✔ [e6/907a51] filterNetwork (1) | 1 of 1 ✔ [1c/253b74] createMetadataFile | 1 of 1 ✔ [bd/c89a5f] calculateGroupings (1) | 1 of 1 ✔ [9f/382b10] enrichClusterSummary (1) | 1 of 1 ✔ [37/84bd8f] createNetworkGraphML (1) | 1 of 1 ✔ [d8/12f757] createTallRawData (1) | 1 of 1 ✔ WARN: java.net.ConnectException: Connection refused executor > slurm (141) [c5/3d6491] filesummary (1) | 1 of 1 ✔ [9e/05bfad] qua…tion_table_reformatted (1) | 1 of 1 ✔ [e4/49a58b] filter_spectra (1) | 1 of 1 ✔ [48/b87ec2] librarySearchData (9) | 64 of 64 ✔ [c3/80c97e] librarymergeResults | 1 of 1 ✔ [97/c18171] summaryLibrary (9) | 64 of 64 ✔ [7b/261e4b] librarygetGNPSAnnotations (1) | 1 of 1 ✔ [33/1f32c7] networkingGNPSPrepParams (1) | 1 of 1 ✔ [5f/09dfcf] calculatePairs (1) | 1 of 1 ✔ [e6/907a51] filterNetwork (1) | 1 of 1 ✔ [1c/253b74] createMetadataFile | 1 of 1 ✔ [bd/c89a5f] calculateGroupings (1) | 1 of 1 ✔ [9f/382b10] enrichClusterSummary (1) | 1 of 1 ✔ [37/84bd8f] createNetworkGraphML (1) | 1 of 1 ✔ [d8/12f757] createTallRawData (1) | 1 of 1 ✔ WARN: java.net.ConnectException: Connection refused Completed at: 21-Mar-2025 13:42:54 Duration : 5m 12s CPU hours : 0.3 Succeeded : 141 nf_cmd.sh0000644000000000000000000000120114767266337011355 0ustar rootrootnextflow run /app/workflows_user/feature_based_molecular_networking_workflow/nf_workflow.nf -params-file /data/nf_data/server/nf_tasks/b947d7e448bf4954b6cb0eef4076fe8c/job_parameters.yaml -w /data/nf_data/server/nf_work/b947d7e448bf4954b6cb0eef4076fe8c -with-report /data/nf_data/server/nf_tasks/b947d7e448bf4954b6cb0eef4076fe8c/job_report.html -with-timeline /data/nf_data/server/nf_tasks/b947d7e448bf4954b6cb0eef4076fe8c/job_timeline.html -with-dag /data/nf_data/server/nf_tasks/b947d7e448bf4954b6cb0eef4076fe8c/job_dag.html -with-weblog http://localhost:4000/nf_weblog/b947d7e448bf4954b6cb0eef4076fe8c -c /app/launchserver/nextflow.confignf_output/0000755000000000000000000000000014767267013011614 5ustar rootrootnf_output/GNPS-FAULKNERLEGACY.mgf.tsv0000644000000000000000000000000114767266351015756 0ustar rootroot nf_output/PNNL-LIPIDS-NEGATIVE.mgf.tsv0000644000000000000000000000000114767266356016053 0ustar rootroot nf_output/TUEBINGEN-NATURAL-PRODUCT-COLLECTION.mgf.tsv0000644000000000000000000000000114767266356020315 0ustar rootroot nf_output/PSU-MSMLS.mgf.tsv0000644000000000000000000000000114767266356014462 0ustar rootroot nf_output/BIRMINGHAM-UHPLC-MS-NEG.mgf.tsv0000644000000000000000000000000114767266356016334 0ustar rootroot nf_output/MSNLIB-POSITIVE.mgf.tsv0000644000000000000000000000000114767266363015344 0ustar rootroot nf_output/LEAFBOT.mgf.tsv0000644000000000000000000000000114767266356014176 0ustar rootroot nf_output/GNPS-LIBRARY.mgf.tsv0000644000000000000000000000000114767266363014771 0ustar rootroot nf_output/GNPS-PRESTWICKPHYTOCHEM.mgf.tsv0000644000000000000000000000000114767266356016523 0ustar rootroot nf_output/clustering/0000755000000000000000000000000014767266356014004 5ustar rootrootnf_output/clustering/featuretable_reformated.csv0000644000000000000000000017152414767266351021401 0ustar rootrootrow ID,row m/z,row retention time,intensity_measure,ion_mobility,ion_mobility_unit,ccs,correlation group ID,annotation network number,best ion,auto MS2 verify,identified by n=,partners,neutral M mass,250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML Peak area,250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML Peak area,250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML Peak area,250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML Peak area,250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML Peak area,250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML Peak area,250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML Peak area,250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML Peak area,250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML Peak area,250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML Peak area,250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML Peak area,250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML Peak area,250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML Peak area,250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML Peak area,250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML Peak area,250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML Peak area,250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML Peak area,Unnamed: 30 1,93.03385290447436,1.3726889,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,58113.215,74241.53,0.0,57411.43,0.0,0.0,0.0,0.0, 2,342.2282842200452,1.3893917,height,,,,,,,,,,,0.0,0.0,0.0,64574.824,100815.234,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 3,774.5279624210174,1.4256333,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,58638.254,0.0,0.0,0.0, 4,414.1218492977562,1.4882333,height,,,,,,,,,,,0.0,0.0,0.0,0.0,115235.445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 5,314.1968815601056,1.4933132,height,,,,,,,,,,,90897.32,54265.414,179193.69,299848.4,760102.94,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 6,201.0761274655518,1.533225,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,89749.28,56365.457,0.0, 7,217.10738466723123,1.5635065,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,94641.59,0.0,182357.2,58983.223,252606.67,228826.58,0.0, 8,93.04496836540216,1.59925,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,58292.51,0.0,0.0,0.0, 9,272.1496694202024,1.62595,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,67443.09,0.0,0.0, 10,802.5603771415259,1.6640555,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,58121.242,50486.69,0.0,0.0,0.0,96071.53,0.0,0.0,0.0, 11,178.05023404461056,1.6760334,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,52914.49,0.0, 12,188.94898253557048,1.7026334,height,,,,,,,,,,,0.0,0.0,55451.85,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 13,204.12365316668223,1.7026334,height,,,,,,,,,,,0.0,0.0,116381.49,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 14,293.17860481195504,1.708019,height,,,,,,,,,,,103322.914,83897.445,56248.297,138827.52,59502.656,85658.3,83536.625,77723.49,54101.297,104517.81,52944.69,108709.04,78880.51,56968.406,134089.0,0.0,0.0, 15,776.5433957777306,1.751811,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,55008.695,0.0,0.0,50917.33,0.0,88271.914,0.0,0.0,0.0, 16,774.5288730138618,1.76045,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,75147.625,63161.582,55565.49,57457.33,73480.69,133993.0,0.0,0.0,0.0, 17,309.1736714811531,1.7619792,height,,,,,,,,,,,102318.86,67081.31,0.0,173161.44,55085.203,118724.24,107389.414,117900.66,0.0,88720.22,0.0,161652.2,54981.79,55468.977,129445.79,0.0,0.0, 18,353.1994786176988,1.798662,height,,,,,,,,,,,62698.254,0.0,0.0,102777.76,0.0,77676.055,71090.805,72129.81,0.0,0.0,0.0,97578.5,0.0,0.0,82139.6,0.0,0.0, 19,202.1078766798916,1.80035,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,158207.78,0.0,0.0, 20,397.22625990072027,1.8235583,height,,,,,,,,,,,0.0,0.0,0.0,58480.992,0.0,0.0,0.0,0.0,0.0,0.0,0.0,53630.45,0.0,0.0,0.0,0.0,0.0, 21,171.06571659654227,1.827863,height,,,,,,,,,,,99249.305,92138.94,70084.74,105343.32,120627.125,50290.957,0.0,52310.85,98577.04,0.0,80756.086,111011.945,86875.51,124416.61,87322.48,108306.84,0.0, 22,127.07591121213706,1.8292907,height,,,,,,,,,,,61849.023,59637.3,0.0,68142.9,77200.28,0.0,0.0,0.0,63700.742,0.0,52344.016,72306.375,55824.75,79681.81,56612.266,69521.836,0.0, 23,258.1340381334496,1.8461833,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,62352.926,0.0,0.0, 24,316.2126434271194,1.8711833,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,65808.945,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 25,89.0235512311677,1.8853583,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,61339.156,58139.37,0.0, 26,244.11833914250303,1.8909167,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,75244.86,0.0,0.0, 27,194.08163019411083,1.92555,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,97015.7,0.0,0.0, 28,111.0194360568886,1.9417667,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,68899.62,57129.82,0.0,0.0,0.0,65661.76,0.0,0.0,0.0, 29,167.03440596891804,1.9441166,height,,,,,,,,,,,0.0,84069.78,130567.64,76788.83,0.0,0.0,0.0,0.0,0.0,0.0,0.0,447724.88,164482.7,152936.34,90493.98,195386.67,0.0, 30,216.1234363986188,1.9783,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,80590.12,0.0,0.0, 31,216.94379145047068,2.0031228,height,,,,,,,,,,,58375.367,0.0,109718.17,0.0,75675.49,72541.36,88239.87,0.0,53857.688,59347.336,0.0,0.0,65573.734,0.0,0.0,0.0,0.0, 32,360.23881181531686,2.00415,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,88590.47,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 33,99.00803117810024,2.0057502,height,,,,,,,,,,,62999.176,64976.934,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 34,117.01877083220012,2.0078368,height,,,,,,,,,,,712822.5,724612.44,578060.4,0.0,291628.0,295860.38,529712.4,355807.2,332876.47,466058.84,387770.03,345359.7,521353.2,453247.0,464719.12,470951.4,0.0, 35,73.0285860830186,2.0082808,height,,,,,,,,,,,152965.53,156151.31,128375.734,0.0,0.0,70671.67,119727.02,81095.445,0.0,109518.95,90030.23,79744.17,115082.82,102098.82,104082.09,104873.984,0.0, 36,530.2785104120919,2.0152998,height,,,,,,,,,,,84526.96,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,67636.805,0.0,0.0, 37,318.02785704601115,2.0189166,height,,,,,,,,,,,0.0,0.0,62916.03,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 38,437.21358469950616,2.0189166,height,,,,,,,,,,,0.0,0.0,79999.19,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 39,218.1031052887504,2.024331,height,,,,,,,,,,,523790.84,630932.8,703405.25,693950.1,116641.664,115954.734,133615.75,91165.84,134797.8,244683.66,117045.46,78428.84,99565.54,0.0,249685.33,315298.88,0.0, 40,88.03967650136562,2.0265,height,,,,,,,,,,,0.0,63853.348,0.0,69352.07,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 41,742.5387858229274,2.043875,height,,,,,,,,,,,226267.8,196330.3,182248.64,227981.17,144278.39,202179.6,214317.48,150947.08,268131.22,261052.45,322092.75,250505.88,231010.7,371055.9,120556.76,123619.33,0.0, 42,716.522749977004,2.0675,height,,,,,,,,,,,690703.44,681661.8,613040.4,677733.56,391154.94,423736.88,645707.75,412718.06,569847.9,597619.3,713368.94,745057.8,552901.9,731771.94,333102.25,310753.62,0.0, 43,89.02355611082942,2.0678582,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,78083.79,66827.69,0.0, 44,195.06571730541225,2.0697334,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,60238.082,0.0,0.0, 45,360.2388161045092,2.0765834,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,203576.42,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 46,230.10263502127668,2.0879667,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,63334.414,0.0,0.0, 47,702.5076365968943,2.0886,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,52426.195,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 48,246.99120909765568,2.0927222,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,105128.71,91168.38,0.0,86787.17,0.0,0.0,0.0,0.0, 49,243.13437202348544,2.0970666,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,115374.0,0.0,0.0, 50,688.4919999607429,2.1007051,height,,,,,,,,,,,1055261.2,1021453.9,1142768.5,1224809.8,933114.7,1060675.5,1212915.5,768027.6,1013616.1,1035876.94,1253645.1,1153447.6,1406133.1,1488020.8,627569.4,602860.2,0.0, 51,660.4605446622179,2.128822,height,,,,,,,,,,,98346.03,106531.07,137304.3,175925.42,124216.41,134448.94,171454.84,132243.78,159820.95,142220.9,181893.55,139719.08,340666.47,299006.2,118854.12,104088.07,0.0, 52,201.07597957430923,2.177861,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,179183.89,366951.6,253098.28,0.0, 53,222.07630334541452,2.181225,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,209350.08,135731.44,0.0, 54,153.01862959637714,2.22745,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,77267.64,0.0, 55,403.1241872745805,2.2475874,height,,,,,,,,,,,0.0,0.0,0.0,81678.625,65924.74,0.0,0.0,0.0,0.0,93413.12,138118.22,0.0,0.0,0.0,0.0,0.0,0.0, 56,151.0395460357251,2.2482166,height,,,,,,,,,,,0.0,0.0,0.0,73161.66,0.0,0.0,0.0,0.0,0.0,0.0,97039.51,0.0,0.0,0.0,0.0,0.0,0.0, 57,349.06927581920576,2.2494724,height,,,,,,,,,,,0.0,0.0,0.0,66064.0,57690.36,0.0,0.0,0.0,0.0,0.0,98079.445,0.0,0.0,0.0,0.0,0.0,0.0, 58,359.09750936117143,2.2495408,height,,,,,,,,,,,169754.16,233079.34,270911.3,321742.97,216874.22,199139.36,167264.92,176129.8,67253.875,206381.88,427457.0,184284.5,293284.78,0.0,0.0,0.0,0.0, 59,89.02367397714102,2.2499542,height,,,,,,,,,,,0.0,52578.414,0.0,52120.05,0.0,0.0,0.0,0.0,0.0,64703.625,87880.49,0.0,0.0,0.0,0.0,0.0,0.0, 60,260.1495206114146,2.2600918,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,70061.92,80318.195,0.0,0.0, 61,208.06051489951616,2.2895334,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,75935.45,0.0,0.0, 62,229.1184198004067,2.297429,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,75464.19,204748.78,298178.97,204569.56,0.0, 63,285.0608566468509,2.3280666,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,63111.69,85756.8,0.0, 64,206.04552680170684,2.3593166,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,52164.992,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 65,241.0350635576058,2.3800666,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,66392.69,0.0,0.0, 66,566.3457974096141,2.42135,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,71152.83,0.0,0.0,0.0,0.0,0.0, 67,362.2442056064621,2.4242666,height,,,,,,,,,,,0.0,0.0,0.0,0.0,145805.62,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 68,160.03983663046114,2.44055,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,66845.57,0.0, 69,161.0449419243981,2.48759,height,,,,,,,,,,,0.0,54612.59,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,64235.7,0.0,96108.69,0.0,107064.43,99866.8,0.0, 70,336.22903204045184,2.5179167,height,,,,,,,,,,,0.0,0.0,0.0,0.0,127003.52,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 71,151.0606203206697,2.5271666,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,115502.47,0.0,0.0,0.0, 72,459.1136845440237,2.5279167,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,61896.324,0.0,109839.55,130398.25,0.0, 73,687.5440678824715,2.5327036,height,,,,,,,,,,,92523.08,83737.27,59143.324,101626.195,73780.91,95269.64,74928.06,58404.8,156279.83,155157.88,173317.73,135177.75,113708.5,165087.34,0.0,0.0,0.0, 74,165.0188311080946,2.5618834,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,56615.66,0.0,0.0, 75,659.5124284446764,2.5621688,height,,,,,,,,,,,140304.95,144834.94,113077.68,205062.66,94883.59,127579.57,112295.766,95274.82,222173.25,206276.03,240754.78,208700.3,229498.14,313941.66,0.0,0.0,0.0, 76,631.4810305663648,2.60535,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,58811.51,0.0,0.0,0.0, 77,246.134080266216,2.6086943,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,113628.836,256628.95,93570.99,0.0, 78,229.0710375000464,2.619675,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,95222.24,65214.258,0.0, 79,215.1030108191725,2.6454399,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,63589.52,0.0,88528.2,194632.33,235123.88,137893.89,0.0, 80,365.1633183905246,2.64855,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,77454.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 81,187.04110372360236,2.6628668,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,53423.33,0.0,0.0,0.0,0.0,0.0,110360.02,110487.46,0.0, 82,115.02029022867096,2.6806,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,50144.516,0.0,0.0, 83,463.10876429689966,2.6806,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,58167.105,0.0,0.0, 84,194.04522665628,2.7020664,height,,,,,,,,,,,0.0,0.0,0.0,102736.56,0.0,0.0,0.0,0.0,0.0,0.0,96748.98,0.0,89856.984,0.0,0.0,0.0,0.0, 85,191.07267377279115,2.7035,height,,,,,,,,,,,0.0,132299.1,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 86,189.05612915029147,2.703886,height,,,,,,,,,,,0.0,123733.31,0.0,0.0,0.0,0.0,0.0,0.0,61567.113,72325.21,104226.27,0.0,0.0,83028.45,100390.02,0.0,0.0, 87,205.049599795934,2.7047243,height,,,,,,,,,,,0.0,0.0,84215.77,0.0,0.0,70785.25,65734.08,63428.57,68630.69,65991.31,76188.66,77877.33,69368.79,0.0,0.0,0.0,0.0, 88,478.29335782667874,2.7097,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,73688.96,0.0,96880.66,0.0,0.0,0.0,0.0, 89,245.04647653186083,2.7155416,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,94241.08,60897.83,0.0, 90,217.0328329782935,2.7182,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,68469.32,0.0,0.0, 91,261.04062605310975,2.7182,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,55746.055,0.0,0.0, 92,173.02576793846893,2.7202168,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,86243.78,63749.598,0.0, 93,205.01392003485316,2.7220578,height,,,,,,,,,,,0.0,0.0,60486.605,51723.992,58006.895,58951.832,59693.535,62350.74,71843.84,59258.453,56338.617,61443.03,65755.95,62540.027,66832.195,81359.39,63826.914, 94,246.0437565312131,2.7296085,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,59157.848,55202.25,0.0, 95,203.0331934649314,2.7343335,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,167294.9,160054.75,0.0, 96,247.03641790824423,2.7391334,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,51352.457,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 97,478.29358068357527,2.7805529,height,,,,,,,,,,,60035.965,102355.805,94309.3,137966.84,57126.88,0.0,71886.2,0.0,91157.47,120876.54,90014.1,152393.06,95154.12,170612.36,0.0,0.0,0.0, 98,450.26276122576456,2.7924333,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,103431.555,0.0,0.0,0.0,0.0,0.0, 99,450.2623329483288,2.8485205,height,,,,,,,,,,,0.0,0.0,0.0,62558.625,71835.81,0.0,78040.66,0.0,74553.0,98375.58,58671.45,102982.86,83150.54,88740.07,0.0,0.0,0.0, 100,905.5637132131336,2.8517332,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,51767.234,0.0,51418.535,0.0,0.0,0.0, 101,452.2774502174688,2.8579333,height,,,,,,,,,,,136860.05,262524.94,252395.33,223240.55,51385.926,92574.66,70209.875,0.0,229593.89,335505.56,273940.38,568798.75,287708.5,472696.75,0.0,52626.496,0.0, 102,453.2809182724429,2.8586445,height,,,,,,,,,,,0.0,0.0,0.0,60398.87,0.0,0.0,0.0,0.0,63174.69,0.0,0.0,0.0,77341.484,0.0,0.0,0.0,0.0, 103,305.0683101668419,2.86956,height,,,,,,,,,,,0.0,60941.51,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,56864.754,93844.79,127967.195,127664.04,0.0, 104,187.04126450765307,2.8698082,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,119382.54,124456.76,0.0, 105,417.1031486293373,2.8980167,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,63552.15,0.0,0.0, 106,553.1767620418868,2.8980167,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,77364.29,0.0,0.0, 107,509.1503466515295,2.902425,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,83210.13,56908.098,0.0, 108,513.2188948283712,2.9071333,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,60763.54,0.0,0.0, 109,463.1090300636153,2.911446,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,51234.777,51925.254,159337.95,101519.836,0.0, 110,379.1606913172725,2.9115334,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,75482.09,61752.86,0.0, 111,424.24667016223407,2.9308333,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,53424.035,0.0,0.0,0.0, 112,287.16088355963427,2.942675,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,66257.625,123170.92,0.0,0.0, 113,151.02565353793702,2.960931,height,,,,,,,,,,,358271.5,174822.1,297066.72,80323.016,134826.12,301308.78,331152.5,396912.62,0.0,403592.56,130211.39,0.0,98359.586,149747.95,69507.5,0.0,0.0, 114,89.023644609207,2.96735,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,51116.016,50526.74,0.0, 115,135.03064799851376,2.9680166,height,,,,,,,,,,,55531.87,0.0,0.0,0.0,0.0,0.0,0.0,68179.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 116,299.0763710941055,2.999043,height,,,,,,,,,,,0.0,56201.797,70089.164,126820.61,0.0,0.0,0.0,70923.32,0.0,0.0,133814.4,52022.9,74091.77,0.0,0.0,0.0,0.0, 117,305.0693976881394,3.0389333,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,52044.438,0.0,0.0, 118,279.03816479439735,3.069239,height,,,,,,,,,,,62210.613,58752.645,0.0,57875.44,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 119,495.11752787468345,3.0693083,height,,,,,,,,,,,98186.6,102511.234,0.0,0.0,0.0,0.0,90394.875,0.0,115679.0,126286.664,0.0,0.0,0.0,123927.35,0.0,0.0,0.0, 120,200.0559653389267,3.069594,height,,,,,,,,,,,94287.914,95834.1,63140.816,98509.23,66066.51,0.0,73514.55,53049.855,71454.44,83083.52,0.0,0.0,74356.75,85461.44,55407.83,66270.51,0.0, 121,243.06151614759116,3.0696342,height,,,,,,,,,,,509179.94,513446.28,328623.78,526791.0,342122.2,325948.97,383345.06,280761.12,369085.2,440914.66,191577.16,143656.56,397599.84,446693.7,303626.6,347802.0,0.0, 122,254.0665093188214,3.081675,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,99993.62,56871.375,0.0, 123,441.161109644883,3.1197777,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,63255.336,127514.43,77608.82,0.0, 124,386.14498918221614,3.1430666,height,,,,,,,,,,,0.0,0.0,0.0,83474.11,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 125,423.0946742362405,3.1635807,height,,,,,,,,,,,0.0,0.0,175306.73,0.0,0.0,0.0,150847.31,121589.53,0.0,0.0,0.0,59035.906,213370.89,212653.28,0.0,0.0,0.0, 126,805.487208410837,3.1671333,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,93160.03,0.0,0.0,0.0, 127,808.5054019042612,3.1671333,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,53429.76,0.0,0.0,0.0, 128,431.1189294135333,3.212346,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,920532.7,735667.8,1870045.6,1458628.1,0.0, 129,494.1149903010408,3.2123778,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,54082.184,0.0,79735.19,58786.336,0.0, 130,863.2466333941438,3.212346,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,446544.8,298230.22,999725.0,769756.9,0.0, 131,201.08767626698824,3.2730463,height,,,,,,,,,,,157475.34,231135.67,151897.14,157821.98,85057.46,88917.8,98586.54,161071.66,67060.58,125614.766,138503.28,63351.83,214579.66,0.0,0.0,0.0,0.0, 132,181.07116378738937,3.2767832,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,56417.035,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 133,379.16044685174256,3.2937167,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,115142.33,105443.81,0.0, 134,425.1659360092301,3.2939835,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,79467.33,218688.5,203468.42,0.0, 135,415.13719069716257,3.2972667,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,56469.816,0.0,0.0, 136,442.155774968465,3.2983918,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,52776.02,54561.164,0.0, 137,508.2029935900176,3.3033278,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,135410.88,286215.78,105101.35,0.0, 138,233.0118147563065,3.30885,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,91579.79,0.0, 139,128.0347547953409,3.3096147,height,,,,,,,,,,,157670.34,517836.53,303628.88,202849.19,213666.06,119116.555,558199.4,300692.5,182454.7,381470.47,218004.34,229989.64,361649.84,181425.28,192236.11,151227.08,0.0, 140,227.95989955231545,3.3166084,height,,,,,,,,,,,0.0,65762.695,0.0,0.0,0.0,0.0,68790.63,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 141,279.0592001778712,3.3235333,height,,,,,,,,,,,0.0,55417.336,0.0,0.0,0.0,0.0,56409.97,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 142,338.10879131481295,3.3376334,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,52623.56,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 143,427.12655414683854,3.3376334,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,61436.953,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 144,510.1829772658847,3.34115,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,69928.4,0.0,0.0,0.0, 145,428.11891319497687,3.3887832,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,136388.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 146,283.0844953165966,3.3931668,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,75392.33,0.0, 147,299.076537947216,3.3932598,height,,,,,,,,,,,0.0,70368.11,0.0,0.0,58110.457,60876.914,77661.65,93414.18,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 148,188.05586985589076,3.4127185,height,,,,,,,,,,,73280.46,141588.97,103939.164,90765.41,0.0,0.0,82332.65,51137.6,0.0,0.0,0.0,0.0,61404.473,0.0,56633.504,56043.21,0.0, 149,417.1031192578657,3.4173584,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,127913.59,100231.5,225760.7,233821.1,0.0, 150,157.0137208641791,3.4216666,height,,,,,,,,,,,0.0,141190.69,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 151,175.02426445945224,3.4216666,height,,,,,,,,,,,0.0,106569.26,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 152,128.03483206810057,3.4975834,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,77429.38,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 153,389.107928268466,3.4981833,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,50722.844,0.0, 154,181.0711946932322,3.499129,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,77636.67,116378.33,78355.07,56320.574,0.0, 155,167.07076991550073,3.5078166,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,51116.582,0.0, 156,229.07116449741457,3.5078166,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,72079.93,0.0, 157,224.05584246171915,3.5101979,height,,,,,,,,,,,0.0,256096.38,81878.29,327114.16,142146.16,121557.99,70629.97,111328.9,97974.7,81754.12,649253.5,233769.14,607686.75,0.0,105676.78,91669.07,0.0, 158,194.04517579040763,3.5137749,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,79404.17,0.0,72659.76,0.0,0.0,0.0,0.0, 159,323.980758793017,3.5185165,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,88033.055,0.0,54909.184,0.0,0.0,0.0,0.0, 160,417.1031244283464,3.5503209,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,71392.37,59480.582,132054.56,137084.42,0.0, 161,243.0504114435401,3.63265,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,65573.6,126864.76,0.0, 162,265.08267086505225,3.6427999,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,168870.67,0.0,159548.94,0.0,0.0,0.0,0.0, 163,199.06057341944896,3.688,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,57923.746,0.0, 164,356.134749942328,3.703332,height,,,,,,,,,,,213345.17,302781.72,336565.94,435059.44,51342.965,87510.6,187651.61,185925.03,81672.06,87471.14,120722.76,159721.14,99952.2,147331.67,162262.5,139848.38,0.0, 165,419.1298477158531,3.7040455,height,,,,,,,,,,,157071.6,185848.22,206449.78,277612.44,0.0,76869.66,161029.25,137984.25,70986.8,88623.83,99836.37,128632.87,86344.766,101620.63,72266.35,62237.203,0.0, 166,194.08204788413832,3.7056668,height,,,,,,,,,,,0.0,0.0,0.0,65172.582,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 167,535.153498026724,3.7377152,height,,,,,,,,,,,53736.883,149438.03,86547.13,155867.75,91631.17,0.0,126882.94,105655.8,74730.21,0.0,0.0,77286.78,158213.56,191910.95,0.0,0.0,0.0, 168,267.0728731788562,3.7380428,height,,,,,,,,,,,308272.72,641486.0,425690.8,712774.9,448331.47,141048.3,580829.6,490927.7,387037.34,323460.12,419364.72,399893.3,702762.3,817348.94,542944.2,662479.06,0.0, 169,460.0941949935822,3.7703612,height,,,,,,,,,,,86319.65,89208.74,78211.42,85072.414,80625.63,104059.875,83360.22,55340.918,91122.3,82132.695,117785.516,93819.41,0.0,0.0,0.0,0.0,0.0, 170,597.3036309634889,3.795014,height,,,,,,,,,,,58336.254,84768.586,61459.465,62879.51,54772.17,0.0,80445.39,0.0,103098.234,145249.02,159859.28,144639.38,195695.8,150567.9,74181.96,0.0,0.0, 171,595.2880331927124,3.8294923,height,,,,,,,,,,,0.0,63602.43,53135.562,53836.24,0.0,0.0,66697.36,0.0,74421.03,98584.836,100018.375,128493.05,101325.484,0.0,0.0,0.0,0.0, 172,569.272570164922,3.881628,height,,,,,,,,,,,56167.17,60203.2,51610.887,50146.21,0.0,0.0,54947.34,0.0,0.0,0.0,0.0,0.0,58573.03,0.0,0.0,0.0,0.0, 173,443.1039304657232,3.904469,height,,,,,,,,,,,69851.55,73462.79,67158.12,0.0,56027.184,97421.75,0.0,0.0,80809.766,0.0,104435.95,73799.96,0.0,0.0,0.0,0.0,0.0, 174,460.0941466113717,3.9059274,height,,,,,,,,,,,198511.03,192201.1,188693.1,201423.81,159820.4,256075.94,181825.72,115597.61,222378.64,219194.89,290822.88,220632.58,128195.74,74848.39,0.0,82152.305,0.0, 175,609.1454009958121,3.9169166,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,62416.016,0.0,0.0, 176,380.1555981491749,3.9310918,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,118933.164,92339.0,0.0, 177,460.0942179014989,3.9996758,height,,,,,,,,,,,0.0,54426.258,60196.06,59325.5,0.0,73700.33,68505.234,0.0,64973.438,50817.258,72986.66,70491.4,0.0,0.0,0.0,0.0,0.0, 178,174.04027048930095,4.0048795,height,,,,,,,,,,,147096.39,149995.94,125616.0,148538.56,0.0,0.0,78037.24,0.0,97791.41,165151.27,147764.4,119617.79,164492.19,143652.0,189526.23,218829.69,0.0, 179,164.0712777998749,4.019053,height,,,,,,,,,,,78725.234,123635.4,94839.95,113886.69,0.0,0.0,105808.93,108811.42,56899.2,68954.3,73496.04,132414.66,157304.64,234687.61,158636.16,154308.14,0.0, 180,267.07236610771326,4.021375,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,87587.66,95012.17,0.0, 181,243.06154493732188,4.062987,height,,,,,,,,,,,0.0,73725.086,60773.105,0.0,0.0,0.0,79833.21,65775.86,0.0,0.0,0.0,53352.008,0.0,0.0,0.0,0.0,0.0, 182,130.08675740473896,4.075868,height,,,,,,,,,,,0.0,57703.086,0.0,68572.71,0.0,0.0,57496.32,70353.484,0.0,53438.18,54700.66,107226.54,76546.586,128255.84,60889.883,62685.473,0.0, 183,438.1249847087367,4.075875,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,54709.95,89743.95,96613.586,79356.06,0.0, 184,255.0538490124228,4.1011667,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,74716.44,0.0, 185,610.1254175638578,4.1743746,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,83499.125,69812.0,0.0, 186,130.08674229975747,4.2527947,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,53295.973,64037.74,106019.914,0.0,0.0,0.0, 187,438.12520688369233,4.313937,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,187343.78,236315.05,277778.53,418505.9,0.0, 188,157.03625348981768,4.3502917,height,,,,,,,,,,,0.0,0.0,0.0,55139.65,0.0,0.0,0.0,0.0,0.0,0.0,77030.06,0.0,132562.1,83753.26,125947.13,118319.94,0.0, 189,543.1574238804784,4.3728666,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,115118.99,0.0,0.0, 190,151.0607771303458,4.3767834,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,170009.45,0.0,0.0,0.0, 191,335.04897978800653,4.3777795,height,,,,,,,,,,,93494.54,131529.22,98208.79,0.0,83213.98,82388.34,86643.73,104077.56,70615.95,90968.36,153278.1,129102.78,138504.2,185978.84,128825.266,173093.53,0.0, 192,167.0207355171104,4.3789964,height,,,,,,,,,,,692990.1,954731.7,795442.6,793415.0,673870.5,660122.4,805897.8,833050.44,589134.5,811050.2,1024339.25,872051.25,976813.7,1181885.0,909540.56,1125261.9,0.0, 193,421.1347911525265,4.3812447,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,57895.04,171732.08,98445.2,0.0, 194,438.124941265219,4.395296,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,86592.19,104853.11,327369.53,131462.58,0.0, 195,203.082047588306,4.41425,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,62622.895,55459.664,0.0,0.0,0.0,56955.004,0.0,60015.65,58565.03,56350.184,0.0, 196,282.0836542603278,4.5568447,height,,,,,,,,,,,0.0,75394.41,56148.07,116766.63,0.0,0.0,0.0,0.0,114589.18,95721.24,0.0,58865.188,110640.61,137467.81,73143.17,0.0,0.0, 197,628.1710371025724,4.55798,height,,,,,,,,,,,0.0,0.0,0.0,76168.22,0.0,0.0,0.0,0.0,85425.55,51015.324,0.0,0.0,64912.465,78181.17,0.0,0.0,0.0, 198,144.04477615488602,4.564833,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,82218.984,0.0, 199,188.034766919081,4.564833,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,66505.13,0.0, 200,524.1255615283701,4.6126666,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,61122.152,0.0,0.0,0.0,0.0,0.0,0.0, 201,367.104630367268,4.635317,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,62247.58,0.0,0.0, 202,299.0802359566191,4.64185,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,135957.81,0.0, 203,779.2247774857598,4.667946,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,388919.2,266117.94,945862.94,732139.75,0.0, 204,452.10414488542216,4.6702,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,179810.84,178233.83,202037.55,210795.02,0.0, 205,817.1808010064028,4.6849084,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,60292.543,0.0,0.0,67094.82,0.0, 206,389.1080301124976,4.6864667,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,796418.1,632867.8,2267696.2,1327166.4,0.0, 207,569.1715496717898,4.696128,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,65061.2,0.0,225314.78,60420.598,0.0, 208,367.1047812773522,4.6997166,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,65363.395,0.0,0.0, 209,432.0990540283325,4.797717,height,,,,,,,,,,,130948.13,416083.03,86000.06,0.0,475457.22,543455.56,609221.75,344106.22,308422.34,301856.1,352352.12,674837.8,336193.22,146446.86,62276.473,94932.37,0.0, 210,116.07132090455258,4.821183,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,64771.64,0.0,0.0,0.0, 211,217.08229331545024,4.82535,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,68778.48,0.0, 212,129.01873958262698,4.8818,height,,,,,,,,,,,0.0,0.0,55821.426,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 213,194.9962343263711,4.8943667,height,,,,,,,,,,,0.0,71380.164,0.0,0.0,0.0,0.0,59936.02,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 214,114.05555697742427,4.9093885,height,,,,,,,,,,,96989.57,100256.305,127752.03,139350.77,0.0,52166.793,68659.38,55071.113,81199.26,0.0,114742.04,146265.05,128870.09,151268.61,88027.05,98712.1,0.0, 215,210.08781467637203,4.9962997,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,68070.5,0.0,62054.617,0.0,0.0,0.0,0.0,0.0, 216,468.1103896237901,5.018025,height,,,,,,,,,,,80026.12,0.0,0.0,125407.52,0.0,0.0,0.0,0.0,0.0,73981.82,0.0,0.0,75625.38,0.0,0.0,0.0,0.0, 217,432.0989539075161,5.0298166,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,106576.164,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 218,181.0713761240362,5.0403976,height,,,,,,,,,,,107736.9,200981.97,161597.75,159587.67,123964.49,248768.89,250272.05,210128.64,334312.4,813699.2,370108.12,263396.03,329634.4,416992.3,204234.81,214844.89,0.0, 219,128.95890600082953,5.1037683,height,,,,,,,,,,,0.0,65948.06,0.0,0.0,0.0,0.0,51053.07,0.0,0.0,55094.87,57233.43,0.0,85232.11,90333.88,143544.22,112615.21,0.0, 220,296.8814541278168,5.105021,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,67326.61,72559.7,122631.26,93072.875,0.0, 221,380.84315282991287,5.1079917,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,81499.35,60659.523,0.0, 222,181.071272950755,5.1460285,height,,,,,,,,,,,0.0,127747.43,95176.19,0.0,79433.1,0.0,115810.61,160830.02,0.0,99279.234,0.0,97212.7,408411.12,821876.3,901083.94,310475.5,0.0, 223,101.02381629960816,5.1541,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,53167.5,57630.48,0.0,0.0, 224,163.06056434534895,5.1541,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,72382.945,80510.46,0.0,0.0, 225,499.0703057881917,5.163438,height,,,,,,,,,,,0.0,112415.95,91453.16,105209.42,72672.99,86051.27,94704.02,60477.26,98261.82,110603.06,131737.28,100102.4,69666.13,0.0,67600.38,0.0,0.0, 226,443.1038964799561,5.165685,height,,,,,,,,,,,0.0,170148.27,119219.48,150926.98,0.0,93235.766,102490.375,0.0,130507.234,0.0,205580.92,132713.55,0.0,0.0,0.0,0.0,0.0, 227,369.1029343285206,5.1687927,height,,,,,,,,,,,169557.28,195611.05,168322.67,155854.23,107186.47,153124.89,102721.516,81499.29,183927.2,122385.21,251456.88,182068.5,0.0,60500.965,67185.36,0.0,0.0, 228,341.1079301552493,5.1698203,height,,,,,,,,,,,440887.97,507636.56,438643.44,405415.53,275362.53,405950.88,267187.8,215819.28,474927.88,322025.72,665686.6,476763.1,121488.984,156107.95,172915.53,86794.0,0.0, 229,415.1087980866248,5.1698203,height,,,,,,,,,,,2347288.2,2657530.5,2280573.8,2137998.0,1362203.2,2057110.5,1398787.9,1041898.6,2430207.5,1693052.5,3541046.0,2464216.0,666652.7,817533.25,915743.7,478132.84,0.0, 230,459.13419593571984,5.17145,height,,,,,,,,,,,53211.574,0.0,0.0,0.0,0.0,0.0,0.0,0.0,72865.32,0.0,56938.21,0.0,0.0,0.0,0.0,0.0,0.0, 231,460.09400170064487,5.1739388,height,,,,,,,,,,,0.0,0.0,61610.36,0.0,0.0,65693.5,0.0,0.0,63089.465,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 232,457.1193800823472,5.174943,height,,,,,,,,,,,124324.17,73144.36,128987.99,67100.44,0.0,100453.53,0.0,0.0,131378.7,0.0,121739.47,0.0,0.0,0.0,0.0,0.0,0.0, 233,432.0990695220266,5.181081,height,,,,,,,,,,,887659.9,613077.44,877999.4,332142.06,706048.8,1072066.9,151921.17,637796.56,840059.8,163366.92,712321.7,779318.3,0.0,105151.695,72592.38,0.0,0.0, 234,166.01720005515804,5.214,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,154551.53,0.0, 235,432.0989800342522,5.3009253,height,,,,,,,,,,,160684.44,210085.72,201185.06,116009.01,93268.945,164552.8,60630.555,90918.15,202075.67,65022.96,230390.23,199133.02,0.0,67522.695,59842.023,0.0,0.0, 236,415.1086843110904,5.315473,height,,,,,,,,,,,61796.914,77210.55,0.0,59718.17,0.0,53654.438,0.0,0.0,63466.195,53557.06,100332.67,79703.06,0.0,0.0,0.0,0.0,0.0, 237,405.0798284861695,5.3195,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,52061.445,0.0,0.0,0.0,0.0,0.0,0.0, 238,451.0281055733943,5.331683,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,59543.645,0.0,0.0,0.0,0.0,0.0,0.0, 239,382.0996065037789,5.385739,height,,,,,,,,,,,0.0,66055.586,0.0,56673.824,56391.21,61703.32,87964.78,58138.85,0.0,0.0,0.0,0.0,235972.84,166574.14,55396.742,0.0,0.0, 240,432.09896431613015,5.3880396,height,,,,,,,,,,,211834.53,207995.92,224462.77,192163.47,134786.58,223061.33,185947.17,119757.25,290036.38,269693.62,373275.75,302314.53,129012.01,107411.125,118565.97,96796.73,0.0, 241,415.1085318941266,5.389007,height,,,,,,,,,,,75630.08,78840.76,81088.23,67889.03,0.0,78364.97,67870.13,0.0,110730.66,103773.5,141225.84,113523.59,50182.125,0.0,59437.81,0.0,0.0, 242,145.01354159582584,5.389917,height,,,,,,,,,,,0.0,50446.96,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 243,515.1248383471799,5.3930335,height,,,,,,,,,,,0.0,55726.39,0.0,50181.098,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 244,405.0796264643786,5.393487,height,,,,,,,,,,,73074.69,69980.61,89487.18,79498.56,0.0,77717.164,71466.18,0.0,99780.57,90724.14,120568.96,97718.25,0.0,0.0,0.0,0.0,0.0, 245,424.03098378026766,5.456037,height,,,,,,,,,,,99951.36,73599.25,115507.21,83016.43,120839.06,109192.25,102765.49,108239.375,112100.64,92189.91,85631.86,90852.67,85484.15,97486.945,0.0,80579.516,0.0, 246,367.1047873594568,5.4570303,height,,,,,,,,,,,0.0,61466.95,81566.13,65755.695,89704.68,85200.27,95482.12,89964.0,104690.44,88177.84,73972.055,84847.8,84308.19,0.0,93149.13,82967.52,0.0, 247,412.0307193028139,5.458311,height,,,,,,,,,,,0.0,51895.72,0.0,77689.82,0.0,0.0,58864.812,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 248,176.05600561949558,5.4596334,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,136228.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 249,101.02411049907369,5.461233,height,,,,,,,,,,,0.0,0.0,0.0,50534.98,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 250,187.1083709787572,5.461539,height,,,,,,,,,,,0.0,117100.484,84916.984,0.0,62217.645,0.0,139823.31,158403.92,0.0,116832.61,89675.875,157956.58,117649.086,61794.867,114720.36,182621.03,0.0, 251,405.1022514486804,5.463267,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,64458.67,0.0,0.0, 252,129.01861385255603,5.4634666,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,69837.62,0.0, 253,147.0294478207034,5.464097,height,,,,,,,,,,,51352.47,58902.004,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,52183.69,0.0,0.0,0.0,51637.887,86218.15,0.0, 254,305.0172190765626,5.476954,height,,,,,,,,,,,144841.12,255506.77,158368.69,222107.67,68836.84,0.0,152173.88,108640.34,274472.88,231393.8,199515.45,281430.5,599919.8,931118.9,246697.39,387997.38,0.0, 255,111.0194704191449,5.477995,height,,,,,,,,,,,62238.05,112462.4,69414.016,94792.21,0.0,0.0,66517.73,0.0,117462.92,100412.414,86164.29,119663.78,251843.72,382476.7,105489.76,165045.16,0.0, 256,217.08240400215172,5.5011115,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,146622.61,93161.44,0.0,146661.69,0.0,0.0,0.0,0.0, 257,277.05565971217914,5.5685334,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,64006.918,0.0,0.0, 258,196.0720240373712,5.58455,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,86351.63,0.0,0.0,0.0,0.0,0.0, 259,551.1614849862333,5.6060915,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,79286.27,75089.95,0.0, 260,283.10253817634674,5.7462,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,55184.03,0.0, 261,156.02736476117448,5.758633,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,54712.645,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 262,248.9600051669244,5.7871222,height,,,,,,,,,,,50654.62,59827.234,62908.848,64462.395,0.0,0.0,0.0,0.0,0.0,0.0,60210.88,0.0,0.0,50465.63,0.0,0.0,0.0, 263,118.05035977699346,5.8386555,height,,,,,,,,,,,0.0,0.0,85888.055,0.0,0.0,0.0,0.0,77328.016,0.0,0.0,0.0,70672.75,59536.836,104377.36,77294.7,0.0,0.0, 264,259.0907503601495,5.8413315,height,,,,,,,,,,,116390.28,228124.78,243369.9,301359.62,0.0,0.0,89755.48,225772.73,0.0,0.0,0.0,0.0,0.0,295947.28,0.0,98913.555,0.0, 265,460.1664679318693,5.8587503,height,,,,,,,,,,,0.0,128310.016,84485.664,76408.016,0.0,0.0,79053.67,0.0,0.0,0.0,0.0,0.0,77226.51,76504.68,114749.02,78814.81,0.0, 266,265.0472798894507,5.858887,height,,,,,,,,,,,86288.6,78041.66,101398.02,108641.59,60123.87,0.0,64252.523,0.0,0.0,0.0,0.0,0.0,69780.27,111845.42,0.0,62870.703,0.0, 267,271.00329828652764,5.8667593,height,,,,,,,,,,,62057.12,0.0,0.0,0.0,0.0,117042.87,0.0,80681.02,124706.48,0.0,115163.15,131865.84,89892.68,0.0,0.0,0.0,0.0, 268,124.00674032888124,5.8679786,height,,,,,,,,,,,159684.45,124359.76,153677.53,137334.92,184426.56,228608.38,177270.0,184999.55,267211.25,276662.0,311101.97,283448.88,260482.6,265746.7,206922.89,215510.53,0.0, 269,466.1233082645099,5.868708,height,,,,,,,,,,,61621.36,93374.03,0.0,0.0,0.0,0.0,0.0,95685.98,0.0,130325.14,0.0,0.0,221343.88,147356.2,179680.02,162223.83,0.0, 270,118.05014916974848,5.9411335,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,101006.516,0.0, 271,351.066157153057,5.955333,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,121825.29,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 272,164.03809929373168,5.9858584,height,,,,,,,,,,,300324.88,310148.3,336821.03,186742.61,121148.57,131051.2,217494.75,270589.88,202243.94,141264.69,286905.5,365764.72,0.0,56411.21,0.0,0.0,0.0, 273,347.07438732956035,6.0060782,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,228105.84,508692.88,239868.16,0.0, 274,223.04523296205983,6.0157833,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,84655.35,0.0, 275,147.02954730833488,6.016025,height,,,,,,,,,,,50286.246,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,51499.062,0.0,0.0,0.0,61743.566,60151.363,0.0, 276,196.06061180570688,6.016033,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,329900.9,143193.56,0.0, 277,203.1031963567522,6.0169616,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,51801.062,0.0,0.0,0.0,82205.31,100746.56,0.0, 278,573.1586869662842,6.0181003,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,187885.22,246098.61,387635.34,0.0, 279,153.86829758795886,6.0183167,height,,,,,,,,,,,62035.34,0.0,53098.16,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 280,160.8416075252179,6.020707,height,,,,,,,,,,,136056.61,99058.16,125086.58,126641.8,98034.305,101693.18,110052.8,91567.914,107907.89,104486.69,110173.7,109467.8,88449.74,92467.2,102472.78,96308.836,0.0, 281,162.83880315898347,6.0247035,height,,,,,,,,,,,139142.11,97722.9,126213.29,133507.86,101882.17,109424.29,111698.68,90560.59,111661.055,111598.7,115242.625,112256.68,86558.94,97801.4,102021.56,93705.195,0.0, 282,567.1328594557078,6.026056,height,,,,,,,,,,,71498.58,73239.3,85293.59,70744.09,58670.53,184726.17,96932.33,0.0,191860.69,91537.13,203064.64,163289.6,57202.316,61447.21,0.0,68950.76,0.0, 283,164.83651664061142,6.028525,height,,,,,,,,,,,63009.54,0.0,56191.113,62219.758,0.0,57169.83,0.0,0.0,57311.96,0.0,50110.9,0.0,0.0,0.0,0.0,0.0,0.0, 284,341.1080752584267,6.030564,height,,,,,,,,,,,0.0,227811.61,0.0,0.0,0.0,0.0,79508.82,0.0,0.0,170270.9,106348.64,106782.45,226679.48,0.0,51051.582,0.0,0.0, 285,369.1302497421924,6.031767,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,78135.51,0.0,0.0,0.0, 286,380.0857909089604,6.0329294,height,,,,,,,,,,,0.0,239551.48,0.0,0.0,0.0,0.0,101489.69,0.0,54366.45,191823.06,126815.71,124753.31,213649.55,85018.875,84838.766,67356.74,0.0, 287,377.0853877019091,6.0334697,height,,,,,,,,,,,457566.9,3658744.0,762992.94,529678.25,555121.06,473848.84,1554257.4,498752.12,853530.7,2998796.8,1960749.8,1937188.9,3355150.8,1296352.6,1310722.6,1032963.5,0.0, 288,195.81007549199188,6.043524,height,,,,,,,,,,,283995.66,178516.58,248968.33,241078.4,245638.69,227967.16,0.0,216652.44,212956.73,199635.42,0.0,185546.6,186584.55,0.0,175559.8,178013.61,0.0, 289,85.0288472850776,6.044833,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,133085.95,89939.01,0.0, 290,351.08799735586126,6.0465736,height,,,,,,,,,,,122554.31,72867.484,54703.395,85601.336,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,80923.25,0.0,0.0,0.0, 291,349.0902138225881,6.0477557,height,,,,,,,,,,,308489.7,198585.66,142522.23,222132.86,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,52630.85,209816.78,0.0,0.0,0.0, 292,197.8074497387195,6.054078,height,,,,,,,,,,,353614.2,218697.31,305353.53,302397.78,296753.28,280987.53,277284.72,271205.8,263626.88,244476.3,0.0,229801.73,230328.9,0.0,221141.97,222698.27,0.0, 293,199.80439376830344,6.0627675,height,,,,,,,,,,,179666.55,112711.21,154943.02,155575.14,151783.0,0.0,143306.39,0.0,134326.0,128067.04,0.0,119198.625,120830.51,118068.61,114109.45,113821.61,0.0, 294,255.8216864715141,6.079925,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,54394.688,54211.1,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 295,257.81861162176403,6.079925,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,55831.812,55371.12,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 296,281.08741257016163,6.1120167,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,108789.96,98337.21,0.0, 297,567.1324168546579,6.1245666,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,59084.53,0.0,0.0,0.0,0.0,0.0, 298,377.0854177368436,6.134367,height,,,,,,,,,,,119685.875,441101.8,224174.95,130766.31,171431.03,211196.6,303242.3,150467.9,226989.78,236811.38,234335.3,301654.4,442274.1,321273.62,0.0,276927.25,0.0, 299,127.05073512031956,6.165503,height,,,,,,,,,,,91297.01,99887.414,120164.07,127007.65,0.0,0.0,0.0,0.0,0.0,61226.766,84163.54,61373.082,118129.0,141365.98,76994.48,119897.28,0.0, 300,145.06137850885108,6.168286,height,,,,,,,,,,,354051.88,408281.47,446254.7,461647.62,127281.57,155052.64,181221.2,206540.95,221321.98,264845.4,357708.94,308146.1,504013.2,561161.4,324187.53,484215.53,0.0, 301,313.1124922125512,6.1688643,height,,,,,,,,,,,94570.2,97151.83,106934.336,118934.586,54260.086,62627.895,66635.164,75306.35,76464.97,83495.11,88106.06,80547.83,98278.79,104033.12,86078.86,94940.36,0.0, 302,487.1775502317557,6.17469,height,,,,,,,,,,,502100.06,1176978.8,300967.62,188497.2,707252.06,810450.1,1044607.2,814498.5,879614.7,815337.8,1059474.9,1462005.2,1492981.2,1315696.1,892650.56,1087168.1,0.0, 303,341.10795982306786,6.1759744,height,,,,,,,,,,,0.0,122783.29,0.0,0.0,98172.21,109522.58,156858.48,91057.46,99061.47,87896.5,110647.4,180963.3,156605.45,133433.53,109197.914,118054.83,0.0, 304,85.02886994359115,6.17615,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,71891.055,0.0,0.0, 305,161.04505752833575,6.177401,height,,,,,,,,,,,0.0,78745.48,0.0,0.0,73782.164,81259.805,123151.68,60969.152,69326.78,56964.496,72163.055,132530.78,103585.42,81442.79,72356.6,73988.05,0.0, 306,179.05560208522587,6.178625,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,56293.867,0.0,0.0,0.0,0.0,57094.848,0.0,0.0,0.0,0.0,0.0, 307,404.1037571904742,6.1822033,height,,,,,,,,,,,86468.61,180241.9,82730.234,0.0,279581.12,292361.4,343012.1,217150.67,239242.5,191398.14,192810.22,317486.2,208754.61,176922.81,144505.36,129184.71,0.0, 308,683.2247494213096,6.185875,height,,,,,,,,,,,0.0,0.0,0.0,0.0,62005.344,64089.21,108103.33,0.0,0.0,0.0,0.0,81984.74,0.0,0.0,0.0,0.0,0.0, 309,533.1351576222935,6.1863747,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,95814.305,61782.48,0.0, 310,337.076704021333,6.2700667,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,57828.35,0.0,0.0, 311,285.0815198256679,6.274747,height,,,,,,,,,,,56082.004,0.0,57248.504,61472.023,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,70692.09,85569.44,0.0,0.0,0.0, 312,131.04576483269466,6.279371,height,,,,,,,,,,,0.0,58685.703,0.0,53743.906,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,91991.58,108807.87,0.0,0.0,0.0, 313,473.1622238214856,6.294035,height,,,,,,,,,,,0.0,105008.37,53239.457,62405.066,0.0,60073.15,109239.016,0.0,0.0,0.0,0.0,0.0,243200.34,234658.66,81334.25,65842.21,0.0, 314,230.11406516787972,6.3078,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,85656.04,0.0, 315,85.02880262464393,6.31735,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,56102.324,0.0, 316,231.05892086463408,6.3180666,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,64123.637,0.0,0.0,0.0,0.0,0.0, 317,314.1243286941705,6.3269167,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,53912.31,0.0,0.0, 318,446.151054532339,6.3333964,height,,,,,,,,,,,97775.93,189456.23,111259.17,112926.09,144944.89,110882.91,196641.25,120195.41,237173.89,182349.73,216108.05,282644.78,249766.12,236606.97,104232.81,105840.12,0.0, 319,369.1298211998426,6.3335333,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,70134.84,0.0,0.0,0.0, 320,341.10795574462634,6.3776975,height,,,,,,,,,,,0.0,96679.3,0.0,0.0,105026.47,120493.1,160963.73,80878.65,95578.72,76782.13,102282.164,181595.67,122824.89,112653.195,91883.234,88567.445,0.0, 321,161.04510410260008,6.3806043,height,,,,,,,,,,,0.0,82936.82,0.0,0.0,101931.484,116149.72,154226.89,77970.34,83928.12,69692.01,93513.664,172220.53,105512.1,91705.47,87089.08,86073.95,0.0, 322,683.2247429059362,6.3815837,height,,,,,,,,,,,0.0,123549.43,0.0,0.0,216559.97,253811.38,326265.78,145113.0,134809.89,0.0,154731.86,366616.3,177896.53,130767.47,150559.48,145292.97,0.0, 323,404.1038655823881,6.382323,height,,,,,,,,,,,0.0,0.0,0.0,0.0,390504.47,0.0,440204.78,342842.56,342176.44,0.0,0.0,0.0,341200.7,344040.6,216380.05,216977.25,0.0, 324,377.0853176704404,6.3833137,height,,,,,,,,,,,0.0,0.0,83086.055,0.0,0.0,0.0,129144.414,107459.66,0.0,116065.98,0.0,0.0,116213.75,120809.34,0.0,0.0,0.0, 325,221.06585296417336,6.3838334,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,79908.766,0.0,0.0,0.0,0.0,0.0, 326,179.05543279200992,6.383917,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,82588.59,0.0,0.0,0.0,63184.984,0.0, 327,102.05554943706493,6.4241996,height,,,,,,,,,,,0.0,74117.195,0.0,0.0,0.0,0.0,69749.7,0.0,61208.676,0.0,0.0,0.0,75667.47,59294.145,0.0,0.0,0.0, 328,128.0348326127384,6.425373,height,,,,,,,,,,,52171.746,114482.31,68226.21,62122.31,0.0,0.0,104949.14,0.0,91668.08,0.0,71311.18,61320.082,112834.08,90168.86,0.0,0.0,0.0, 329,852.2605059727284,6.42592,height,,,,,,,,,,,0.0,0.0,0.0,0.0,63591.074,0.0,65330.17,68880.08,0.0,0.0,0.0,0.0,59894.984,67191.26,0.0,0.0,0.0, 330,146.0453959072269,6.429987,height,,,,,,,,,,,473661.06,967812.2,574694.0,541542.06,383412.84,384082.9,828698.5,434340.16,824040.3,843331.2,649983.7,556948.44,850401.0,675455.7,414128.5,372785.84,0.0, 331,541.1171038177423,6.431733,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,74745.51,0.0,74177.92,0.0,0.0,0.0,0.0,0.0,0.0, 332,223.04526313136947,6.4318833,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,82018.08,0.0, 333,488.1618629347416,6.4328423,height,,,,,,,,,,,724936.8,1419170.2,867642.6,796318.1,530374.6,573758.44,1223324.1,621118.5,1224104.5,1236568.2,984918.06,812619.06,1215291.8,982003.75,583666.8,522963.78,0.0, 334,179.05555411847763,6.4345336,height,,,,,,,,,,,0.0,67908.14,0.0,0.0,0.0,0.0,75378.5,0.0,0.0,0.0,72866.01,55518.723,57391.73,0.0,58501.793,57325.992,0.0, 335,511.1430137507941,6.439658,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,96264.055,130193.89,0.0, 336,533.1351540532298,6.439658,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,147061.0,112614.56,0.0, 337,467.1167526783238,6.439775,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,77760.836,0.0,0.0,50584.47,0.0,0.0,0.0,0.0, 338,377.0853413433481,6.4412994,height,,,,,,,,,,,229814.66,276894.16,244001.36,235470.67,191856.97,219537.2,264880.1,209004.58,275593.84,296442.44,270145.62,253596.23,257326.6,262578.78,241877.86,188224.61,0.0, 339,431.1042339825117,6.4426746,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,50372.75,52013.324,0.0,0.0,0.0, 340,719.2019545797923,6.442898,height,,,,,,,,,,,55237.52,0.0,0.0,0.0,0.0,0.0,53050.984,0.0,55882.29,60954.227,0.0,54579.938,51683.496,55402.25,0.0,0.0,0.0, 341,341.1080955681797,6.457898,height,,,,,,,,,,,2780484.5,3137096.0,2521329.2,2966707.0,938324.94,1806035.2,1730796.9,947824.2,2829053.2,2399296.8,4345721.0,3318189.0,1574111.8,1467035.8,2904505.0,1521457.2,0.0, 342,387.1136618915369,6.457898,height,,,,,,,,,,,9021684.0,9844419.0,8079592.0,9381092.0,3050034.5,5838558.5,5593783.5,3062010.2,8939869.0,7717311.5,12520366.0,10121796.0,5063247.5,4725123.0,9196422.0,4905383.5,0.0, 343,683.2249539098053,6.4584427,height,,,,,,,,,,,122874.125,131259.67,108699.88,124210.19,55568.535,86450.33,82753.695,53793.574,113545.586,101230.586,177239.94,135728.22,72940.68,70414.21,122557.64,69977.52,0.0, 344,390.1218790278056,6.4588284,height,,,,,,,,,,,65706.04,73808.06,0.0,67897.95,0.0,0.0,0.0,0.0,62975.73,53627.87,108079.13,74555.625,0.0,0.0,0.0,0.0,0.0, 345,729.2302300017724,6.4595413,height,,,,,,,,,,,252293.25,234020.78,200720.72,230903.39,87828.35,176459.67,130330.77,79714.234,205769.4,180996.83,329672.0,251167.39,123707.805,110456.14,225316.19,119832.08,0.0, 346,446.15107530207285,6.461315,height,,,,,,,,,,,51652.96,58741.504,73855.43,66346.625,0.0,0.0,0.0,0.0,57930.387,0.0,70542.164,66118.84,0.0,88028.35,71102.734,50605.188,0.0, 347,473.16252597984845,6.473417,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,50905.87,0.0,0.0,0.0, 348,447.1374213141028,6.47365,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,53503.773,0.0,0.0, 349,404.1039498471663,6.4754333,height,,,,,,,,,,,808277.44,835299.75,833271.7,829086.8,867544.4,827228.75,899789.5,901627.56,883919.56,857808.3,784233.44,808400.5,835788.25,871953.3,659839.8,662258.2,0.0, 350,179.05550223928677,6.5288167,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,58100.668,0.0,0.0, 351,377.0852297507381,6.6390166,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,72372.94,62934.89,0.0,0.0,0.0, 352,214.04814591062063,6.6682,height,,,,,,,,,,,0.0,0.0,0.0,0.0,56231.883,0.0,63981.504,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 353,306.07624420267746,6.683367,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,62248.586,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 354,165.03984875364597,6.7459664,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,64465.598,0.0,0.0, 355,179.05550389368108,6.7470417,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,77704.516,67336.945,0.0, 356,404.1037504816566,6.7487497,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,168091.14,259078.0,243475.02,177629.36,0.0, 357,341.10784945223566,6.7492,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,50468.74,93227.02,0.0,0.0, 358,377.0850790905292,6.7492,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,69931.17,62646.844,0.0,0.0, 359,566.1565289752311,6.7732,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,61561.59,0.0,0.0,0.0,0.0, 360,243.01754702128204,6.8341208,height,,,,,,,,,,,84905.95,86374.27,63881.844,58706.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 361,549.1665078936674,6.8809843,height,,,,,,,,,,,0.0,0.0,0.0,0.0,54347.086,126511.72,115593.08,0.0,100922.07,71470.586,107479.06,118340.87,124713.61,104345.23,92595.97,70899.77,0.0, 362,566.1567208219295,6.8828635,height,,,,,,,,,,,0.0,63386.09,0.0,0.0,167562.52,367039.72,331302.75,0.0,307550.2,234405.23,320297.2,331846.78,363537.4,292000.25,196256.42,164452.62,0.0, 363,503.16101714867375,6.8843307,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,77856.32,70160.47,0.0,60948.254,0.0,65087.18,0.0,77748.51,63181.137,55485.113,0.0,0.0, 364,669.2088742149062,6.8851833,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,56155.258,0.0,0.0, 365,337.077016568431,6.8977365,height,,,,,,,,,,,115567.72,158952.83,146983.16,180052.4,96951.414,105291.84,157064.64,78244.234,0.0,0.0,55586.76,73720.57,66022.07,154903.19,87175.25,62778.76,0.0, 366,566.156561804381,6.9667916,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,128915.48,0.0,0.0,0.0,0.0,108585.75,0.0,0.0,0.0,0.0,0.0, 367,267.0713044932404,7.0074997,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,223626.69,170131.75,0.0, 368,243.01759126699557,7.0202,height,,,,,,,,,,,61071.453,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 369,539.1377776447937,7.053332,height,,,,,,,,,,,58639.56,55707.008,0.0,54025.66,53218.062,0.0,60399.305,0.0,56598.9,54775.773,56688.26,55318.79,52436.125,0.0,0.0,0.0,0.0, 370,1007.3307357121904,7.0553904,height,,,,,,,,,,,0.0,66052.39,0.0,0.0,0.0,101793.59,101822.0,0.0,80898.87,0.0,95809.26,115164.836,101712.06,0.0,0.0,0.0,0.0, 371,549.1666558285273,7.055967,height,,,,,,,,,,,201716.0,230905.95,213416.92,155036.34,145562.3,251934.08,230250.2,88106.695,260366.66,203202.64,323905.12,277071.03,239889.48,127684.94,145226.27,184203.12,0.0, 372,503.1611043196567,7.056547,height,,,,,,,,,,,123225.81,168506.4,102607.27,71146.33,99192.6,161530.72,168281.27,69676.12,150288.95,111754.08,168365.98,210044.88,164493.27,85682.336,86588.18,107741.016,0.0, 373,566.1567883782691,7.056547,height,,,,,,,,,,,543165.0,602390.7,565691.5,488885.62,506118.28,682257.94,661604.3,375802.4,703062.6,603767.5,726259.06,746922.94,661359.9,404649.53,270348.62,347371.66,0.0, 374,639.1984132458687,7.0575333,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,50681.125,0.0,0.0, 375,376.10095579196246,7.0580783,height,,,,,,,,,,,0.0,59734.12,79892.65,98762.43,0.0,76992.22,0.0,52463.06,154594.55,133540.69,154893.7,166969.34,108775.53,227133.17,61002.23,157718.97,0.0, 376,636.1987491589397,7.0582223,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,71612.28,0.0,0.0,0.0,0.0,0.0,0.0,95346.445,61434.65,0.0,0.0, 377,669.2090822640757,7.059758,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,113475.54,106174.19,0.0, 378,404.1037971182775,7.1490583,height,,,,,,,,,,,0.0,52800.95,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,63064.777,0.0,0.0,0.0,0.0,0.0,0.0, 379,539.1376228314792,7.213836,height,,,,,,,,,,,50330.12,52787.766,0.0,0.0,0.0,0.0,54990.72,0.0,50534.324,0.0,0.0,62802.652,52542.242,0.0,0.0,0.0,0.0, 380,341.10772029317184,7.2142,height,,,,,,,,,,,0.0,54404.848,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,73210.79,0.0,0.0,0.0,0.0,0.0, 381,1007.3304722686656,7.2189083,height,,,,,,,,,,,0.0,50120.117,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,78368.15,0.0,0.0,0.0,0.0,0.0, 382,503.1611182989061,7.224993,height,,,,,,,,,,,120312.96,180589.64,101461.43,89981.79,70141.54,110819.8,141712.55,71282.56,120161.66,81269.67,117026.586,247324.1,140040.48,68397.41,0.0,73818.82,0.0, 383,566.1568050838798,7.232582,height,,,,,,,,,,,406915.56,486163.06,428815.2,403144.47,233293.8,353866.56,441606.5,233227.4,438881.8,351642.2,440029.4,616796.56,424123.28,253891.06,120499.29,185723.92,0.0, 384,549.1666816899316,7.24799,height,,,,,,,,,,,165632.8,206517.7,195302.56,181695.83,51560.26,109695.195,106983.71,69247.305,176234.88,130572.66,206729.83,170840.61,125320.02,69461.36,0.0,66740.59,0.0, 385,243.01747958499703,7.2602334,height,,,,,,,,,,,66648.53,50974.61,0.0,0.0,54965.33,54246.57,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 386,353.0719736718401,7.381283,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,81669.72,81569.5,54796.777,98031.84,0.0, 387,728.2101972558147,7.3987937,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,90208.41,0.0,0.0,109406.336,0.0,104854.5,0.0,103437.984,86165.07,0.0,0.0,0.0, 388,665.2143682537479,7.400247,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,79794.72,0.0,0.0,92177.65,61845.766,98018.34,0.0,91173.36,78004.84,69584.82,0.0,0.0, 389,331.11350343417365,7.46043,height,,,,,,,,,,,0.0,0.0,56730.516,61595.07,0.0,0.0,0.0,0.0,62610.3,65647.445,70215.28,67345.41,0.0,0.0,0.0,0.0,0.0, 390,154.06172597466596,7.46527,height,,,,,,,,,,,293313.75,305713.22,412165.78,477497.34,186902.97,189061.19,296288.66,240779.08,474174.56,555587.0,670944.8,628803.6,224095.89,243956.17,104941.78,59827.953,0.0, 391,711.219701545415,7.554122,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,78129.84,0.0,0.0,78041.04,50840.22,77829.73,0.0,88325.78,73939.28,74747.6,0.0,0.0, 392,665.2146918705007,7.555325,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,50816.176,0.0,0.0,0.0,0.0,0.0,0.0,54278.098,0.0,0.0,0.0,0.0, 393,728.210304049564,7.558983,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,91700.016,0.0,0.0,57738.637,0.0,0.0,0.0,80420.516,55216.406,0.0,0.0,0.0, 394,665.2144782338838,7.6589665,height,,,,,,,,,,,0.0,0.0,55007.27,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 395,154.06169743269285,7.675626,height,,,,,,,,,,,110179.99,101749.805,129868.09,157740.31,67374.6,63733.05,99371.02,83359.48,0.0,0.0,0.0,192150.53,76857.766,90806.3,0.0,0.0,0.0, 396,131.08221250719097,7.6823187,height,,,,,,,,,,,58726.47,83178.7,63117.062,84545.305,0.0,0.0,0.0,0.0,0.0,0.0,52378.87,85445.52,51259.344,60711.188,0.0,55112.27,0.0, 397,521.3273246910464,7.6840444,height,,,,,,,,,,,0.0,66662.66,0.0,58976.08,0.0,0.0,0.0,0.0,0.0,0.0,0.0,62941.97,0.0,0.0,0.0,0.0,0.0, 398,173.10395175344638,7.6845536,height,,,,,,,,,,,99694.77,138553.98,103960.1,137909.73,56184.004,0.0,73342.39,71541.18,69868.01,82160.8,87828.73,137982.14,84381.5,100851.38,57017.82,86493.26,0.0, 399,154.0616812406937,7.8202085,height,,,,,,,,,,,0.0,66668.13,77751.16,87240.22,0.0,0.0,0.0,64719.87,86706.54,114334.05,113049.28,181814.08,0.0,0.0,0.0,0.0,0.0, 400,145.0977860469393,7.8258553,height,,,,,,,,,,,51363.54,152455.02,107302.45,123732.49,0.0,0.0,66706.8,133258.72,113380.83,141387.75,140198.92,290988.8,85956.45,99507.15,86059.195,54157.59,0.0, 401,195.0503885530922,7.8264165,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,120172.17,401125.7,0.0,0.0, 402,165.0398028737673,7.828483,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,148693.64,0.0,0.0, 403,171.00600177800553,7.8455634,height,,,,,,,,,,,0.0,0.0,77144.42,80303.07,0.0,0.0,0.0,0.0,112197.03,0.0,154672.25,82967.51,0.0,90677.79,0.0,0.0,0.0, 404,171.00592826118296,7.9485,height,,,,,,,,,,,71899.52,62944.246,0.0,0.0,0.0,0.0,0.0,0.0,0.0,81097.97,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 405,154.06166983247007,7.98075,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,90883.07,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 406,195.05045159730776,7.9821835,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,70313.45,0.0,0.0,0.0,0.0, 407,131.08210329472166,7.9839334,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,54872.64,0.0,0.0,105964.164,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 408,333.0587423397049,8.207429,height,,,,,,,,,,,0.0,0.0,0.0,0.0,156047.5,116367.92,183127.56,0.0,0.0,0.0,0.0,0.0,0.0,0.0,61292.188,0.0,0.0, 409,158.97797888260817,9.841453,height,,,,,,,,,,,0.0,65344.35,50094.72,51881.27,0.0,0.0,0.0,0.0,0.0,0.0,53002.887,0.0,52801.055,54132.99,51219.33,0.0,0.0, 410,289.9483832120276,9.841567,height,,,,,,,,,,,0.0,54342.426,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 411,272.9585951265392,9.841882,height,,,,,,,,,,,63384.516,110294.36,80915.9,83418.86,0.0,0.0,66278.734,50093.688,77106.445,75772.5,88648.945,64399.957,86110.414,90986.1,78968.875,61240.83,0.0, nf_output/clustering/tall_raw_data.tsv0000644000000000000000000215714514767266356017357 0ustar rootrootrow ID filename area raw_data row m/z row retention time 1 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 93.03385290447436 1.3726889 2 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 342.2282842200452 1.3893917 3 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 774.5279624210174 1.4256333 4 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 414.1218492977562 1.4882333 5 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 90897.32 0 314.1968815601056 1.4933132 6 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 201.0761274655518 1.533225 7 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 217.10738466723123 1.5635065 8 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 93.04496836540216 1.59925 9 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 272.1496694202024 1.62595 10 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 802.5603771415259 1.6640555 11 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 178.05023404461056 1.6760334 12 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 188.94898253557048 1.7026334 13 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 204.12365316668223 1.7026334 14 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 103322.914 0 293.17860481195504 1.708019 15 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 776.5433957777306 1.751811 16 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 774.5288730138618 1.76045 17 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 102318.86 0 309.1736714811531 1.7619792 18 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 62698.254 0 353.1994786176988 1.798662 19 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 202.1078766798916 1.80035 20 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 397.22625990072027 1.8235583 21 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 99249.305 0 171.06571659654227 1.827863 22 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 61849.023 0 127.07591121213706 1.8292907 23 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 258.1340381334496 1.8461833 24 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 316.2126434271194 1.8711833 25 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 89.0235512311677 1.8853583 26 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 244.11833914250303 1.8909167 27 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 194.08163019411083 1.92555 28 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 111.0194360568886 1.9417667 29 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 167.03440596891804 1.9441166 30 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 216.1234363986188 1.9783 31 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 58375.367 0 216.94379145047068 2.0031228 32 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 360.23881181531686 2.00415 33 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 62999.176 0 99.00803117810024 2.0057502 34 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 712822.5 0 117.01877083220012 2.0078368 35 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 152965.53 0 73.0285860830186 2.0082808 36 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 84526.96 0 530.2785104120919 2.0152998 37 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 318.02785704601115 2.0189166 38 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 437.21358469950616 2.0189166 39 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 523790.84 0 218.1031052887504 2.024331 40 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 88.03967650136562 2.0265 41 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 226267.8 0 742.5387858229274 2.043875 42 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 690703.44 0 716.522749977004 2.0675 43 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 89.02355611082942 2.0678582 44 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 195.06571730541225 2.0697334 45 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 360.2388161045092 2.0765834 46 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 230.10263502127668 2.0879667 47 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 702.5076365968943 2.0886 48 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 246.99120909765568 2.0927222 49 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 243.13437202348544 2.0970666 50 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 1055261.2 0 688.4919999607429 2.1007051 51 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 98346.03 0 660.4605446622179 2.128822 52 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 201.07597957430923 2.177861 53 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 222.0763033454145 2.181225 54 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 153.01862959637714 2.22745 55 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 403.1241872745805 2.2475874 56 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 151.0395460357251 2.2482166 57 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 349.06927581920576 2.2494724 58 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 169754.16 0 359.09750936117143 2.2495408 59 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 89.02367397714102 2.2499542 60 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 260.1495206114146 2.2600918 61 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 208.06051489951616 2.2895334 62 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 229.1184198004067 2.297429 63 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 285.0608566468509 2.3280666 64 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 206.04552680170684 2.3593166 65 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 241.0350635576058 2.3800666 66 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 566.3457974096141 2.42135 67 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 362.2442056064621 2.4242666 68 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 160.03983663046114 2.44055 69 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 161.0449419243981 2.48759 70 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 336.22903204045184 2.5179167 71 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 151.0606203206697 2.5271666 72 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 459.1136845440237 2.5279167 73 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 92523.08 0 687.5440678824715 2.5327036 74 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 165.0188311080946 2.5618834 75 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 140304.95 0 659.5124284446764 2.5621688 76 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 631.4810305663648 2.60535 77 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 246.134080266216 2.6086943 78 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 229.0710375000464 2.619675 79 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 215.1030108191725 2.6454399 80 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 365.1633183905246 2.64855 81 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 187.0411037236024 2.6628668 82 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 115.02029022867096 2.6806 83 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 463.10876429689966 2.6806 84 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 194.04522665628 2.7020664 85 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 191.07267377279115 2.7035 86 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 189.05612915029147 2.703886 87 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 205.049599795934 2.7047243 88 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 478.29335782667874 2.7097 89 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 245.04647653186083 2.7155416 90 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 217.0328329782935 2.7182 91 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 261.04062605310975 2.7182 92 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 173.02576793846893 2.7202168 93 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 205.0139200348532 2.7220578 94 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 246.0437565312131 2.7296085 95 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 203.0331934649314 2.7343335 96 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 247.03641790824423 2.7391334 97 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 60035.965 0 478.29358068357527 2.7805529 98 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 450.26276122576456 2.7924333 99 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 450.2623329483288 2.8485205 100 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 905.5637132131336 2.8517332 101 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 136860.05 0 452.2774502174688 2.8579333 102 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 453.2809182724429 2.8586445 103 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 305.0683101668419 2.86956 104 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 187.04126450765307 2.8698082 105 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 417.1031486293373 2.8980167 106 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 553.1767620418868 2.8980167 107 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 509.1503466515295 2.902425 108 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 513.2188948283712 2.9071333 109 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 463.1090300636153 2.911446 110 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 379.1606913172725 2.9115334 111 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 424.24667016223407 2.9308333 112 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 287.16088355963427 2.942675 113 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 358271.5 0 151.02565353793702 2.960931 114 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 89.023644609207 2.96735 115 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 55531.87 0 135.03064799851376 2.9680166 116 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 299.0763710941055 2.999043 117 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 305.0693976881394 3.0389333 118 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 62210.613 0 279.03816479439735 3.069239 119 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 98186.6 0 495.11752787468345 3.0693083 120 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 94287.914 0 200.0559653389267 3.069594 121 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 509179.94 0 243.0615161475912 3.0696342 122 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 254.0665093188214 3.081675 123 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 441.161109644883 3.1197777 124 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 386.14498918221614 3.1430666 125 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 423.0946742362405 3.1635807 126 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 805.487208410837 3.1671333 127 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 808.5054019042612 3.1671333 128 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 431.1189294135333 3.212346 129 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 494.1149903010408 3.2123778 130 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 863.2466333941438 3.212346 131 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 157475.34 0 201.08767626698824 3.2730463 132 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 181.07116378738937 3.2767832 133 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 379.16044685174256 3.2937167 134 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 425.1659360092301 3.2939835 135 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 415.13719069716257 3.2972667 136 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 442.155774968465 3.2983918 137 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 508.2029935900176 3.3033278 138 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 233.0118147563065 3.30885 139 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 157670.34 0 128.0347547953409 3.3096147 140 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 227.95989955231545 3.3166084 141 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 279.0592001778712 3.3235333 142 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 338.10879131481295 3.3376334 143 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 427.12655414683854 3.3376334 144 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 510.1829772658847 3.34115 145 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 428.11891319497687 3.3887832 146 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 283.0844953165966 3.3931668 147 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 299.076537947216 3.3932598 148 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 73280.46 0 188.0558698558908 3.4127185 149 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 417.1031192578657 3.4173584 150 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 157.0137208641791 3.4216666 151 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 175.02426445945224 3.4216666 152 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 128.03483206810057 3.4975834 153 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 389.107928268466 3.4981833 154 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 181.0711946932322 3.499129 155 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 167.07076991550073 3.5078166 156 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 229.07116449741457 3.5078166 157 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 224.05584246171915 3.5101979 158 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 194.04517579040763 3.5137749 159 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 323.980758793017 3.5185165 160 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 417.1031244283464 3.5503209 161 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 243.0504114435401 3.63265 162 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 265.08267086505225 3.6427999 163 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 199.06057341944896 3.688 164 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 213345.17 0 356.134749942328 3.703332 165 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 157071.6 0 419.1298477158531 3.7040455 166 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 194.08204788413832 3.7056668 167 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 53736.883 0 535.153498026724 3.7377152 168 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 308272.72 0 267.0728731788562 3.7380428 169 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 86319.65 0 460.0941949935822 3.7703612 170 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 58336.254 0 597.3036309634889 3.795014 171 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 595.2880331927124 3.8294923 172 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 56167.17 0 569.272570164922 3.881628 173 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 69851.55 0 443.1039304657232 3.904469 174 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 198511.03 0 460.0941466113717 3.9059274 175 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 609.1454009958121 3.9169166 176 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 380.1555981491749 3.9310918 177 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 460.0942179014989 3.9996758 178 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 147096.39 0 174.04027048930095 4.0048795 179 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 78725.234 0 164.0712777998749 4.019053 180 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 267.07236610771326 4.021375 181 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 243.06154493732188 4.062987 182 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 130.08675740473896 4.075868 183 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 438.1249847087367 4.075875 184 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 255.0538490124228 4.1011667 185 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 610.1254175638578 4.1743746 186 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 130.08674229975747 4.2527947 187 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 438.12520688369233 4.313937 188 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 157.03625348981768 4.3502917 189 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 543.1574238804784 4.3728666 190 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 151.0607771303458 4.3767834 191 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 93494.54 0 335.04897978800653 4.3777795 192 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 692990.1 0 167.0207355171104 4.3789964 193 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 421.1347911525265 4.3812447 194 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 438.124941265219 4.395296 195 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 203.082047588306 4.41425 196 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 282.0836542603278 4.5568447 197 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 628.1710371025724 4.55798 198 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 144.04477615488602 4.564833 199 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 188.034766919081 4.564833 200 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 524.1255615283701 4.6126666 201 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 367.104630367268 4.635317 202 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 299.0802359566191 4.64185 203 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 779.2247774857598 4.667946 204 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 452.10414488542216 4.6702 205 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 817.1808010064028 4.6849084 206 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 389.1080301124976 4.6864667 207 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 569.1715496717898 4.696128 208 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 367.1047812773522 4.6997166 209 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 130948.13 0 432.0990540283325 4.797717 210 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 116.07132090455258 4.821183 211 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 217.08229331545024 4.82535 212 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 129.01873958262698 4.8818 213 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 194.9962343263711 4.8943667 214 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 96989.57 0 114.05555697742427 4.9093885 215 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 210.08781467637203 4.9962997 216 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 80026.12 0 468.1103896237901 5.018025 217 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 432.0989539075161 5.0298166 218 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 107736.9 0 181.0713761240362 5.0403976 219 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 128.95890600082953 5.1037683 220 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 296.8814541278168 5.105021 221 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 380.84315282991287 5.1079917 222 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 181.071272950755 5.1460285 223 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 101.02381629960816 5.1541 224 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 163.06056434534895 5.1541 225 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 499.0703057881917 5.163438 226 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 443.1038964799561 5.165685 227 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 169557.28 0 369.1029343285206 5.1687927 228 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 440887.97 0 341.1079301552493 5.1698203 229 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 2347288.2 0 415.1087980866248 5.1698203 230 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 53211.574 0 459.13419593571984 5.17145 231 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 460.09400170064487 5.1739388 232 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 124324.17 0 457.1193800823472 5.174943 233 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 887659.9 0 432.0990695220266 5.181081 234 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 166.01720005515804 5.214 235 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 160684.44 0 432.0989800342522 5.3009253 236 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 61796.914 0 415.1086843110904 5.315473 237 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 405.0798284861695 5.3195 238 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 451.0281055733943 5.331683 239 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 382.0996065037789 5.385739 240 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 211834.53 0 432.09896431613015 5.3880396 241 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 75630.08 0 415.1085318941266 5.389007 242 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 145.01354159582584 5.389917 243 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 515.1248383471799 5.3930335 244 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 73074.69 0 405.0796264643786 5.393487 245 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 99951.36 0 424.03098378026766 5.456037 246 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 367.1047873594568 5.4570303 247 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 412.0307193028139 5.458311 248 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 176.05600561949558 5.4596334 249 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 101.02411049907369 5.461233 250 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 187.1083709787572 5.461539 251 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 405.1022514486804 5.463267 252 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 129.01861385255603 5.4634666 253 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 51352.47 0 147.0294478207034 5.464097 254 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 144841.12 0 305.0172190765626 5.476954 255 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 62238.05 0 111.0194704191449 5.477995 256 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 217.0824040021517 5.5011115 257 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 277.05565971217914 5.5685334 258 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 196.0720240373712 5.58455 259 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 551.1614849862333 5.6060915 260 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 283.10253817634674 5.7462 261 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 156.02736476117448 5.758633 262 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 50654.62 0 248.9600051669244 5.7871222 263 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 118.05035977699346 5.8386555 264 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 116390.28 0 259.0907503601495 5.8413315 265 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 460.1664679318693 5.8587503 266 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 86288.6 0 265.0472798894507 5.858887 267 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 62057.12 0 271.00329828652764 5.8667593 268 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 159684.45 0 124.00674032888124 5.8679786 269 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 61621.36 0 466.1233082645099 5.868708 270 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 118.05014916974848 5.9411335 271 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 351.066157153057 5.955333 272 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 300324.88 0 164.03809929373168 5.9858584 273 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 347.07438732956035 6.0060782 274 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 223.04523296205983 6.0157833 275 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 50286.246 0 147.02954730833488 6.016025 276 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 196.06061180570688 6.016033 277 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 203.1031963567522 6.0169616 278 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 573.1586869662842 6.0181003 279 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 62035.34 0 153.86829758795886 6.0183167 280 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 136056.61 0 160.8416075252179 6.020707 281 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 139142.11 0 162.83880315898347 6.0247035 282 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 71498.58 0 567.1328594557078 6.026056 283 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 63009.54 0 164.83651664061142 6.028525 284 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 341.1080752584267 6.030564 285 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 369.1302497421924 6.031767 286 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 380.0857909089604 6.0329294 287 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 457566.9 0 377.0853877019091 6.0334697 288 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 283995.66 0 195.81007549199188 6.043524 289 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 85.0288472850776 6.044833 290 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 122554.31 0 351.08799735586126 6.0465736 291 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 308489.7 0 349.0902138225881 6.0477557 292 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 353614.2 0 197.8074497387195 6.054078 293 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 179666.55 0 199.80439376830344 6.0627675 294 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 255.8216864715141 6.079925 295 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 257.81861162176403 6.079925 296 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 281.08741257016163 6.1120167 297 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 567.1324168546579 6.1245666 298 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 119685.875 0 377.0854177368436 6.134367 299 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 91297.01 0 127.05073512031956 6.165503 300 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 354051.88 0 145.06137850885108 6.168286 301 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 94570.2 0 313.1124922125512 6.1688643 302 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 502100.06 0 487.1775502317557 6.17469 303 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 341.10795982306786 6.1759744 304 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 85.02886994359115 6.17615 305 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 161.04505752833575 6.177401 306 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 179.05560208522587 6.178625 307 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 86468.61 0 404.1037571904742 6.1822033 308 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 683.2247494213096 6.185875 309 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 533.1351576222935 6.1863747 310 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 337.076704021333 6.2700667 311 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 56082.004 0 285.0815198256679 6.274747 312 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 131.04576483269466 6.279371 313 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 473.1622238214856 6.294035 314 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 230.1140651678797 6.3078 315 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 85.02880262464393 6.31735 316 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 231.05892086463408 6.3180666 317 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 314.1243286941705 6.3269167 318 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 97775.93 0 446.151054532339 6.3333964 319 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 369.1298211998426 6.3335333 320 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 341.10795574462634 6.3776975 321 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 161.04510410260008 6.3806043 322 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 683.2247429059362 6.3815837 323 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 404.1038655823881 6.382323 324 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 377.0853176704404 6.3833137 325 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 221.06585296417336 6.3838334 326 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 179.05543279200992 6.383917 327 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 102.05554943706493 6.4241996 328 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 52171.746 0 128.0348326127384 6.425373 329 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 852.2605059727284 6.42592 330 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 473661.06 0 146.0453959072269 6.429987 331 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 541.1171038177423 6.431733 332 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 223.04526313136947 6.4318833 333 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 724936.8 0 488.1618629347416 6.4328423 334 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 179.05555411847763 6.4345336 335 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 511.1430137507941 6.439658 336 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 533.1351540532298 6.439658 337 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 467.1167526783238 6.439775 338 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 229814.66 0 377.0853413433481 6.4412994 339 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 431.1042339825117 6.4426746 340 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 55237.52 0 719.2019545797923 6.442898 341 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 2780484.5 0 341.1080955681797 6.457898 342 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 9021684.0 0 387.1136618915369 6.457898 343 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 122874.125 0 683.2249539098053 6.4584427 344 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 65706.04 0 390.1218790278056 6.4588284 345 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 252293.25 0 729.2302300017724 6.4595413 346 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 51652.96 0 446.15107530207285 6.461315 347 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 473.16252597984845 6.473417 348 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 447.1374213141028 6.47365 349 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 808277.44 0 404.1039498471663 6.4754333 350 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 179.05550223928677 6.5288167 351 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 377.0852297507381 6.6390166 352 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 214.04814591062063 6.6682 353 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 306.07624420267746 6.683367 354 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 165.03984875364597 6.7459664 355 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 179.05550389368108 6.7470417 356 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 404.1037504816566 6.7487497 357 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 341.10784945223566 6.7492 358 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 377.0850790905292 6.7492 359 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 566.1565289752311 6.7732 360 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 84905.95 0 243.01754702128204 6.8341208 361 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 549.1665078936674 6.8809843 362 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 566.1567208219295 6.8828635 363 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 503.16101714867375 6.8843307 364 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 669.2088742149062 6.8851833 365 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 115567.72 0 337.077016568431 6.8977365 366 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 566.156561804381 6.9667916 367 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 267.0713044932404 7.0074997 368 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 61071.453 0 243.0175912669956 7.0202 369 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 58639.56 0 539.1377776447937 7.053332 370 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 1007.3307357121904 7.0553904 371 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 201716.0 0 549.1666558285273 7.055967 372 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 123225.81 0 503.1611043196567 7.056547 373 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 543165.0 0 566.1567883782691 7.056547 374 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 639.1984132458687 7.0575333 375 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 376.10095579196246 7.0580783 376 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 636.1987491589397 7.0582223 377 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 669.2090822640757 7.059758 378 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 404.1037971182775 7.1490583 379 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 50330.12 0 539.1376228314792 7.213836 380 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 341.10772029317184 7.2142 381 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 1007.3304722686656 7.2189083 382 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 120312.96 0 503.1611182989061 7.224993 383 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 406915.56 0 566.1568050838798 7.232582 384 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 165632.8 0 549.1666816899316 7.24799 385 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 66648.53 0 243.01747958499703 7.2602334 386 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 353.0719736718401 7.381283 387 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 728.2101972558147 7.3987937 388 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 665.2143682537479 7.400247 389 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 331.11350343417365 7.46043 390 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 293313.75 0 154.06172597466596 7.46527 391 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 711.219701545415 7.554122 392 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 665.2146918705007 7.555325 393 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 728.210304049564 7.558983 394 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 665.2144782338838 7.6589665 395 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 110179.99 0 154.06169743269285 7.675626 396 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 58726.47 0 131.08221250719097 7.6823187 397 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 521.3273246910464 7.6840444 398 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 99694.77 0 173.10395175344638 7.6845536 399 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 154.0616812406937 7.8202085 400 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 51363.54 0 145.0977860469393 7.8258553 401 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 195.0503885530922 7.8264165 402 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 165.0398028737673 7.828483 403 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 171.00600177800553 7.8455634 404 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 71899.52 0 171.00592826118296 7.9485 405 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 154.06166983247007 7.98075 406 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 195.05045159730776 7.9821835 407 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 131.08210329472166 7.9839334 408 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 333.0587423397049 8.207429 409 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 158.97797888260817 9.841453 410 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 0.0 0 289.9483832120276 9.841567 411 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML 63384.516 0 272.9585951265392 9.841882 1 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 93.03385290447436 1.3726889 2 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 342.2282842200452 1.3893917 3 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 774.5279624210174 1.4256333 4 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 414.1218492977562 1.4882333 5 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 54265.414 0 314.1968815601056 1.4933132 6 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 201.0761274655518 1.533225 7 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 217.10738466723123 1.5635065 8 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 93.04496836540216 1.59925 9 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 272.1496694202024 1.62595 10 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 802.5603771415259 1.6640555 11 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 178.05023404461056 1.6760334 12 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 188.94898253557048 1.7026334 13 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 204.12365316668223 1.7026334 14 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 83897.445 0 293.17860481195504 1.708019 15 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 776.5433957777306 1.751811 16 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 774.5288730138618 1.76045 17 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 67081.31 0 309.1736714811531 1.7619792 18 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 353.1994786176988 1.798662 19 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 202.1078766798916 1.80035 20 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 397.22625990072027 1.8235583 21 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 92138.94 0 171.06571659654227 1.827863 22 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 59637.3 0 127.07591121213706 1.8292907 23 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 258.1340381334496 1.8461833 24 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 316.2126434271194 1.8711833 25 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 89.0235512311677 1.8853583 26 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 244.11833914250303 1.8909167 27 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 194.08163019411083 1.92555 28 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 111.0194360568886 1.9417667 29 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 84069.78 0 167.03440596891804 1.9441166 30 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 216.1234363986188 1.9783 31 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 216.94379145047068 2.0031228 32 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 360.23881181531686 2.00415 33 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 64976.934 0 99.00803117810024 2.0057502 34 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 724612.44 0 117.01877083220012 2.0078368 35 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 156151.31 0 73.0285860830186 2.0082808 36 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 530.2785104120919 2.0152998 37 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 318.02785704601115 2.0189166 38 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 437.21358469950616 2.0189166 39 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 630932.8 0 218.1031052887504 2.024331 40 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 63853.348 0 88.03967650136562 2.0265 41 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 196330.3 0 742.5387858229274 2.043875 42 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 681661.8 0 716.522749977004 2.0675 43 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 89.02355611082942 2.0678582 44 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 195.06571730541225 2.0697334 45 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 360.2388161045092 2.0765834 46 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 230.10263502127668 2.0879667 47 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 702.5076365968943 2.0886 48 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 246.99120909765568 2.0927222 49 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 243.13437202348544 2.0970666 50 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 1021453.9 0 688.4919999607429 2.1007051 51 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 106531.07 0 660.4605446622179 2.128822 52 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 201.07597957430923 2.177861 53 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 222.0763033454145 2.181225 54 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 153.01862959637714 2.22745 55 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 403.1241872745805 2.2475874 56 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 151.0395460357251 2.2482166 57 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 349.06927581920576 2.2494724 58 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 233079.34 0 359.09750936117143 2.2495408 59 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 52578.414 0 89.02367397714102 2.2499542 60 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 260.1495206114146 2.2600918 61 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 208.06051489951616 2.2895334 62 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 229.1184198004067 2.297429 63 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 285.0608566468509 2.3280666 64 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 206.04552680170684 2.3593166 65 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 241.0350635576058 2.3800666 66 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 566.3457974096141 2.42135 67 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 362.2442056064621 2.4242666 68 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 160.03983663046114 2.44055 69 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 54612.59 0 161.0449419243981 2.48759 70 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 336.22903204045184 2.5179167 71 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 151.0606203206697 2.5271666 72 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 459.1136845440237 2.5279167 73 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 83737.27 0 687.5440678824715 2.5327036 74 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 165.0188311080946 2.5618834 75 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 144834.94 0 659.5124284446764 2.5621688 76 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 631.4810305663648 2.60535 77 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 246.134080266216 2.6086943 78 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 229.0710375000464 2.619675 79 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 215.1030108191725 2.6454399 80 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 365.1633183905246 2.64855 81 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 187.0411037236024 2.6628668 82 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 115.02029022867096 2.6806 83 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 463.10876429689966 2.6806 84 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 194.04522665628 2.7020664 85 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 132299.1 0 191.07267377279115 2.7035 86 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 123733.31 0 189.05612915029147 2.703886 87 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 205.049599795934 2.7047243 88 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 478.29335782667874 2.7097 89 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 245.04647653186083 2.7155416 90 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 217.0328329782935 2.7182 91 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 261.04062605310975 2.7182 92 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 173.02576793846893 2.7202168 93 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 205.0139200348532 2.7220578 94 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 246.0437565312131 2.7296085 95 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 203.0331934649314 2.7343335 96 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 247.03641790824423 2.7391334 97 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 102355.805 0 478.29358068357527 2.7805529 98 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 450.26276122576456 2.7924333 99 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 450.2623329483288 2.8485205 100 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 905.5637132131336 2.8517332 101 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 262524.94 0 452.2774502174688 2.8579333 102 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 453.2809182724429 2.8586445 103 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 60941.51 0 305.0683101668419 2.86956 104 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 187.04126450765307 2.8698082 105 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 417.1031486293373 2.8980167 106 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 553.1767620418868 2.8980167 107 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 509.1503466515295 2.902425 108 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 513.2188948283712 2.9071333 109 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 463.1090300636153 2.911446 110 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 379.1606913172725 2.9115334 111 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 424.24667016223407 2.9308333 112 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 287.16088355963427 2.942675 113 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 174822.1 0 151.02565353793702 2.960931 114 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 89.023644609207 2.96735 115 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 135.03064799851376 2.9680166 116 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 56201.797 0 299.0763710941055 2.999043 117 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 305.0693976881394 3.0389333 118 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 58752.645 0 279.03816479439735 3.069239 119 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 102511.234 0 495.11752787468345 3.0693083 120 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 95834.1 0 200.0559653389267 3.069594 121 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 513446.28 0 243.0615161475912 3.0696342 122 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 254.0665093188214 3.081675 123 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 441.161109644883 3.1197777 124 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 386.14498918221614 3.1430666 125 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 423.0946742362405 3.1635807 126 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 805.487208410837 3.1671333 127 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 808.5054019042612 3.1671333 128 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 431.1189294135333 3.212346 129 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 494.1149903010408 3.2123778 130 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 863.2466333941438 3.212346 131 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 231135.67 0 201.08767626698824 3.2730463 132 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 181.07116378738937 3.2767832 133 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 379.16044685174256 3.2937167 134 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 425.1659360092301 3.2939835 135 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 415.13719069716257 3.2972667 136 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 442.155774968465 3.2983918 137 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 508.2029935900176 3.3033278 138 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 233.0118147563065 3.30885 139 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 517836.53 0 128.0347547953409 3.3096147 140 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 65762.695 0 227.95989955231545 3.3166084 141 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 55417.336 0 279.0592001778712 3.3235333 142 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 338.10879131481295 3.3376334 143 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 427.12655414683854 3.3376334 144 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 510.1829772658847 3.34115 145 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 428.11891319497687 3.3887832 146 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 283.0844953165966 3.3931668 147 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 70368.11 0 299.076537947216 3.3932598 148 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 141588.97 0 188.0558698558908 3.4127185 149 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 417.1031192578657 3.4173584 150 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 141190.69 0 157.0137208641791 3.4216666 151 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 106569.26 0 175.02426445945224 3.4216666 152 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 128.03483206810057 3.4975834 153 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 389.107928268466 3.4981833 154 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 181.0711946932322 3.499129 155 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 167.07076991550073 3.5078166 156 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 229.07116449741457 3.5078166 157 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 256096.38 0 224.05584246171915 3.5101979 158 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 194.04517579040763 3.5137749 159 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 323.980758793017 3.5185165 160 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 417.1031244283464 3.5503209 161 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 243.0504114435401 3.63265 162 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 265.08267086505225 3.6427999 163 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 199.06057341944896 3.688 164 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 302781.72 0 356.134749942328 3.703332 165 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 185848.22 0 419.1298477158531 3.7040455 166 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 194.08204788413832 3.7056668 167 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 149438.03 0 535.153498026724 3.7377152 168 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 641486.0 0 267.0728731788562 3.7380428 169 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 89208.74 0 460.0941949935822 3.7703612 170 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 84768.586 0 597.3036309634889 3.795014 171 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 63602.43 0 595.2880331927124 3.8294923 172 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 60203.2 0 569.272570164922 3.881628 173 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 73462.79 0 443.1039304657232 3.904469 174 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 192201.1 0 460.0941466113717 3.9059274 175 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 609.1454009958121 3.9169166 176 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 380.1555981491749 3.9310918 177 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 54426.258 0 460.0942179014989 3.9996758 178 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 149995.94 0 174.04027048930095 4.0048795 179 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 123635.4 0 164.0712777998749 4.019053 180 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 267.07236610771326 4.021375 181 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 73725.086 0 243.06154493732188 4.062987 182 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 57703.086 0 130.08675740473896 4.075868 183 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 438.1249847087367 4.075875 184 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 255.0538490124228 4.1011667 185 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 610.1254175638578 4.1743746 186 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 130.08674229975747 4.2527947 187 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 438.12520688369233 4.313937 188 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 157.03625348981768 4.3502917 189 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 543.1574238804784 4.3728666 190 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 151.0607771303458 4.3767834 191 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 131529.22 0 335.04897978800653 4.3777795 192 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 954731.7 0 167.0207355171104 4.3789964 193 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 421.1347911525265 4.3812447 194 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 438.124941265219 4.395296 195 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 203.082047588306 4.41425 196 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 75394.41 0 282.0836542603278 4.5568447 197 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 628.1710371025724 4.55798 198 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 144.04477615488602 4.564833 199 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 188.034766919081 4.564833 200 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 524.1255615283701 4.6126666 201 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 367.104630367268 4.635317 202 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 299.0802359566191 4.64185 203 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 779.2247774857598 4.667946 204 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 452.10414488542216 4.6702 205 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 817.1808010064028 4.6849084 206 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 389.1080301124976 4.6864667 207 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 569.1715496717898 4.696128 208 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 367.1047812773522 4.6997166 209 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 416083.03 0 432.0990540283325 4.797717 210 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 116.07132090455258 4.821183 211 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 217.08229331545024 4.82535 212 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 129.01873958262698 4.8818 213 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 71380.164 0 194.9962343263711 4.8943667 214 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 100256.305 0 114.05555697742427 4.9093885 215 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 210.08781467637203 4.9962997 216 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 468.1103896237901 5.018025 217 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 432.0989539075161 5.0298166 218 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 200981.97 0 181.0713761240362 5.0403976 219 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 65948.06 0 128.95890600082953 5.1037683 220 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 296.8814541278168 5.105021 221 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 380.84315282991287 5.1079917 222 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 127747.43 0 181.071272950755 5.1460285 223 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 101.02381629960816 5.1541 224 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 163.06056434534895 5.1541 225 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 112415.95 0 499.0703057881917 5.163438 226 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 170148.27 0 443.1038964799561 5.165685 227 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 195611.05 0 369.1029343285206 5.1687927 228 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 507636.56 0 341.1079301552493 5.1698203 229 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 2657530.5 0 415.1087980866248 5.1698203 230 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 459.13419593571984 5.17145 231 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 460.09400170064487 5.1739388 232 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 73144.36 0 457.1193800823472 5.174943 233 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 613077.44 0 432.0990695220266 5.181081 234 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 166.01720005515804 5.214 235 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 210085.72 0 432.0989800342522 5.3009253 236 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 77210.55 0 415.1086843110904 5.315473 237 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 405.0798284861695 5.3195 238 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 451.0281055733943 5.331683 239 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 66055.586 0 382.0996065037789 5.385739 240 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 207995.92 0 432.09896431613015 5.3880396 241 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 78840.76 0 415.1085318941266 5.389007 242 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 50446.96 0 145.01354159582584 5.389917 243 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 55726.39 0 515.1248383471799 5.3930335 244 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 69980.61 0 405.0796264643786 5.393487 245 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 73599.25 0 424.03098378026766 5.456037 246 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 61466.95 0 367.1047873594568 5.4570303 247 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 51895.72 0 412.0307193028139 5.458311 248 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 176.05600561949558 5.4596334 249 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 101.02411049907369 5.461233 250 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 117100.484 0 187.1083709787572 5.461539 251 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 405.1022514486804 5.463267 252 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 129.01861385255603 5.4634666 253 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 58902.004 0 147.0294478207034 5.464097 254 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 255506.77 0 305.0172190765626 5.476954 255 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 112462.4 0 111.0194704191449 5.477995 256 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 217.0824040021517 5.5011115 257 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 277.05565971217914 5.5685334 258 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 196.0720240373712 5.58455 259 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 551.1614849862333 5.6060915 260 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 283.10253817634674 5.7462 261 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 156.02736476117448 5.758633 262 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 59827.234 0 248.9600051669244 5.7871222 263 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 118.05035977699346 5.8386555 264 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 228124.78 0 259.0907503601495 5.8413315 265 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 128310.016 0 460.1664679318693 5.8587503 266 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 78041.66 0 265.0472798894507 5.858887 267 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 271.00329828652764 5.8667593 268 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 124359.76 0 124.00674032888124 5.8679786 269 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 93374.03 0 466.1233082645099 5.868708 270 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 118.05014916974848 5.9411335 271 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 351.066157153057 5.955333 272 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 310148.3 0 164.03809929373168 5.9858584 273 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 347.07438732956035 6.0060782 274 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 223.04523296205983 6.0157833 275 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 147.02954730833488 6.016025 276 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 196.06061180570688 6.016033 277 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 203.1031963567522 6.0169616 278 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 573.1586869662842 6.0181003 279 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 153.86829758795886 6.0183167 280 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 99058.16 0 160.8416075252179 6.020707 281 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 97722.9 0 162.83880315898347 6.0247035 282 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 73239.3 0 567.1328594557078 6.026056 283 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 164.83651664061142 6.028525 284 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 227811.61 0 341.1080752584267 6.030564 285 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 369.1302497421924 6.031767 286 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 239551.48 0 380.0857909089604 6.0329294 287 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 3658744.0 0 377.0853877019091 6.0334697 288 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 178516.58 0 195.81007549199188 6.043524 289 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 85.0288472850776 6.044833 290 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 72867.484 0 351.08799735586126 6.0465736 291 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 198585.66 0 349.0902138225881 6.0477557 292 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 218697.31 0 197.8074497387195 6.054078 293 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 112711.21 0 199.80439376830344 6.0627675 294 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 255.8216864715141 6.079925 295 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 257.81861162176403 6.079925 296 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 281.08741257016163 6.1120167 297 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 567.1324168546579 6.1245666 298 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 441101.8 0 377.0854177368436 6.134367 299 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 99887.414 0 127.05073512031956 6.165503 300 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 408281.47 0 145.06137850885108 6.168286 301 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 97151.83 0 313.1124922125512 6.1688643 302 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 1176978.8 0 487.1775502317557 6.17469 303 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 122783.29 0 341.10795982306786 6.1759744 304 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 85.02886994359115 6.17615 305 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 78745.48 0 161.04505752833575 6.177401 306 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 179.05560208522587 6.178625 307 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 180241.9 0 404.1037571904742 6.1822033 308 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 683.2247494213096 6.185875 309 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 533.1351576222935 6.1863747 310 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 337.076704021333 6.2700667 311 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 285.0815198256679 6.274747 312 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 58685.703 0 131.04576483269466 6.279371 313 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 105008.37 0 473.1622238214856 6.294035 314 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 230.1140651678797 6.3078 315 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 85.02880262464393 6.31735 316 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 231.05892086463408 6.3180666 317 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 314.1243286941705 6.3269167 318 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 189456.23 0 446.151054532339 6.3333964 319 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 369.1298211998426 6.3335333 320 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 96679.3 0 341.10795574462634 6.3776975 321 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 82936.82 0 161.04510410260008 6.3806043 322 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 123549.43 0 683.2247429059362 6.3815837 323 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 404.1038655823881 6.382323 324 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 377.0853176704404 6.3833137 325 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 221.06585296417336 6.3838334 326 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 179.05543279200992 6.383917 327 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 74117.195 0 102.05554943706493 6.4241996 328 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 114482.31 0 128.0348326127384 6.425373 329 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 852.2605059727284 6.42592 330 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 967812.2 0 146.0453959072269 6.429987 331 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 541.1171038177423 6.431733 332 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 223.04526313136947 6.4318833 333 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 1419170.2 0 488.1618629347416 6.4328423 334 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 67908.14 0 179.05555411847763 6.4345336 335 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 511.1430137507941 6.439658 336 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 533.1351540532298 6.439658 337 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 467.1167526783238 6.439775 338 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 276894.16 0 377.0853413433481 6.4412994 339 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 431.1042339825117 6.4426746 340 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 719.2019545797923 6.442898 341 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 3137096.0 0 341.1080955681797 6.457898 342 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 9844419.0 0 387.1136618915369 6.457898 343 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 131259.67 0 683.2249539098053 6.4584427 344 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 73808.06 0 390.1218790278056 6.4588284 345 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 234020.78 0 729.2302300017724 6.4595413 346 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 58741.504 0 446.15107530207285 6.461315 347 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 473.16252597984845 6.473417 348 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 447.1374213141028 6.47365 349 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 835299.75 0 404.1039498471663 6.4754333 350 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 179.05550223928677 6.5288167 351 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 377.0852297507381 6.6390166 352 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 214.04814591062063 6.6682 353 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 306.07624420267746 6.683367 354 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 165.03984875364597 6.7459664 355 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 179.05550389368108 6.7470417 356 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 404.1037504816566 6.7487497 357 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 341.10784945223566 6.7492 358 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 377.0850790905292 6.7492 359 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 566.1565289752311 6.7732 360 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 86374.27 0 243.01754702128204 6.8341208 361 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 549.1665078936674 6.8809843 362 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 63386.09 0 566.1567208219295 6.8828635 363 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 503.16101714867375 6.8843307 364 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 669.2088742149062 6.8851833 365 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 158952.83 0 337.077016568431 6.8977365 366 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 566.156561804381 6.9667916 367 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 267.0713044932404 7.0074997 368 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 243.0175912669956 7.0202 369 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 55707.008 0 539.1377776447937 7.053332 370 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 66052.39 0 1007.3307357121904 7.0553904 371 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 230905.95 0 549.1666558285273 7.055967 372 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 168506.4 0 503.1611043196567 7.056547 373 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 602390.7 0 566.1567883782691 7.056547 374 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 639.1984132458687 7.0575333 375 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 59734.12 0 376.10095579196246 7.0580783 376 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 636.1987491589397 7.0582223 377 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 669.2090822640757 7.059758 378 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 52800.95 0 404.1037971182775 7.1490583 379 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 52787.766 0 539.1376228314792 7.213836 380 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 54404.848 0 341.10772029317184 7.2142 381 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 50120.117 0 1007.3304722686656 7.2189083 382 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 180589.64 0 503.1611182989061 7.224993 383 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 486163.06 0 566.1568050838798 7.232582 384 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 206517.7 0 549.1666816899316 7.24799 385 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 50974.61 0 243.01747958499703 7.2602334 386 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 353.0719736718401 7.381283 387 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 728.2101972558147 7.3987937 388 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 665.2143682537479 7.400247 389 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 331.11350343417365 7.46043 390 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 305713.22 0 154.06172597466596 7.46527 391 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 711.219701545415 7.554122 392 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 665.2146918705007 7.555325 393 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 728.210304049564 7.558983 394 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 665.2144782338838 7.6589665 395 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 101749.805 0 154.06169743269285 7.675626 396 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 83178.7 0 131.08221250719097 7.6823187 397 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 66662.66 0 521.3273246910464 7.6840444 398 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 138553.98 0 173.10395175344638 7.6845536 399 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 66668.13 0 154.0616812406937 7.8202085 400 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 152455.02 0 145.0977860469393 7.8258553 401 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 195.0503885530922 7.8264165 402 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 165.0398028737673 7.828483 403 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 171.00600177800553 7.8455634 404 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 62944.246 0 171.00592826118296 7.9485 405 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 154.06166983247007 7.98075 406 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 195.05045159730776 7.9821835 407 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 131.08210329472166 7.9839334 408 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 0.0 0 333.0587423397049 8.207429 409 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 65344.35 0 158.97797888260817 9.841453 410 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 54342.426 0 289.9483832120276 9.841567 411 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML 110294.36 0 272.9585951265392 9.841882 1 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 93.03385290447436 1.3726889 2 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 342.2282842200452 1.3893917 3 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 774.5279624210174 1.4256333 4 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 414.1218492977562 1.4882333 5 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 179193.69 0 314.1968815601056 1.4933132 6 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 201.0761274655518 1.533225 7 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 217.10738466723123 1.5635065 8 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 93.04496836540216 1.59925 9 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 272.1496694202024 1.62595 10 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 802.5603771415259 1.6640555 11 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 178.05023404461056 1.6760334 12 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 55451.85 0 188.94898253557048 1.7026334 13 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 116381.49 0 204.12365316668223 1.7026334 14 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 56248.297 0 293.17860481195504 1.708019 15 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 776.5433957777306 1.751811 16 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 774.5288730138618 1.76045 17 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 309.1736714811531 1.7619792 18 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 353.1994786176988 1.798662 19 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 202.1078766798916 1.80035 20 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 397.22625990072027 1.8235583 21 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 70084.74 0 171.06571659654227 1.827863 22 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 127.07591121213706 1.8292907 23 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 258.1340381334496 1.8461833 24 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 316.2126434271194 1.8711833 25 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 89.0235512311677 1.8853583 26 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 244.11833914250303 1.8909167 27 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 194.08163019411083 1.92555 28 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 111.0194360568886 1.9417667 29 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 130567.64 0 167.03440596891804 1.9441166 30 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 216.1234363986188 1.9783 31 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 109718.17 0 216.94379145047068 2.0031228 32 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 360.23881181531686 2.00415 33 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 99.00803117810024 2.0057502 34 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 578060.4 0 117.01877083220012 2.0078368 35 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 128375.734 0 73.0285860830186 2.0082808 36 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 530.2785104120919 2.0152998 37 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 62916.03 0 318.02785704601115 2.0189166 38 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 79999.19 0 437.21358469950616 2.0189166 39 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 703405.25 0 218.1031052887504 2.024331 40 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 88.03967650136562 2.0265 41 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 182248.64 0 742.5387858229274 2.043875 42 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 613040.4 0 716.522749977004 2.0675 43 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 89.02355611082942 2.0678582 44 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 195.06571730541225 2.0697334 45 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 360.2388161045092 2.0765834 46 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 230.10263502127668 2.0879667 47 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 702.5076365968943 2.0886 48 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 246.99120909765568 2.0927222 49 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 243.13437202348544 2.0970666 50 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 1142768.5 0 688.4919999607429 2.1007051 51 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 137304.3 0 660.4605446622179 2.128822 52 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 201.07597957430923 2.177861 53 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 222.0763033454145 2.181225 54 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 153.01862959637714 2.22745 55 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 403.1241872745805 2.2475874 56 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 151.0395460357251 2.2482166 57 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 349.06927581920576 2.2494724 58 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 270911.3 0 359.09750936117143 2.2495408 59 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 89.02367397714102 2.2499542 60 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 260.1495206114146 2.2600918 61 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 208.06051489951616 2.2895334 62 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 229.1184198004067 2.297429 63 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 285.0608566468509 2.3280666 64 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 206.04552680170684 2.3593166 65 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 241.0350635576058 2.3800666 66 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 566.3457974096141 2.42135 67 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 362.2442056064621 2.4242666 68 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 160.03983663046114 2.44055 69 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 161.0449419243981 2.48759 70 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 336.22903204045184 2.5179167 71 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 151.0606203206697 2.5271666 72 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 459.1136845440237 2.5279167 73 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 59143.324 0 687.5440678824715 2.5327036 74 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 165.0188311080946 2.5618834 75 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 113077.68 0 659.5124284446764 2.5621688 76 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 631.4810305663648 2.60535 77 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 246.134080266216 2.6086943 78 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 229.0710375000464 2.619675 79 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 215.1030108191725 2.6454399 80 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 365.1633183905246 2.64855 81 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 187.0411037236024 2.6628668 82 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 115.02029022867096 2.6806 83 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 463.10876429689966 2.6806 84 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 194.04522665628 2.7020664 85 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 191.07267377279115 2.7035 86 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 189.05612915029147 2.703886 87 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 84215.77 0 205.049599795934 2.7047243 88 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 478.29335782667874 2.7097 89 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 245.04647653186083 2.7155416 90 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 217.0328329782935 2.7182 91 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 261.04062605310975 2.7182 92 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 173.02576793846893 2.7202168 93 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 60486.605 0 205.0139200348532 2.7220578 94 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 246.0437565312131 2.7296085 95 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 203.0331934649314 2.7343335 96 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 247.03641790824423 2.7391334 97 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 94309.3 0 478.29358068357527 2.7805529 98 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 450.26276122576456 2.7924333 99 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 450.2623329483288 2.8485205 100 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 905.5637132131336 2.8517332 101 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 252395.33 0 452.2774502174688 2.8579333 102 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 453.2809182724429 2.8586445 103 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 305.0683101668419 2.86956 104 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 187.04126450765307 2.8698082 105 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 417.1031486293373 2.8980167 106 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 553.1767620418868 2.8980167 107 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 509.1503466515295 2.902425 108 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 513.2188948283712 2.9071333 109 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 463.1090300636153 2.911446 110 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 379.1606913172725 2.9115334 111 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 424.24667016223407 2.9308333 112 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 287.16088355963427 2.942675 113 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 297066.72 0 151.02565353793702 2.960931 114 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 89.023644609207 2.96735 115 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 135.03064799851376 2.9680166 116 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 70089.164 0 299.0763710941055 2.999043 117 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 305.0693976881394 3.0389333 118 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 279.03816479439735 3.069239 119 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 495.11752787468345 3.0693083 120 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 63140.816 0 200.0559653389267 3.069594 121 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 328623.78 0 243.0615161475912 3.0696342 122 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 254.0665093188214 3.081675 123 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 441.161109644883 3.1197777 124 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 386.14498918221614 3.1430666 125 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 175306.73 0 423.0946742362405 3.1635807 126 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 805.487208410837 3.1671333 127 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 808.5054019042612 3.1671333 128 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 431.1189294135333 3.212346 129 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 494.1149903010408 3.2123778 130 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 863.2466333941438 3.212346 131 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 151897.14 0 201.08767626698824 3.2730463 132 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 181.07116378738937 3.2767832 133 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 379.16044685174256 3.2937167 134 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 425.1659360092301 3.2939835 135 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 415.13719069716257 3.2972667 136 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 442.155774968465 3.2983918 137 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 508.2029935900176 3.3033278 138 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 233.0118147563065 3.30885 139 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 303628.88 0 128.0347547953409 3.3096147 140 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 227.95989955231545 3.3166084 141 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 279.0592001778712 3.3235333 142 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 338.10879131481295 3.3376334 143 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 427.12655414683854 3.3376334 144 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 510.1829772658847 3.34115 145 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 428.11891319497687 3.3887832 146 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 283.0844953165966 3.3931668 147 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 299.076537947216 3.3932598 148 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 103939.164 0 188.0558698558908 3.4127185 149 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 417.1031192578657 3.4173584 150 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 157.0137208641791 3.4216666 151 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 175.02426445945224 3.4216666 152 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 128.03483206810057 3.4975834 153 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 389.107928268466 3.4981833 154 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 181.0711946932322 3.499129 155 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 167.07076991550073 3.5078166 156 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 229.07116449741457 3.5078166 157 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 81878.29 0 224.05584246171915 3.5101979 158 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 194.04517579040763 3.5137749 159 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 323.980758793017 3.5185165 160 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 417.1031244283464 3.5503209 161 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 243.0504114435401 3.63265 162 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 265.08267086505225 3.6427999 163 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 199.06057341944896 3.688 164 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 336565.94 0 356.134749942328 3.703332 165 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 206449.78 0 419.1298477158531 3.7040455 166 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 194.08204788413832 3.7056668 167 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 86547.13 0 535.153498026724 3.7377152 168 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 425690.8 0 267.0728731788562 3.7380428 169 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 78211.42 0 460.0941949935822 3.7703612 170 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 61459.465 0 597.3036309634889 3.795014 171 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 53135.562 0 595.2880331927124 3.8294923 172 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 51610.887 0 569.272570164922 3.881628 173 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 67158.12 0 443.1039304657232 3.904469 174 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 188693.1 0 460.0941466113717 3.9059274 175 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 609.1454009958121 3.9169166 176 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 380.1555981491749 3.9310918 177 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 60196.06 0 460.0942179014989 3.9996758 178 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 125616.0 0 174.04027048930095 4.0048795 179 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 94839.95 0 164.0712777998749 4.019053 180 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 267.07236610771326 4.021375 181 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 60773.105 0 243.06154493732188 4.062987 182 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 130.08675740473896 4.075868 183 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 438.1249847087367 4.075875 184 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 255.0538490124228 4.1011667 185 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 610.1254175638578 4.1743746 186 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 130.08674229975747 4.2527947 187 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 438.12520688369233 4.313937 188 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 157.03625348981768 4.3502917 189 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 543.1574238804784 4.3728666 190 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 151.0607771303458 4.3767834 191 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 98208.79 0 335.04897978800653 4.3777795 192 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 795442.6 0 167.0207355171104 4.3789964 193 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 421.1347911525265 4.3812447 194 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 438.124941265219 4.395296 195 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 203.082047588306 4.41425 196 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 56148.07 0 282.0836542603278 4.5568447 197 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 628.1710371025724 4.55798 198 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 144.04477615488602 4.564833 199 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 188.034766919081 4.564833 200 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 524.1255615283701 4.6126666 201 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 367.104630367268 4.635317 202 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 299.0802359566191 4.64185 203 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 779.2247774857598 4.667946 204 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 452.10414488542216 4.6702 205 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 817.1808010064028 4.6849084 206 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 389.1080301124976 4.6864667 207 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 569.1715496717898 4.696128 208 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 367.1047812773522 4.6997166 209 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 86000.06 0 432.0990540283325 4.797717 210 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 116.07132090455258 4.821183 211 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 217.08229331545024 4.82535 212 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 55821.426 0 129.01873958262698 4.8818 213 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 194.9962343263711 4.8943667 214 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 127752.03 0 114.05555697742427 4.9093885 215 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 210.08781467637203 4.9962997 216 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 468.1103896237901 5.018025 217 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 432.0989539075161 5.0298166 218 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 161597.75 0 181.0713761240362 5.0403976 219 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 128.95890600082953 5.1037683 220 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 296.8814541278168 5.105021 221 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 380.84315282991287 5.1079917 222 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 95176.19 0 181.071272950755 5.1460285 223 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 101.02381629960816 5.1541 224 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 163.06056434534895 5.1541 225 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 91453.16 0 499.0703057881917 5.163438 226 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 119219.48 0 443.1038964799561 5.165685 227 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 168322.67 0 369.1029343285206 5.1687927 228 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 438643.44 0 341.1079301552493 5.1698203 229 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 2280573.8 0 415.1087980866248 5.1698203 230 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 459.13419593571984 5.17145 231 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 61610.36 0 460.09400170064487 5.1739388 232 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 128987.99 0 457.1193800823472 5.174943 233 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 877999.4 0 432.0990695220266 5.181081 234 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 166.01720005515804 5.214 235 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 201185.06 0 432.0989800342522 5.3009253 236 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 415.1086843110904 5.315473 237 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 405.0798284861695 5.3195 238 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 451.0281055733943 5.331683 239 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 382.0996065037789 5.385739 240 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 224462.77 0 432.09896431613015 5.3880396 241 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 81088.23 0 415.1085318941266 5.389007 242 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 145.01354159582584 5.389917 243 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 515.1248383471799 5.3930335 244 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 89487.18 0 405.0796264643786 5.393487 245 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 115507.21 0 424.03098378026766 5.456037 246 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 81566.13 0 367.1047873594568 5.4570303 247 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 412.0307193028139 5.458311 248 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 176.05600561949558 5.4596334 249 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 101.02411049907369 5.461233 250 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 84916.984 0 187.1083709787572 5.461539 251 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 405.1022514486804 5.463267 252 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 129.01861385255603 5.4634666 253 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 147.0294478207034 5.464097 254 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 158368.69 0 305.0172190765626 5.476954 255 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 69414.016 0 111.0194704191449 5.477995 256 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 217.0824040021517 5.5011115 257 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 277.05565971217914 5.5685334 258 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 196.0720240373712 5.58455 259 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 551.1614849862333 5.6060915 260 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 283.10253817634674 5.7462 261 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 156.02736476117448 5.758633 262 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 62908.848 0 248.9600051669244 5.7871222 263 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 85888.055 0 118.05035977699346 5.8386555 264 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 243369.9 0 259.0907503601495 5.8413315 265 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 84485.664 0 460.1664679318693 5.8587503 266 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 101398.02 0 265.0472798894507 5.858887 267 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 271.00329828652764 5.8667593 268 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 153677.53 0 124.00674032888124 5.8679786 269 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 466.1233082645099 5.868708 270 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 118.05014916974848 5.9411335 271 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 351.066157153057 5.955333 272 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 336821.03 0 164.03809929373168 5.9858584 273 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 347.07438732956035 6.0060782 274 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 223.04523296205983 6.0157833 275 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 147.02954730833488 6.016025 276 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 196.06061180570688 6.016033 277 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 203.1031963567522 6.0169616 278 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 573.1586869662842 6.0181003 279 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 53098.16 0 153.86829758795886 6.0183167 280 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 125086.58 0 160.8416075252179 6.020707 281 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 126213.29 0 162.83880315898347 6.0247035 282 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 85293.59 0 567.1328594557078 6.026056 283 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 56191.113 0 164.83651664061142 6.028525 284 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 341.1080752584267 6.030564 285 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 369.1302497421924 6.031767 286 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 380.0857909089604 6.0329294 287 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 762992.94 0 377.0853877019091 6.0334697 288 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 248968.33 0 195.81007549199188 6.043524 289 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 85.0288472850776 6.044833 290 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 54703.395 0 351.08799735586126 6.0465736 291 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 142522.23 0 349.0902138225881 6.0477557 292 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 305353.53 0 197.8074497387195 6.054078 293 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 154943.02 0 199.80439376830344 6.0627675 294 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 255.8216864715141 6.079925 295 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 257.81861162176403 6.079925 296 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 281.08741257016163 6.1120167 297 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 567.1324168546579 6.1245666 298 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 224174.95 0 377.0854177368436 6.134367 299 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 120164.07 0 127.05073512031956 6.165503 300 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 446254.7 0 145.06137850885108 6.168286 301 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 106934.336 0 313.1124922125512 6.1688643 302 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 300967.62 0 487.1775502317557 6.17469 303 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 341.10795982306786 6.1759744 304 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 85.02886994359115 6.17615 305 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 161.04505752833575 6.177401 306 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 179.05560208522587 6.178625 307 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 82730.234 0 404.1037571904742 6.1822033 308 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 683.2247494213096 6.185875 309 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 533.1351576222935 6.1863747 310 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 337.076704021333 6.2700667 311 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 57248.504 0 285.0815198256679 6.274747 312 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 131.04576483269466 6.279371 313 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 53239.457 0 473.1622238214856 6.294035 314 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 230.1140651678797 6.3078 315 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 85.02880262464393 6.31735 316 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 231.05892086463408 6.3180666 317 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 314.1243286941705 6.3269167 318 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 111259.17 0 446.151054532339 6.3333964 319 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 369.1298211998426 6.3335333 320 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 341.10795574462634 6.3776975 321 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 161.04510410260008 6.3806043 322 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 683.2247429059362 6.3815837 323 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 404.1038655823881 6.382323 324 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 83086.055 0 377.0853176704404 6.3833137 325 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 221.06585296417336 6.3838334 326 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 179.05543279200992 6.383917 327 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 102.05554943706493 6.4241996 328 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 68226.21 0 128.0348326127384 6.425373 329 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 852.2605059727284 6.42592 330 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 574694.0 0 146.0453959072269 6.429987 331 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 541.1171038177423 6.431733 332 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 223.04526313136947 6.4318833 333 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 867642.6 0 488.1618629347416 6.4328423 334 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 179.05555411847763 6.4345336 335 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 511.1430137507941 6.439658 336 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 533.1351540532298 6.439658 337 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 467.1167526783238 6.439775 338 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 244001.36 0 377.0853413433481 6.4412994 339 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 431.1042339825117 6.4426746 340 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 719.2019545797923 6.442898 341 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 2521329.2 0 341.1080955681797 6.457898 342 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 8079592.0 0 387.1136618915369 6.457898 343 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 108699.88 0 683.2249539098053 6.4584427 344 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 390.1218790278056 6.4588284 345 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 200720.72 0 729.2302300017724 6.4595413 346 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 73855.43 0 446.15107530207285 6.461315 347 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 473.16252597984845 6.473417 348 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 447.1374213141028 6.47365 349 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 833271.7 0 404.1039498471663 6.4754333 350 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 179.05550223928677 6.5288167 351 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 377.0852297507381 6.6390166 352 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 214.04814591062063 6.6682 353 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 306.07624420267746 6.683367 354 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 165.03984875364597 6.7459664 355 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 179.05550389368108 6.7470417 356 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 404.1037504816566 6.7487497 357 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 341.10784945223566 6.7492 358 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 377.0850790905292 6.7492 359 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 566.1565289752311 6.7732 360 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 63881.844 0 243.01754702128204 6.8341208 361 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 549.1665078936674 6.8809843 362 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 566.1567208219295 6.8828635 363 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 503.16101714867375 6.8843307 364 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 669.2088742149062 6.8851833 365 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 146983.16 0 337.077016568431 6.8977365 366 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 566.156561804381 6.9667916 367 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 267.0713044932404 7.0074997 368 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 243.0175912669956 7.0202 369 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 539.1377776447937 7.053332 370 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 1007.3307357121904 7.0553904 371 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 213416.92 0 549.1666558285273 7.055967 372 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 102607.27 0 503.1611043196567 7.056547 373 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 565691.5 0 566.1567883782691 7.056547 374 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 639.1984132458687 7.0575333 375 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 79892.65 0 376.10095579196246 7.0580783 376 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 636.1987491589397 7.0582223 377 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 669.2090822640757 7.059758 378 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 404.1037971182775 7.1490583 379 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 539.1376228314792 7.213836 380 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 341.10772029317184 7.2142 381 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 1007.3304722686656 7.2189083 382 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 101461.43 0 503.1611182989061 7.224993 383 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 428815.2 0 566.1568050838798 7.232582 384 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 195302.56 0 549.1666816899316 7.24799 385 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 243.01747958499703 7.2602334 386 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 353.0719736718401 7.381283 387 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 728.2101972558147 7.3987937 388 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 665.2143682537479 7.400247 389 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 56730.516 0 331.11350343417365 7.46043 390 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 412165.78 0 154.06172597466596 7.46527 391 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 711.219701545415 7.554122 392 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 665.2146918705007 7.555325 393 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 728.210304049564 7.558983 394 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 55007.27 0 665.2144782338838 7.6589665 395 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 129868.09 0 154.06169743269285 7.675626 396 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 63117.062 0 131.08221250719097 7.6823187 397 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 521.3273246910464 7.6840444 398 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 103960.1 0 173.10395175344638 7.6845536 399 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 77751.16 0 154.0616812406937 7.8202085 400 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 107302.45 0 145.0977860469393 7.8258553 401 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 195.0503885530922 7.8264165 402 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 165.0398028737673 7.828483 403 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 77144.42 0 171.00600177800553 7.8455634 404 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 171.00592826118296 7.9485 405 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 154.06166983247007 7.98075 406 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 195.05045159730776 7.9821835 407 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 131.08210329472166 7.9839334 408 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 333.0587423397049 8.207429 409 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 50094.72 0 158.97797888260817 9.841453 410 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 0.0 0 289.9483832120276 9.841567 411 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML 80915.9 0 272.9585951265392 9.841882 1 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 93.03385290447436 1.3726889 2 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 64574.824 0 342.2282842200452 1.3893917 3 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 774.5279624210174 1.4256333 4 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 414.1218492977562 1.4882333 5 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 299848.4 0 314.1968815601056 1.4933132 6 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 201.0761274655518 1.533225 7 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 217.10738466723123 1.5635065 8 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 93.04496836540216 1.59925 9 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 272.1496694202024 1.62595 10 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 802.5603771415259 1.6640555 11 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 178.05023404461056 1.6760334 12 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 188.94898253557048 1.7026334 13 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 204.12365316668223 1.7026334 14 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 138827.52 0 293.17860481195504 1.708019 15 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 776.5433957777306 1.751811 16 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 774.5288730138618 1.76045 17 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 173161.44 0 309.1736714811531 1.7619792 18 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 102777.76 0 353.1994786176988 1.798662 19 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 202.1078766798916 1.80035 20 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 58480.992 0 397.22625990072027 1.8235583 21 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 105343.32 0 171.06571659654227 1.827863 22 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 68142.9 0 127.07591121213706 1.8292907 23 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 258.1340381334496 1.8461833 24 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 316.2126434271194 1.8711833 25 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 89.0235512311677 1.8853583 26 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 244.11833914250303 1.8909167 27 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 194.08163019411083 1.92555 28 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 111.0194360568886 1.9417667 29 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 76788.83 0 167.03440596891804 1.9441166 30 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 216.1234363986188 1.9783 31 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 216.94379145047068 2.0031228 32 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 360.23881181531686 2.00415 33 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 99.00803117810024 2.0057502 34 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 117.01877083220012 2.0078368 35 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 73.0285860830186 2.0082808 36 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 530.2785104120919 2.0152998 37 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 318.02785704601115 2.0189166 38 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 437.21358469950616 2.0189166 39 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 693950.1 0 218.1031052887504 2.024331 40 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 69352.07 0 88.03967650136562 2.0265 41 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 227981.17 0 742.5387858229274 2.043875 42 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 677733.56 0 716.522749977004 2.0675 43 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 89.02355611082942 2.0678582 44 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 195.06571730541225 2.0697334 45 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 360.2388161045092 2.0765834 46 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 230.10263502127668 2.0879667 47 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 702.5076365968943 2.0886 48 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 246.99120909765568 2.0927222 49 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 243.13437202348544 2.0970666 50 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 1224809.8 0 688.4919999607429 2.1007051 51 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 175925.42 0 660.4605446622179 2.128822 52 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 201.07597957430923 2.177861 53 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 222.0763033454145 2.181225 54 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 153.01862959637714 2.22745 55 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 81678.625 0 403.1241872745805 2.2475874 56 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 73161.66 0 151.0395460357251 2.2482166 57 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 66064.0 0 349.06927581920576 2.2494724 58 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 321742.97 0 359.09750936117143 2.2495408 59 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 52120.05 0 89.02367397714102 2.2499542 60 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 260.1495206114146 2.2600918 61 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 208.06051489951616 2.2895334 62 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 229.1184198004067 2.297429 63 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 285.0608566468509 2.3280666 64 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 206.04552680170684 2.3593166 65 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 241.0350635576058 2.3800666 66 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 566.3457974096141 2.42135 67 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 362.2442056064621 2.4242666 68 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 160.03983663046114 2.44055 69 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 161.0449419243981 2.48759 70 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 336.22903204045184 2.5179167 71 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 151.0606203206697 2.5271666 72 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 459.1136845440237 2.5279167 73 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 101626.195 0 687.5440678824715 2.5327036 74 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 165.0188311080946 2.5618834 75 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 205062.66 0 659.5124284446764 2.5621688 76 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 631.4810305663648 2.60535 77 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 246.134080266216 2.6086943 78 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 229.0710375000464 2.619675 79 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 215.1030108191725 2.6454399 80 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 365.1633183905246 2.64855 81 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 187.0411037236024 2.6628668 82 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 115.02029022867096 2.6806 83 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 463.10876429689966 2.6806 84 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 102736.56 0 194.04522665628 2.7020664 85 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 191.07267377279115 2.7035 86 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 189.05612915029147 2.703886 87 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 205.049599795934 2.7047243 88 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 478.29335782667874 2.7097 89 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 245.04647653186083 2.7155416 90 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 217.0328329782935 2.7182 91 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 261.04062605310975 2.7182 92 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 173.02576793846893 2.7202168 93 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 51723.992 0 205.0139200348532 2.7220578 94 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 246.0437565312131 2.7296085 95 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 203.0331934649314 2.7343335 96 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 247.03641790824423 2.7391334 97 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 137966.84 0 478.29358068357527 2.7805529 98 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 450.26276122576456 2.7924333 99 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 62558.625 0 450.2623329483288 2.8485205 100 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 905.5637132131336 2.8517332 101 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 223240.55 0 452.2774502174688 2.8579333 102 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 60398.87 0 453.2809182724429 2.8586445 103 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 305.0683101668419 2.86956 104 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 187.04126450765307 2.8698082 105 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 417.1031486293373 2.8980167 106 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 553.1767620418868 2.8980167 107 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 509.1503466515295 2.902425 108 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 513.2188948283712 2.9071333 109 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 463.1090300636153 2.911446 110 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 379.1606913172725 2.9115334 111 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 424.24667016223407 2.9308333 112 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 287.16088355963427 2.942675 113 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 80323.016 0 151.02565353793702 2.960931 114 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 89.023644609207 2.96735 115 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 135.03064799851376 2.9680166 116 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 126820.61 0 299.0763710941055 2.999043 117 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 305.0693976881394 3.0389333 118 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 57875.44 0 279.03816479439735 3.069239 119 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 495.11752787468345 3.0693083 120 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 98509.23 0 200.0559653389267 3.069594 121 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 526791.0 0 243.0615161475912 3.0696342 122 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 254.0665093188214 3.081675 123 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 441.161109644883 3.1197777 124 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 83474.11 0 386.14498918221614 3.1430666 125 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 423.0946742362405 3.1635807 126 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 805.487208410837 3.1671333 127 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 808.5054019042612 3.1671333 128 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 431.1189294135333 3.212346 129 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 494.1149903010408 3.2123778 130 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 863.2466333941438 3.212346 131 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 157821.98 0 201.08767626698824 3.2730463 132 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 181.07116378738937 3.2767832 133 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 379.16044685174256 3.2937167 134 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 425.1659360092301 3.2939835 135 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 415.13719069716257 3.2972667 136 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 442.155774968465 3.2983918 137 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 508.2029935900176 3.3033278 138 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 233.0118147563065 3.30885 139 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 202849.19 0 128.0347547953409 3.3096147 140 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 227.95989955231545 3.3166084 141 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 279.0592001778712 3.3235333 142 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 338.10879131481295 3.3376334 143 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 427.12655414683854 3.3376334 144 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 510.1829772658847 3.34115 145 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 428.11891319497687 3.3887832 146 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 283.0844953165966 3.3931668 147 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 299.076537947216 3.3932598 148 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 90765.41 0 188.0558698558908 3.4127185 149 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 417.1031192578657 3.4173584 150 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 157.0137208641791 3.4216666 151 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 175.02426445945224 3.4216666 152 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 128.03483206810057 3.4975834 153 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 389.107928268466 3.4981833 154 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 181.0711946932322 3.499129 155 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 167.07076991550073 3.5078166 156 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 229.07116449741457 3.5078166 157 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 327114.16 0 224.05584246171915 3.5101979 158 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 194.04517579040763 3.5137749 159 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 323.980758793017 3.5185165 160 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 417.1031244283464 3.5503209 161 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 243.0504114435401 3.63265 162 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 265.08267086505225 3.6427999 163 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 199.06057341944896 3.688 164 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 435059.44 0 356.134749942328 3.703332 165 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 277612.44 0 419.1298477158531 3.7040455 166 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 65172.582 0 194.08204788413832 3.7056668 167 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 155867.75 0 535.153498026724 3.7377152 168 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 712774.9 0 267.0728731788562 3.7380428 169 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 85072.414 0 460.0941949935822 3.7703612 170 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 62879.51 0 597.3036309634889 3.795014 171 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 53836.24 0 595.2880331927124 3.8294923 172 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 50146.21 0 569.272570164922 3.881628 173 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 443.1039304657232 3.904469 174 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 201423.81 0 460.0941466113717 3.9059274 175 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 609.1454009958121 3.9169166 176 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 380.1555981491749 3.9310918 177 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 59325.5 0 460.0942179014989 3.9996758 178 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 148538.56 0 174.04027048930095 4.0048795 179 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 113886.69 0 164.0712777998749 4.019053 180 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 267.07236610771326 4.021375 181 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 243.06154493732188 4.062987 182 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 68572.71 0 130.08675740473896 4.075868 183 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 438.1249847087367 4.075875 184 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 255.0538490124228 4.1011667 185 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 610.1254175638578 4.1743746 186 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 130.08674229975747 4.2527947 187 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 438.12520688369233 4.313937 188 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 55139.65 0 157.03625348981768 4.3502917 189 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 543.1574238804784 4.3728666 190 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 151.0607771303458 4.3767834 191 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 335.04897978800653 4.3777795 192 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 793415.0 0 167.0207355171104 4.3789964 193 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 421.1347911525265 4.3812447 194 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 438.124941265219 4.395296 195 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 203.082047588306 4.41425 196 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 116766.63 0 282.0836542603278 4.5568447 197 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 76168.22 0 628.1710371025724 4.55798 198 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 144.04477615488602 4.564833 199 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 188.034766919081 4.564833 200 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 524.1255615283701 4.6126666 201 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 367.104630367268 4.635317 202 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 299.0802359566191 4.64185 203 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 779.2247774857598 4.667946 204 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 452.10414488542216 4.6702 205 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 817.1808010064028 4.6849084 206 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 389.1080301124976 4.6864667 207 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 569.1715496717898 4.696128 208 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 367.1047812773522 4.6997166 209 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 432.0990540283325 4.797717 210 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 116.07132090455258 4.821183 211 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 217.08229331545024 4.82535 212 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 129.01873958262698 4.8818 213 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 194.9962343263711 4.8943667 214 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 139350.77 0 114.05555697742427 4.9093885 215 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 210.08781467637203 4.9962997 216 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 125407.52 0 468.1103896237901 5.018025 217 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 432.0989539075161 5.0298166 218 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 159587.67 0 181.0713761240362 5.0403976 219 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 128.95890600082953 5.1037683 220 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 296.8814541278168 5.105021 221 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 380.84315282991287 5.1079917 222 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 181.071272950755 5.1460285 223 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 101.02381629960816 5.1541 224 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 163.06056434534895 5.1541 225 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 105209.42 0 499.0703057881917 5.163438 226 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 150926.98 0 443.1038964799561 5.165685 227 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 155854.23 0 369.1029343285206 5.1687927 228 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 405415.53 0 341.1079301552493 5.1698203 229 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 2137998.0 0 415.1087980866248 5.1698203 230 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 459.13419593571984 5.17145 231 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 460.09400170064487 5.1739388 232 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 67100.44 0 457.1193800823472 5.174943 233 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 332142.06 0 432.0990695220266 5.181081 234 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 166.01720005515804 5.214 235 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 116009.01 0 432.0989800342522 5.3009253 236 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 59718.17 0 415.1086843110904 5.315473 237 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 405.0798284861695 5.3195 238 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 451.0281055733943 5.331683 239 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 56673.824 0 382.0996065037789 5.385739 240 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 192163.47 0 432.09896431613015 5.3880396 241 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 67889.03 0 415.1085318941266 5.389007 242 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 145.01354159582584 5.389917 243 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 50181.098 0 515.1248383471799 5.3930335 244 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 79498.56 0 405.0796264643786 5.393487 245 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 83016.43 0 424.03098378026766 5.456037 246 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 65755.695 0 367.1047873594568 5.4570303 247 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 77689.82 0 412.0307193028139 5.458311 248 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 176.05600561949558 5.4596334 249 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 50534.98 0 101.02411049907369 5.461233 250 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 187.1083709787572 5.461539 251 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 405.1022514486804 5.463267 252 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 129.01861385255603 5.4634666 253 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 147.0294478207034 5.464097 254 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 222107.67 0 305.0172190765626 5.476954 255 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 94792.21 0 111.0194704191449 5.477995 256 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 217.0824040021517 5.5011115 257 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 277.05565971217914 5.5685334 258 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 196.0720240373712 5.58455 259 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 551.1614849862333 5.6060915 260 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 283.10253817634674 5.7462 261 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 156.02736476117448 5.758633 262 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 64462.395 0 248.9600051669244 5.7871222 263 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 118.05035977699346 5.8386555 264 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 301359.62 0 259.0907503601495 5.8413315 265 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 76408.016 0 460.1664679318693 5.8587503 266 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 108641.59 0 265.0472798894507 5.858887 267 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 271.00329828652764 5.8667593 268 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 137334.92 0 124.00674032888124 5.8679786 269 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 466.1233082645099 5.868708 270 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 118.05014916974848 5.9411335 271 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 351.066157153057 5.955333 272 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 186742.61 0 164.03809929373168 5.9858584 273 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 347.07438732956035 6.0060782 274 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 223.04523296205983 6.0157833 275 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 147.02954730833488 6.016025 276 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 196.06061180570688 6.016033 277 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 203.1031963567522 6.0169616 278 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 573.1586869662842 6.0181003 279 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 153.86829758795886 6.0183167 280 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 126641.8 0 160.8416075252179 6.020707 281 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 133507.86 0 162.83880315898347 6.0247035 282 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 70744.09 0 567.1328594557078 6.026056 283 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 62219.758 0 164.83651664061142 6.028525 284 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 341.1080752584267 6.030564 285 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 369.1302497421924 6.031767 286 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 380.0857909089604 6.0329294 287 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 529678.25 0 377.0853877019091 6.0334697 288 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 241078.4 0 195.81007549199188 6.043524 289 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 85.0288472850776 6.044833 290 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 85601.336 0 351.08799735586126 6.0465736 291 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 222132.86 0 349.0902138225881 6.0477557 292 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 302397.78 0 197.8074497387195 6.054078 293 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 155575.14 0 199.80439376830344 6.0627675 294 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 255.8216864715141 6.079925 295 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 257.81861162176403 6.079925 296 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 281.08741257016163 6.1120167 297 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 567.1324168546579 6.1245666 298 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 130766.31 0 377.0854177368436 6.134367 299 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 127007.65 0 127.05073512031956 6.165503 300 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 461647.62 0 145.06137850885108 6.168286 301 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 118934.586 0 313.1124922125512 6.1688643 302 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 188497.2 0 487.1775502317557 6.17469 303 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 341.10795982306786 6.1759744 304 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 85.02886994359115 6.17615 305 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 161.04505752833575 6.177401 306 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 179.05560208522587 6.178625 307 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 404.1037571904742 6.1822033 308 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 683.2247494213096 6.185875 309 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 533.1351576222935 6.1863747 310 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 337.076704021333 6.2700667 311 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 61472.023 0 285.0815198256679 6.274747 312 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 53743.906 0 131.04576483269466 6.279371 313 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 62405.066 0 473.1622238214856 6.294035 314 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 230.1140651678797 6.3078 315 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 85.02880262464393 6.31735 316 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 231.05892086463408 6.3180666 317 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 314.1243286941705 6.3269167 318 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 112926.09 0 446.151054532339 6.3333964 319 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 369.1298211998426 6.3335333 320 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 341.10795574462634 6.3776975 321 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 161.04510410260008 6.3806043 322 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 683.2247429059362 6.3815837 323 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 404.1038655823881 6.382323 324 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 377.0853176704404 6.3833137 325 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 221.06585296417336 6.3838334 326 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 179.05543279200992 6.383917 327 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 102.05554943706493 6.4241996 328 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 62122.31 0 128.0348326127384 6.425373 329 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 852.2605059727284 6.42592 330 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 541542.06 0 146.0453959072269 6.429987 331 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 541.1171038177423 6.431733 332 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 223.04526313136947 6.4318833 333 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 796318.1 0 488.1618629347416 6.4328423 334 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 179.05555411847763 6.4345336 335 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 511.1430137507941 6.439658 336 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 533.1351540532298 6.439658 337 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 467.1167526783238 6.439775 338 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 235470.67 0 377.0853413433481 6.4412994 339 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 431.1042339825117 6.4426746 340 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 719.2019545797923 6.442898 341 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 2966707.0 0 341.1080955681797 6.457898 342 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 9381092.0 0 387.1136618915369 6.457898 343 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 124210.19 0 683.2249539098053 6.4584427 344 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 67897.95 0 390.1218790278056 6.4588284 345 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 230903.39 0 729.2302300017724 6.4595413 346 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 66346.625 0 446.15107530207285 6.461315 347 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 473.16252597984845 6.473417 348 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 447.1374213141028 6.47365 349 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 829086.8 0 404.1039498471663 6.4754333 350 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 179.05550223928677 6.5288167 351 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 377.0852297507381 6.6390166 352 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 214.04814591062063 6.6682 353 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 306.07624420267746 6.683367 354 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 165.03984875364597 6.7459664 355 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 179.05550389368108 6.7470417 356 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 404.1037504816566 6.7487497 357 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 341.10784945223566 6.7492 358 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 377.0850790905292 6.7492 359 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 566.1565289752311 6.7732 360 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 58706.2 0 243.01754702128204 6.8341208 361 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 549.1665078936674 6.8809843 362 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 566.1567208219295 6.8828635 363 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 503.16101714867375 6.8843307 364 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 669.2088742149062 6.8851833 365 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 180052.4 0 337.077016568431 6.8977365 366 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 566.156561804381 6.9667916 367 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 267.0713044932404 7.0074997 368 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 243.0175912669956 7.0202 369 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 54025.66 0 539.1377776447937 7.053332 370 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 1007.3307357121904 7.0553904 371 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 155036.34 0 549.1666558285273 7.055967 372 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 71146.33 0 503.1611043196567 7.056547 373 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 488885.62 0 566.1567883782691 7.056547 374 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 639.1984132458687 7.0575333 375 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 98762.43 0 376.10095579196246 7.0580783 376 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 636.1987491589397 7.0582223 377 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 669.2090822640757 7.059758 378 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 404.1037971182775 7.1490583 379 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 539.1376228314792 7.213836 380 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 341.10772029317184 7.2142 381 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 1007.3304722686656 7.2189083 382 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 89981.79 0 503.1611182989061 7.224993 383 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 403144.47 0 566.1568050838798 7.232582 384 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 181695.83 0 549.1666816899316 7.24799 385 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 243.01747958499703 7.2602334 386 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 353.0719736718401 7.381283 387 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 728.2101972558147 7.3987937 388 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 665.2143682537479 7.400247 389 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 61595.07 0 331.11350343417365 7.46043 390 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 477497.34 0 154.06172597466596 7.46527 391 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 711.219701545415 7.554122 392 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 665.2146918705007 7.555325 393 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 728.210304049564 7.558983 394 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 665.2144782338838 7.6589665 395 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 157740.31 0 154.06169743269285 7.675626 396 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 84545.305 0 131.08221250719097 7.6823187 397 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 58976.08 0 521.3273246910464 7.6840444 398 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 137909.73 0 173.10395175344638 7.6845536 399 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 87240.22 0 154.0616812406937 7.8202085 400 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 123732.49 0 145.0977860469393 7.8258553 401 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 195.0503885530922 7.8264165 402 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 165.0398028737673 7.828483 403 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 80303.07 0 171.00600177800553 7.8455634 404 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 171.00592826118296 7.9485 405 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 154.06166983247007 7.98075 406 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 195.05045159730776 7.9821835 407 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 131.08210329472166 7.9839334 408 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 333.0587423397049 8.207429 409 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 51881.27 0 158.97797888260817 9.841453 410 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 0.0 0 289.9483832120276 9.841567 411 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML 83418.86 0 272.9585951265392 9.841882 1 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 93.03385290447436 1.3726889 2 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 100815.234 0 342.2282842200452 1.3893917 3 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 774.5279624210174 1.4256333 4 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 115235.445 0 414.1218492977562 1.4882333 5 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 760102.94 0 314.1968815601056 1.4933132 6 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 201.0761274655518 1.533225 7 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 217.10738466723123 1.5635065 8 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 93.04496836540216 1.59925 9 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 272.1496694202024 1.62595 10 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 802.5603771415259 1.6640555 11 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 178.05023404461056 1.6760334 12 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 188.94898253557048 1.7026334 13 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 204.12365316668223 1.7026334 14 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 59502.656 0 293.17860481195504 1.708019 15 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 776.5433957777306 1.751811 16 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 774.5288730138618 1.76045 17 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 55085.203 0 309.1736714811531 1.7619792 18 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 353.1994786176988 1.798662 19 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 202.1078766798916 1.80035 20 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 397.22625990072027 1.8235583 21 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 120627.125 0 171.06571659654227 1.827863 22 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 77200.28 0 127.07591121213706 1.8292907 23 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 258.1340381334496 1.8461833 24 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 316.2126434271194 1.8711833 25 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 89.0235512311677 1.8853583 26 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 244.11833914250303 1.8909167 27 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 194.08163019411083 1.92555 28 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 111.0194360568886 1.9417667 29 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 167.03440596891804 1.9441166 30 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 216.1234363986188 1.9783 31 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 75675.49 0 216.94379145047068 2.0031228 32 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 360.23881181531686 2.00415 33 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 99.00803117810024 2.0057502 34 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 291628.0 0 117.01877083220012 2.0078368 35 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 73.0285860830186 2.0082808 36 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 530.2785104120919 2.0152998 37 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 318.02785704601115 2.0189166 38 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 437.21358469950616 2.0189166 39 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 116641.664 0 218.1031052887504 2.024331 40 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 88.03967650136562 2.0265 41 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 144278.39 0 742.5387858229274 2.043875 42 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 391154.94 0 716.522749977004 2.0675 43 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 89.02355611082942 2.0678582 44 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 195.06571730541225 2.0697334 45 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 360.2388161045092 2.0765834 46 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 230.10263502127668 2.0879667 47 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 702.5076365968943 2.0886 48 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 246.99120909765568 2.0927222 49 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 243.13437202348544 2.0970666 50 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 933114.7 0 688.4919999607429 2.1007051 51 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 124216.41 0 660.4605446622179 2.128822 52 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 201.07597957430923 2.177861 53 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 222.0763033454145 2.181225 54 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 153.01862959637714 2.22745 55 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 65924.74 0 403.1241872745805 2.2475874 56 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 151.0395460357251 2.2482166 57 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 57690.36 0 349.06927581920576 2.2494724 58 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 216874.22 0 359.09750936117143 2.2495408 59 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 89.02367397714102 2.2499542 60 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 260.1495206114146 2.2600918 61 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 208.06051489951616 2.2895334 62 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 229.1184198004067 2.297429 63 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 285.0608566468509 2.3280666 64 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 206.04552680170684 2.3593166 65 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 241.0350635576058 2.3800666 66 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 566.3457974096141 2.42135 67 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 145805.62 0 362.2442056064621 2.4242666 68 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 160.03983663046114 2.44055 69 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 161.0449419243981 2.48759 70 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 127003.52 0 336.22903204045184 2.5179167 71 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 151.0606203206697 2.5271666 72 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 459.1136845440237 2.5279167 73 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 73780.91 0 687.5440678824715 2.5327036 74 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 165.0188311080946 2.5618834 75 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 94883.59 0 659.5124284446764 2.5621688 76 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 631.4810305663648 2.60535 77 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 246.134080266216 2.6086943 78 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 229.0710375000464 2.619675 79 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 215.1030108191725 2.6454399 80 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 365.1633183905246 2.64855 81 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 187.0411037236024 2.6628668 82 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 115.02029022867096 2.6806 83 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 463.10876429689966 2.6806 84 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 194.04522665628 2.7020664 85 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 191.07267377279115 2.7035 86 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 189.05612915029147 2.703886 87 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 205.049599795934 2.7047243 88 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 478.29335782667874 2.7097 89 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 245.04647653186083 2.7155416 90 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 217.0328329782935 2.7182 91 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 261.04062605310975 2.7182 92 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 173.02576793846893 2.7202168 93 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 58006.895 0 205.0139200348532 2.7220578 94 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 246.0437565312131 2.7296085 95 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 203.0331934649314 2.7343335 96 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 247.03641790824423 2.7391334 97 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 57126.88 0 478.29358068357527 2.7805529 98 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 450.26276122576456 2.7924333 99 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 71835.81 0 450.2623329483288 2.8485205 100 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 905.5637132131336 2.8517332 101 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 51385.926 0 452.2774502174688 2.8579333 102 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 453.2809182724429 2.8586445 103 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 305.0683101668419 2.86956 104 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 187.04126450765307 2.8698082 105 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 417.1031486293373 2.8980167 106 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 553.1767620418868 2.8980167 107 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 509.1503466515295 2.902425 108 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 513.2188948283712 2.9071333 109 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 463.1090300636153 2.911446 110 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 379.1606913172725 2.9115334 111 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 424.24667016223407 2.9308333 112 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 287.16088355963427 2.942675 113 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 134826.12 0 151.02565353793702 2.960931 114 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 89.023644609207 2.96735 115 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 135.03064799851376 2.9680166 116 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 299.0763710941055 2.999043 117 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 305.0693976881394 3.0389333 118 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 279.03816479439735 3.069239 119 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 495.11752787468345 3.0693083 120 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 66066.51 0 200.0559653389267 3.069594 121 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 342122.2 0 243.0615161475912 3.0696342 122 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 254.0665093188214 3.081675 123 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 441.161109644883 3.1197777 124 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 386.14498918221614 3.1430666 125 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 423.0946742362405 3.1635807 126 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 805.487208410837 3.1671333 127 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 808.5054019042612 3.1671333 128 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 431.1189294135333 3.212346 129 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 494.1149903010408 3.2123778 130 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 863.2466333941438 3.212346 131 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 85057.46 0 201.08767626698824 3.2730463 132 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 181.07116378738937 3.2767832 133 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 379.16044685174256 3.2937167 134 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 425.1659360092301 3.2939835 135 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 415.13719069716257 3.2972667 136 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 442.155774968465 3.2983918 137 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 508.2029935900176 3.3033278 138 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 233.0118147563065 3.30885 139 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 213666.06 0 128.0347547953409 3.3096147 140 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 227.95989955231545 3.3166084 141 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 279.0592001778712 3.3235333 142 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 338.10879131481295 3.3376334 143 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 427.12655414683854 3.3376334 144 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 510.1829772658847 3.34115 145 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 428.11891319497687 3.3887832 146 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 283.0844953165966 3.3931668 147 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 58110.457 0 299.076537947216 3.3932598 148 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 188.0558698558908 3.4127185 149 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 417.1031192578657 3.4173584 150 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 157.0137208641791 3.4216666 151 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 175.02426445945224 3.4216666 152 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 128.03483206810057 3.4975834 153 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 389.107928268466 3.4981833 154 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 181.0711946932322 3.499129 155 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 167.07076991550073 3.5078166 156 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 229.07116449741457 3.5078166 157 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 142146.16 0 224.05584246171915 3.5101979 158 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 194.04517579040763 3.5137749 159 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 323.980758793017 3.5185165 160 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 417.1031244283464 3.5503209 161 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 243.0504114435401 3.63265 162 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 265.08267086505225 3.6427999 163 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 199.06057341944896 3.688 164 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 51342.965 0 356.134749942328 3.703332 165 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 419.1298477158531 3.7040455 166 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 194.08204788413832 3.7056668 167 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 91631.17 0 535.153498026724 3.7377152 168 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 448331.47 0 267.0728731788562 3.7380428 169 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 80625.63 0 460.0941949935822 3.7703612 170 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 54772.17 0 597.3036309634889 3.795014 171 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 595.2880331927124 3.8294923 172 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 569.272570164922 3.881628 173 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 56027.184 0 443.1039304657232 3.904469 174 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 159820.4 0 460.0941466113717 3.9059274 175 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 609.1454009958121 3.9169166 176 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 380.1555981491749 3.9310918 177 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 460.0942179014989 3.9996758 178 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 174.04027048930095 4.0048795 179 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 164.0712777998749 4.019053 180 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 267.07236610771326 4.021375 181 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 243.06154493732188 4.062987 182 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 130.08675740473896 4.075868 183 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 438.1249847087367 4.075875 184 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 255.0538490124228 4.1011667 185 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 610.1254175638578 4.1743746 186 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 130.08674229975747 4.2527947 187 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 438.12520688369233 4.313937 188 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 157.03625348981768 4.3502917 189 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 543.1574238804784 4.3728666 190 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 151.0607771303458 4.3767834 191 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 83213.98 0 335.04897978800653 4.3777795 192 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 673870.5 0 167.0207355171104 4.3789964 193 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 421.1347911525265 4.3812447 194 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 438.124941265219 4.395296 195 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 203.082047588306 4.41425 196 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 282.0836542603278 4.5568447 197 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 628.1710371025724 4.55798 198 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 144.04477615488602 4.564833 199 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 188.034766919081 4.564833 200 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 524.1255615283701 4.6126666 201 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 367.104630367268 4.635317 202 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 299.0802359566191 4.64185 203 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 779.2247774857598 4.667946 204 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 452.10414488542216 4.6702 205 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 817.1808010064028 4.6849084 206 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 389.1080301124976 4.6864667 207 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 569.1715496717898 4.696128 208 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 367.1047812773522 4.6997166 209 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 475457.22 0 432.0990540283325 4.797717 210 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 116.07132090455258 4.821183 211 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 217.08229331545024 4.82535 212 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 129.01873958262698 4.8818 213 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 194.9962343263711 4.8943667 214 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 114.05555697742427 4.9093885 215 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 210.08781467637203 4.9962997 216 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 468.1103896237901 5.018025 217 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 432.0989539075161 5.0298166 218 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 123964.49 0 181.0713761240362 5.0403976 219 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 128.95890600082953 5.1037683 220 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 296.8814541278168 5.105021 221 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 380.84315282991287 5.1079917 222 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 79433.1 0 181.071272950755 5.1460285 223 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 101.02381629960816 5.1541 224 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 163.06056434534895 5.1541 225 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 72672.99 0 499.0703057881917 5.163438 226 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 443.1038964799561 5.165685 227 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 107186.47 0 369.1029343285206 5.1687927 228 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 275362.53 0 341.1079301552493 5.1698203 229 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 1362203.2 0 415.1087980866248 5.1698203 230 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 459.13419593571984 5.17145 231 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 460.09400170064487 5.1739388 232 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 457.1193800823472 5.174943 233 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 706048.8 0 432.0990695220266 5.181081 234 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 166.01720005515804 5.214 235 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 93268.945 0 432.0989800342522 5.3009253 236 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 415.1086843110904 5.315473 237 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 405.0798284861695 5.3195 238 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 451.0281055733943 5.331683 239 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 56391.21 0 382.0996065037789 5.385739 240 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 134786.58 0 432.09896431613015 5.3880396 241 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 415.1085318941266 5.389007 242 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 145.01354159582584 5.389917 243 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 515.1248383471799 5.3930335 244 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 405.0796264643786 5.393487 245 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 120839.06 0 424.03098378026766 5.456037 246 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 89704.68 0 367.1047873594568 5.4570303 247 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 412.0307193028139 5.458311 248 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 176.05600561949558 5.4596334 249 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 101.02411049907369 5.461233 250 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 62217.645 0 187.1083709787572 5.461539 251 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 405.1022514486804 5.463267 252 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 129.01861385255603 5.4634666 253 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 147.0294478207034 5.464097 254 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 68836.84 0 305.0172190765626 5.476954 255 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 111.0194704191449 5.477995 256 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 217.0824040021517 5.5011115 257 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 277.05565971217914 5.5685334 258 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 196.0720240373712 5.58455 259 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 551.1614849862333 5.6060915 260 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 283.10253817634674 5.7462 261 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 156.02736476117448 5.758633 262 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 248.9600051669244 5.7871222 263 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 118.05035977699346 5.8386555 264 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 259.0907503601495 5.8413315 265 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 460.1664679318693 5.8587503 266 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 60123.87 0 265.0472798894507 5.858887 267 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 271.00329828652764 5.8667593 268 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 184426.56 0 124.00674032888124 5.8679786 269 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 466.1233082645099 5.868708 270 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 118.05014916974848 5.9411335 271 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 351.066157153057 5.955333 272 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 121148.57 0 164.03809929373168 5.9858584 273 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 347.07438732956035 6.0060782 274 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 223.04523296205983 6.0157833 275 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 147.02954730833488 6.016025 276 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 196.06061180570688 6.016033 277 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 203.1031963567522 6.0169616 278 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 573.1586869662842 6.0181003 279 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 153.86829758795886 6.0183167 280 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 98034.305 0 160.8416075252179 6.020707 281 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 101882.17 0 162.83880315898347 6.0247035 282 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 58670.53 0 567.1328594557078 6.026056 283 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 164.83651664061142 6.028525 284 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 341.1080752584267 6.030564 285 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 369.1302497421924 6.031767 286 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 380.0857909089604 6.0329294 287 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 555121.06 0 377.0853877019091 6.0334697 288 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 245638.69 0 195.81007549199188 6.043524 289 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 85.0288472850776 6.044833 290 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 351.08799735586126 6.0465736 291 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 349.0902138225881 6.0477557 292 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 296753.28 0 197.8074497387195 6.054078 293 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 151783.0 0 199.80439376830344 6.0627675 294 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 255.8216864715141 6.079925 295 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 257.81861162176403 6.079925 296 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 281.08741257016163 6.1120167 297 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 567.1324168546579 6.1245666 298 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 171431.03 0 377.0854177368436 6.134367 299 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 127.05073512031956 6.165503 300 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 127281.57 0 145.06137850885108 6.168286 301 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 54260.086 0 313.1124922125512 6.1688643 302 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 707252.06 0 487.1775502317557 6.17469 303 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 98172.21 0 341.10795982306786 6.1759744 304 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 85.02886994359115 6.17615 305 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 73782.164 0 161.04505752833575 6.177401 306 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 179.05560208522587 6.178625 307 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 279581.12 0 404.1037571904742 6.1822033 308 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 62005.344 0 683.2247494213096 6.185875 309 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 533.1351576222935 6.1863747 310 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 337.076704021333 6.2700667 311 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 285.0815198256679 6.274747 312 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 131.04576483269466 6.279371 313 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 473.1622238214856 6.294035 314 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 230.1140651678797 6.3078 315 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 85.02880262464393 6.31735 316 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 231.05892086463408 6.3180666 317 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 314.1243286941705 6.3269167 318 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 144944.89 0 446.151054532339 6.3333964 319 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 369.1298211998426 6.3335333 320 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 105026.47 0 341.10795574462634 6.3776975 321 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 101931.484 0 161.04510410260008 6.3806043 322 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 216559.97 0 683.2247429059362 6.3815837 323 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 390504.47 0 404.1038655823881 6.382323 324 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 377.0853176704404 6.3833137 325 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 221.06585296417336 6.3838334 326 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 179.05543279200992 6.383917 327 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 102.05554943706493 6.4241996 328 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 128.0348326127384 6.425373 329 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 63591.074 0 852.2605059727284 6.42592 330 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 383412.84 0 146.0453959072269 6.429987 331 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 541.1171038177423 6.431733 332 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 223.04526313136947 6.4318833 333 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 530374.6 0 488.1618629347416 6.4328423 334 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 179.05555411847763 6.4345336 335 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 511.1430137507941 6.439658 336 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 533.1351540532298 6.439658 337 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 467.1167526783238 6.439775 338 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 191856.97 0 377.0853413433481 6.4412994 339 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 431.1042339825117 6.4426746 340 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 719.2019545797923 6.442898 341 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 938324.94 0 341.1080955681797 6.457898 342 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 3050034.5 0 387.1136618915369 6.457898 343 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 55568.535 0 683.2249539098053 6.4584427 344 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 390.1218790278056 6.4588284 345 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 87828.35 0 729.2302300017724 6.4595413 346 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 446.15107530207285 6.461315 347 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 473.16252597984845 6.473417 348 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 447.1374213141028 6.47365 349 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 867544.4 0 404.1039498471663 6.4754333 350 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 179.05550223928677 6.5288167 351 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 377.0852297507381 6.6390166 352 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 56231.883 0 214.04814591062063 6.6682 353 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 306.07624420267746 6.683367 354 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 165.03984875364597 6.7459664 355 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 179.05550389368108 6.7470417 356 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 404.1037504816566 6.7487497 357 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 341.10784945223566 6.7492 358 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 377.0850790905292 6.7492 359 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 566.1565289752311 6.7732 360 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 243.01754702128204 6.8341208 361 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 54347.086 0 549.1665078936674 6.8809843 362 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 167562.52 0 566.1567208219295 6.8828635 363 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 503.16101714867375 6.8843307 364 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 669.2088742149062 6.8851833 365 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 96951.414 0 337.077016568431 6.8977365 366 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 566.156561804381 6.9667916 367 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 267.0713044932404 7.0074997 368 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 243.0175912669956 7.0202 369 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 53218.062 0 539.1377776447937 7.053332 370 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 1007.3307357121904 7.0553904 371 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 145562.3 0 549.1666558285273 7.055967 372 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 99192.6 0 503.1611043196567 7.056547 373 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 506118.28 0 566.1567883782691 7.056547 374 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 639.1984132458687 7.0575333 375 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 376.10095579196246 7.0580783 376 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 636.1987491589397 7.0582223 377 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 669.2090822640757 7.059758 378 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 404.1037971182775 7.1490583 379 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 539.1376228314792 7.213836 380 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 341.10772029317184 7.2142 381 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 1007.3304722686656 7.2189083 382 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 70141.54 0 503.1611182989061 7.224993 383 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 233293.8 0 566.1568050838798 7.232582 384 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 51560.26 0 549.1666816899316 7.24799 385 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 54965.33 0 243.01747958499703 7.2602334 386 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 353.0719736718401 7.381283 387 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 728.2101972558147 7.3987937 388 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 665.2143682537479 7.400247 389 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 331.11350343417365 7.46043 390 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 186902.97 0 154.06172597466596 7.46527 391 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 711.219701545415 7.554122 392 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 665.2146918705007 7.555325 393 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 728.210304049564 7.558983 394 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 665.2144782338838 7.6589665 395 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 67374.6 0 154.06169743269285 7.675626 396 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 131.08221250719097 7.6823187 397 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 521.3273246910464 7.6840444 398 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 56184.004 0 173.10395175344638 7.6845536 399 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 154.0616812406937 7.8202085 400 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 145.0977860469393 7.8258553 401 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 195.0503885530922 7.8264165 402 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 165.0398028737673 7.828483 403 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 171.00600177800553 7.8455634 404 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 171.00592826118296 7.9485 405 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 154.06166983247007 7.98075 406 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 195.05045159730776 7.9821835 407 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 131.08210329472166 7.9839334 408 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 156047.5 0 333.0587423397049 8.207429 409 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 158.97797888260817 9.841453 410 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 289.9483832120276 9.841567 411 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML 0.0 0 272.9585951265392 9.841882 1 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 93.03385290447436 1.3726889 2 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 342.2282842200452 1.3893917 3 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 774.5279624210174 1.4256333 4 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 414.1218492977562 1.4882333 5 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 314.1968815601056 1.4933132 6 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 201.0761274655518 1.533225 7 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 217.10738466723123 1.5635065 8 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 93.04496836540216 1.59925 9 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 272.1496694202024 1.62595 10 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 802.5603771415259 1.6640555 11 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 178.05023404461056 1.6760334 12 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 188.94898253557048 1.7026334 13 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 204.12365316668223 1.7026334 14 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 85658.3 0 293.17860481195504 1.708019 15 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 776.5433957777306 1.751811 16 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 774.5288730138618 1.76045 17 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 118724.24 0 309.1736714811531 1.7619792 18 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 77676.055 0 353.1994786176988 1.798662 19 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 202.1078766798916 1.80035 20 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 397.22625990072027 1.8235583 21 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 50290.957 0 171.06571659654227 1.827863 22 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 127.07591121213706 1.8292907 23 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 258.1340381334496 1.8461833 24 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 316.2126434271194 1.8711833 25 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 89.0235512311677 1.8853583 26 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 244.11833914250303 1.8909167 27 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 194.08163019411083 1.92555 28 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 111.0194360568886 1.9417667 29 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 167.03440596891804 1.9441166 30 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 216.1234363986188 1.9783 31 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 72541.36 0 216.94379145047068 2.0031228 32 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 360.23881181531686 2.00415 33 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 99.00803117810024 2.0057502 34 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 295860.38 0 117.01877083220012 2.0078368 35 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 70671.67 0 73.0285860830186 2.0082808 36 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 530.2785104120919 2.0152998 37 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 318.02785704601115 2.0189166 38 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 437.21358469950616 2.0189166 39 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 115954.734 0 218.1031052887504 2.024331 40 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 88.03967650136562 2.0265 41 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 202179.6 0 742.5387858229274 2.043875 42 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 423736.88 0 716.522749977004 2.0675 43 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 89.02355611082942 2.0678582 44 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 195.06571730541225 2.0697334 45 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 360.2388161045092 2.0765834 46 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 230.10263502127668 2.0879667 47 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 702.5076365968943 2.0886 48 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 246.99120909765568 2.0927222 49 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 243.13437202348544 2.0970666 50 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 1060675.5 0 688.4919999607429 2.1007051 51 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 134448.94 0 660.4605446622179 2.128822 52 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 201.07597957430923 2.177861 53 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 222.0763033454145 2.181225 54 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 153.01862959637714 2.22745 55 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 403.1241872745805 2.2475874 56 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 151.0395460357251 2.2482166 57 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 349.06927581920576 2.2494724 58 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 199139.36 0 359.09750936117143 2.2495408 59 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 89.02367397714102 2.2499542 60 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 260.1495206114146 2.2600918 61 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 208.06051489951616 2.2895334 62 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 229.1184198004067 2.297429 63 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 285.0608566468509 2.3280666 64 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 206.04552680170684 2.3593166 65 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 241.0350635576058 2.3800666 66 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 566.3457974096141 2.42135 67 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 362.2442056064621 2.4242666 68 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 160.03983663046114 2.44055 69 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 161.0449419243981 2.48759 70 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 336.22903204045184 2.5179167 71 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 151.0606203206697 2.5271666 72 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 459.1136845440237 2.5279167 73 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 95269.64 0 687.5440678824715 2.5327036 74 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 165.0188311080946 2.5618834 75 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 127579.57 0 659.5124284446764 2.5621688 76 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 631.4810305663648 2.60535 77 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 246.134080266216 2.6086943 78 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 229.0710375000464 2.619675 79 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 215.1030108191725 2.6454399 80 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 365.1633183905246 2.64855 81 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 187.0411037236024 2.6628668 82 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 115.02029022867096 2.6806 83 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 463.10876429689966 2.6806 84 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 194.04522665628 2.7020664 85 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 191.07267377279115 2.7035 86 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 189.05612915029147 2.703886 87 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 70785.25 0 205.049599795934 2.7047243 88 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 478.29335782667874 2.7097 89 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 245.04647653186083 2.7155416 90 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 217.0328329782935 2.7182 91 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 261.04062605310975 2.7182 92 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 173.02576793846893 2.7202168 93 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 58951.832 0 205.0139200348532 2.7220578 94 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 246.0437565312131 2.7296085 95 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 203.0331934649314 2.7343335 96 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 247.03641790824423 2.7391334 97 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 478.29358068357527 2.7805529 98 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 450.26276122576456 2.7924333 99 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 450.2623329483288 2.8485205 100 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 905.5637132131336 2.8517332 101 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 92574.66 0 452.2774502174688 2.8579333 102 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 453.2809182724429 2.8586445 103 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 305.0683101668419 2.86956 104 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 187.04126450765307 2.8698082 105 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 417.1031486293373 2.8980167 106 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 553.1767620418868 2.8980167 107 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 509.1503466515295 2.902425 108 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 513.2188948283712 2.9071333 109 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 463.1090300636153 2.911446 110 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 379.1606913172725 2.9115334 111 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 424.24667016223407 2.9308333 112 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 287.16088355963427 2.942675 113 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 301308.78 0 151.02565353793702 2.960931 114 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 89.023644609207 2.96735 115 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 135.03064799851376 2.9680166 116 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 299.0763710941055 2.999043 117 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 305.0693976881394 3.0389333 118 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 279.03816479439735 3.069239 119 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 495.11752787468345 3.0693083 120 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 200.0559653389267 3.069594 121 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 325948.97 0 243.0615161475912 3.0696342 122 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 254.0665093188214 3.081675 123 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 441.161109644883 3.1197777 124 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 386.14498918221614 3.1430666 125 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 423.0946742362405 3.1635807 126 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 805.487208410837 3.1671333 127 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 808.5054019042612 3.1671333 128 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 431.1189294135333 3.212346 129 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 494.1149903010408 3.2123778 130 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 863.2466333941438 3.212346 131 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 88917.8 0 201.08767626698824 3.2730463 132 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 181.07116378738937 3.2767832 133 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 379.16044685174256 3.2937167 134 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 425.1659360092301 3.2939835 135 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 415.13719069716257 3.2972667 136 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 442.155774968465 3.2983918 137 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 508.2029935900176 3.3033278 138 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 233.0118147563065 3.30885 139 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 119116.555 0 128.0347547953409 3.3096147 140 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 227.95989955231545 3.3166084 141 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 279.0592001778712 3.3235333 142 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 338.10879131481295 3.3376334 143 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 427.12655414683854 3.3376334 144 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 510.1829772658847 3.34115 145 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 428.11891319497687 3.3887832 146 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 283.0844953165966 3.3931668 147 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 60876.914 0 299.076537947216 3.3932598 148 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 188.0558698558908 3.4127185 149 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 417.1031192578657 3.4173584 150 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 157.0137208641791 3.4216666 151 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 175.02426445945224 3.4216666 152 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 128.03483206810057 3.4975834 153 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 389.107928268466 3.4981833 154 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 181.0711946932322 3.499129 155 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 167.07076991550073 3.5078166 156 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 229.07116449741457 3.5078166 157 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 121557.99 0 224.05584246171915 3.5101979 158 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 194.04517579040763 3.5137749 159 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 323.980758793017 3.5185165 160 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 417.1031244283464 3.5503209 161 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 243.0504114435401 3.63265 162 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 265.08267086505225 3.6427999 163 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 199.06057341944896 3.688 164 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 87510.6 0 356.134749942328 3.703332 165 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 76869.66 0 419.1298477158531 3.7040455 166 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 194.08204788413832 3.7056668 167 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 535.153498026724 3.7377152 168 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 141048.3 0 267.0728731788562 3.7380428 169 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 104059.875 0 460.0941949935822 3.7703612 170 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 597.3036309634889 3.795014 171 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 595.2880331927124 3.8294923 172 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 569.272570164922 3.881628 173 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 97421.75 0 443.1039304657232 3.904469 174 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 256075.94 0 460.0941466113717 3.9059274 175 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 609.1454009958121 3.9169166 176 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 380.1555981491749 3.9310918 177 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 73700.33 0 460.0942179014989 3.9996758 178 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 174.04027048930095 4.0048795 179 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 164.0712777998749 4.019053 180 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 267.07236610771326 4.021375 181 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 243.06154493732188 4.062987 182 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 130.08675740473896 4.075868 183 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 438.1249847087367 4.075875 184 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 255.0538490124228 4.1011667 185 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 610.1254175638578 4.1743746 186 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 130.08674229975747 4.2527947 187 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 438.12520688369233 4.313937 188 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 157.03625348981768 4.3502917 189 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 543.1574238804784 4.3728666 190 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 151.0607771303458 4.3767834 191 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 82388.34 0 335.04897978800653 4.3777795 192 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 660122.4 0 167.0207355171104 4.3789964 193 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 421.1347911525265 4.3812447 194 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 438.124941265219 4.395296 195 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 203.082047588306 4.41425 196 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 282.0836542603278 4.5568447 197 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 628.1710371025724 4.55798 198 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 144.04477615488602 4.564833 199 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 188.034766919081 4.564833 200 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 524.1255615283701 4.6126666 201 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 367.104630367268 4.635317 202 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 299.0802359566191 4.64185 203 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 779.2247774857598 4.667946 204 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 452.10414488542216 4.6702 205 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 817.1808010064028 4.6849084 206 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 389.1080301124976 4.6864667 207 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 569.1715496717898 4.696128 208 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 367.1047812773522 4.6997166 209 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 543455.56 0 432.0990540283325 4.797717 210 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 116.07132090455258 4.821183 211 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 217.08229331545024 4.82535 212 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 129.01873958262698 4.8818 213 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 194.9962343263711 4.8943667 214 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 52166.793 0 114.05555697742427 4.9093885 215 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 210.08781467637203 4.9962997 216 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 468.1103896237901 5.018025 217 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 432.0989539075161 5.0298166 218 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 248768.89 0 181.0713761240362 5.0403976 219 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 128.95890600082953 5.1037683 220 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 296.8814541278168 5.105021 221 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 380.84315282991287 5.1079917 222 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 181.071272950755 5.1460285 223 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 101.02381629960816 5.1541 224 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 163.06056434534895 5.1541 225 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 86051.27 0 499.0703057881917 5.163438 226 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 93235.766 0 443.1038964799561 5.165685 227 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 153124.89 0 369.1029343285206 5.1687927 228 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 405950.88 0 341.1079301552493 5.1698203 229 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 2057110.5 0 415.1087980866248 5.1698203 230 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 459.13419593571984 5.17145 231 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 65693.5 0 460.09400170064487 5.1739388 232 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 100453.53 0 457.1193800823472 5.174943 233 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 1072066.9 0 432.0990695220266 5.181081 234 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 166.01720005515804 5.214 235 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 164552.8 0 432.0989800342522 5.3009253 236 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 53654.438 0 415.1086843110904 5.315473 237 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 405.0798284861695 5.3195 238 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 451.0281055733943 5.331683 239 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 61703.32 0 382.0996065037789 5.385739 240 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 223061.33 0 432.09896431613015 5.3880396 241 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 78364.97 0 415.1085318941266 5.389007 242 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 145.01354159582584 5.389917 243 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 515.1248383471799 5.3930335 244 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 77717.164 0 405.0796264643786 5.393487 245 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 109192.25 0 424.03098378026766 5.456037 246 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 85200.27 0 367.1047873594568 5.4570303 247 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 412.0307193028139 5.458311 248 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 176.05600561949558 5.4596334 249 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 101.02411049907369 5.461233 250 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 187.1083709787572 5.461539 251 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 405.1022514486804 5.463267 252 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 129.01861385255603 5.4634666 253 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 147.0294478207034 5.464097 254 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 305.0172190765626 5.476954 255 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 111.0194704191449 5.477995 256 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 217.0824040021517 5.5011115 257 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 277.05565971217914 5.5685334 258 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 196.0720240373712 5.58455 259 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 551.1614849862333 5.6060915 260 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 283.10253817634674 5.7462 261 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 156.02736476117448 5.758633 262 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 248.9600051669244 5.7871222 263 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 118.05035977699346 5.8386555 264 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 259.0907503601495 5.8413315 265 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 460.1664679318693 5.8587503 266 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 265.0472798894507 5.858887 267 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 117042.87 0 271.00329828652764 5.8667593 268 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 228608.38 0 124.00674032888124 5.8679786 269 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 466.1233082645099 5.868708 270 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 118.05014916974848 5.9411335 271 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 351.066157153057 5.955333 272 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 131051.2 0 164.03809929373168 5.9858584 273 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 347.07438732956035 6.0060782 274 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 223.04523296205983 6.0157833 275 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 147.02954730833488 6.016025 276 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 196.06061180570688 6.016033 277 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 203.1031963567522 6.0169616 278 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 573.1586869662842 6.0181003 279 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 153.86829758795886 6.0183167 280 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 101693.18 0 160.8416075252179 6.020707 281 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 109424.29 0 162.83880315898347 6.0247035 282 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 184726.17 0 567.1328594557078 6.026056 283 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 57169.83 0 164.83651664061142 6.028525 284 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 341.1080752584267 6.030564 285 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 369.1302497421924 6.031767 286 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 380.0857909089604 6.0329294 287 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 473848.84 0 377.0853877019091 6.0334697 288 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 227967.16 0 195.81007549199188 6.043524 289 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 85.0288472850776 6.044833 290 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 351.08799735586126 6.0465736 291 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 349.0902138225881 6.0477557 292 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 280987.53 0 197.8074497387195 6.054078 293 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 199.80439376830344 6.0627675 294 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 255.8216864715141 6.079925 295 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 257.81861162176403 6.079925 296 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 281.08741257016163 6.1120167 297 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 567.1324168546579 6.1245666 298 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 211196.6 0 377.0854177368436 6.134367 299 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 127.05073512031956 6.165503 300 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 155052.64 0 145.06137850885108 6.168286 301 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 62627.895 0 313.1124922125512 6.1688643 302 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 810450.1 0 487.1775502317557 6.17469 303 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 109522.58 0 341.10795982306786 6.1759744 304 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 85.02886994359115 6.17615 305 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 81259.805 0 161.04505752833575 6.177401 306 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 179.05560208522587 6.178625 307 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 292361.4 0 404.1037571904742 6.1822033 308 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 64089.21 0 683.2247494213096 6.185875 309 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 533.1351576222935 6.1863747 310 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 337.076704021333 6.2700667 311 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 285.0815198256679 6.274747 312 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 131.04576483269466 6.279371 313 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 60073.15 0 473.1622238214856 6.294035 314 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 230.1140651678797 6.3078 315 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 85.02880262464393 6.31735 316 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 231.05892086463408 6.3180666 317 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 314.1243286941705 6.3269167 318 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 110882.91 0 446.151054532339 6.3333964 319 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 369.1298211998426 6.3335333 320 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 120493.1 0 341.10795574462634 6.3776975 321 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 116149.72 0 161.04510410260008 6.3806043 322 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 253811.38 0 683.2247429059362 6.3815837 323 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 404.1038655823881 6.382323 324 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 377.0853176704404 6.3833137 325 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 221.06585296417336 6.3838334 326 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 179.05543279200992 6.383917 327 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 102.05554943706493 6.4241996 328 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 128.0348326127384 6.425373 329 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 852.2605059727284 6.42592 330 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 384082.9 0 146.0453959072269 6.429987 331 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 541.1171038177423 6.431733 332 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 223.04526313136947 6.4318833 333 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 573758.44 0 488.1618629347416 6.4328423 334 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 179.05555411847763 6.4345336 335 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 511.1430137507941 6.439658 336 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 533.1351540532298 6.439658 337 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 467.1167526783238 6.439775 338 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 219537.2 0 377.0853413433481 6.4412994 339 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 431.1042339825117 6.4426746 340 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 719.2019545797923 6.442898 341 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 1806035.2 0 341.1080955681797 6.457898 342 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 5838558.5 0 387.1136618915369 6.457898 343 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 86450.33 0 683.2249539098053 6.4584427 344 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 390.1218790278056 6.4588284 345 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 176459.67 0 729.2302300017724 6.4595413 346 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 446.15107530207285 6.461315 347 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 473.16252597984845 6.473417 348 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 447.1374213141028 6.47365 349 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 827228.75 0 404.1039498471663 6.4754333 350 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 179.05550223928677 6.5288167 351 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 377.0852297507381 6.6390166 352 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 214.04814591062063 6.6682 353 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 306.07624420267746 6.683367 354 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 165.03984875364597 6.7459664 355 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 179.05550389368108 6.7470417 356 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 404.1037504816566 6.7487497 357 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 341.10784945223566 6.7492 358 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 377.0850790905292 6.7492 359 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 566.1565289752311 6.7732 360 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 243.01754702128204 6.8341208 361 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 126511.72 0 549.1665078936674 6.8809843 362 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 367039.72 0 566.1567208219295 6.8828635 363 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 77856.32 0 503.16101714867375 6.8843307 364 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 669.2088742149062 6.8851833 365 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 105291.84 0 337.077016568431 6.8977365 366 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 566.156561804381 6.9667916 367 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 267.0713044932404 7.0074997 368 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 243.0175912669956 7.0202 369 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 539.1377776447937 7.053332 370 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 101793.59 0 1007.3307357121904 7.0553904 371 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 251934.08 0 549.1666558285273 7.055967 372 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 161530.72 0 503.1611043196567 7.056547 373 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 682257.94 0 566.1567883782691 7.056547 374 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 639.1984132458687 7.0575333 375 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 76992.22 0 376.10095579196246 7.0580783 376 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 636.1987491589397 7.0582223 377 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 669.2090822640757 7.059758 378 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 404.1037971182775 7.1490583 379 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 539.1376228314792 7.213836 380 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 341.10772029317184 7.2142 381 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 1007.3304722686656 7.2189083 382 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 110819.8 0 503.1611182989061 7.224993 383 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 353866.56 0 566.1568050838798 7.232582 384 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 109695.195 0 549.1666816899316 7.24799 385 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 54246.57 0 243.01747958499703 7.2602334 386 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 353.0719736718401 7.381283 387 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 90208.41 0 728.2101972558147 7.3987937 388 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 79794.72 0 665.2143682537479 7.400247 389 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 331.11350343417365 7.46043 390 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 189061.19 0 154.06172597466596 7.46527 391 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 78129.84 0 711.219701545415 7.554122 392 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 50816.176 0 665.2146918705007 7.555325 393 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 91700.016 0 728.210304049564 7.558983 394 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 665.2144782338838 7.6589665 395 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 63733.05 0 154.06169743269285 7.675626 396 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 131.08221250719097 7.6823187 397 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 521.3273246910464 7.6840444 398 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 173.10395175344638 7.6845536 399 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 154.0616812406937 7.8202085 400 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 145.0977860469393 7.8258553 401 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 195.0503885530922 7.8264165 402 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 165.0398028737673 7.828483 403 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 171.00600177800553 7.8455634 404 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 171.00592826118296 7.9485 405 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 154.06166983247007 7.98075 406 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 195.05045159730776 7.9821835 407 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 131.08210329472166 7.9839334 408 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 116367.92 0 333.0587423397049 8.207429 409 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 158.97797888260817 9.841453 410 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 289.9483832120276 9.841567 411 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML 0.0 0 272.9585951265392 9.841882 1 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 93.03385290447436 1.3726889 2 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 342.2282842200452 1.3893917 3 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 774.5279624210174 1.4256333 4 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 414.1218492977562 1.4882333 5 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 314.1968815601056 1.4933132 6 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 201.0761274655518 1.533225 7 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 217.10738466723123 1.5635065 8 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 93.04496836540216 1.59925 9 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 272.1496694202024 1.62595 10 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 802.5603771415259 1.6640555 11 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 178.05023404461056 1.6760334 12 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 188.94898253557048 1.7026334 13 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 204.12365316668223 1.7026334 14 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 83536.625 0 293.17860481195504 1.708019 15 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 776.5433957777306 1.751811 16 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 774.5288730138618 1.76045 17 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 107389.414 0 309.1736714811531 1.7619792 18 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 71090.805 0 353.1994786176988 1.798662 19 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 202.1078766798916 1.80035 20 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 397.22625990072027 1.8235583 21 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 171.06571659654227 1.827863 22 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 127.07591121213706 1.8292907 23 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 258.1340381334496 1.8461833 24 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 65808.945 0 316.2126434271194 1.8711833 25 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 89.0235512311677 1.8853583 26 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 244.11833914250303 1.8909167 27 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 194.08163019411083 1.92555 28 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 111.0194360568886 1.9417667 29 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 167.03440596891804 1.9441166 30 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 216.1234363986188 1.9783 31 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 88239.87 0 216.94379145047068 2.0031228 32 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 88590.47 0 360.23881181531686 2.00415 33 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 99.00803117810024 2.0057502 34 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 529712.4 0 117.01877083220012 2.0078368 35 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 119727.02 0 73.0285860830186 2.0082808 36 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 530.2785104120919 2.0152998 37 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 318.02785704601115 2.0189166 38 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 437.21358469950616 2.0189166 39 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 133615.75 0 218.1031052887504 2.024331 40 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 88.03967650136562 2.0265 41 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 214317.48 0 742.5387858229274 2.043875 42 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 645707.75 0 716.522749977004 2.0675 43 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 89.02355611082942 2.0678582 44 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 195.06571730541225 2.0697334 45 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 203576.42 0 360.2388161045092 2.0765834 46 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 230.10263502127668 2.0879667 47 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 702.5076365968943 2.0886 48 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 246.99120909765568 2.0927222 49 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 243.13437202348544 2.0970666 50 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 1212915.5 0 688.4919999607429 2.1007051 51 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 171454.84 0 660.4605446622179 2.128822 52 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 201.07597957430923 2.177861 53 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 222.0763033454145 2.181225 54 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 153.01862959637714 2.22745 55 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 403.1241872745805 2.2475874 56 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 151.0395460357251 2.2482166 57 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 349.06927581920576 2.2494724 58 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 167264.92 0 359.09750936117143 2.2495408 59 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 89.02367397714102 2.2499542 60 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 260.1495206114146 2.2600918 61 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 208.06051489951616 2.2895334 62 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 229.1184198004067 2.297429 63 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 285.0608566468509 2.3280666 64 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 52164.992 0 206.04552680170684 2.3593166 65 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 241.0350635576058 2.3800666 66 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 566.3457974096141 2.42135 67 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 362.2442056064621 2.4242666 68 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 160.03983663046114 2.44055 69 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 161.0449419243981 2.48759 70 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 336.22903204045184 2.5179167 71 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 151.0606203206697 2.5271666 72 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 459.1136845440237 2.5279167 73 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 74928.06 0 687.5440678824715 2.5327036 74 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 165.0188311080946 2.5618834 75 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 112295.766 0 659.5124284446764 2.5621688 76 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 631.4810305663648 2.60535 77 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 246.134080266216 2.6086943 78 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 229.0710375000464 2.619675 79 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 215.1030108191725 2.6454399 80 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 365.1633183905246 2.64855 81 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 187.0411037236024 2.6628668 82 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 115.02029022867096 2.6806 83 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 463.10876429689966 2.6806 84 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 194.04522665628 2.7020664 85 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 191.07267377279115 2.7035 86 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 189.05612915029147 2.703886 87 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 65734.08 0 205.049599795934 2.7047243 88 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 478.29335782667874 2.7097 89 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 245.04647653186083 2.7155416 90 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 217.0328329782935 2.7182 91 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 261.04062605310975 2.7182 92 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 173.02576793846893 2.7202168 93 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 59693.535 0 205.0139200348532 2.7220578 94 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 246.0437565312131 2.7296085 95 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 203.0331934649314 2.7343335 96 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 247.03641790824423 2.7391334 97 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 71886.2 0 478.29358068357527 2.7805529 98 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 450.26276122576456 2.7924333 99 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 78040.66 0 450.2623329483288 2.8485205 100 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 905.5637132131336 2.8517332 101 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 70209.875 0 452.2774502174688 2.8579333 102 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 453.2809182724429 2.8586445 103 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 305.0683101668419 2.86956 104 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 187.04126450765307 2.8698082 105 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 417.1031486293373 2.8980167 106 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 553.1767620418868 2.8980167 107 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 509.1503466515295 2.902425 108 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 513.2188948283712 2.9071333 109 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 463.1090300636153 2.911446 110 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 379.1606913172725 2.9115334 111 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 424.24667016223407 2.9308333 112 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 287.16088355963427 2.942675 113 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 331152.5 0 151.02565353793702 2.960931 114 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 89.023644609207 2.96735 115 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 135.03064799851376 2.9680166 116 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 299.0763710941055 2.999043 117 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 305.0693976881394 3.0389333 118 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 279.03816479439735 3.069239 119 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 90394.875 0 495.11752787468345 3.0693083 120 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 73514.55 0 200.0559653389267 3.069594 121 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 383345.06 0 243.0615161475912 3.0696342 122 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 254.0665093188214 3.081675 123 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 441.161109644883 3.1197777 124 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 386.14498918221614 3.1430666 125 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 150847.31 0 423.0946742362405 3.1635807 126 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 805.487208410837 3.1671333 127 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 808.5054019042612 3.1671333 128 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 431.1189294135333 3.212346 129 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 494.1149903010408 3.2123778 130 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 863.2466333941438 3.212346 131 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 98586.54 0 201.08767626698824 3.2730463 132 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 181.07116378738937 3.2767832 133 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 379.16044685174256 3.2937167 134 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 425.1659360092301 3.2939835 135 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 415.13719069716257 3.2972667 136 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 442.155774968465 3.2983918 137 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 508.2029935900176 3.3033278 138 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 233.0118147563065 3.30885 139 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 558199.4 0 128.0347547953409 3.3096147 140 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 68790.63 0 227.95989955231545 3.3166084 141 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 56409.97 0 279.0592001778712 3.3235333 142 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 338.10879131481295 3.3376334 143 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 427.12655414683854 3.3376334 144 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 510.1829772658847 3.34115 145 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 136388.25 0 428.11891319497687 3.3887832 146 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 283.0844953165966 3.3931668 147 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 77661.65 0 299.076537947216 3.3932598 148 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 82332.65 0 188.0558698558908 3.4127185 149 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 417.1031192578657 3.4173584 150 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 157.0137208641791 3.4216666 151 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 175.02426445945224 3.4216666 152 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 77429.38 0 128.03483206810057 3.4975834 153 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 389.107928268466 3.4981833 154 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 181.0711946932322 3.499129 155 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 167.07076991550073 3.5078166 156 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 229.07116449741457 3.5078166 157 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 70629.97 0 224.05584246171915 3.5101979 158 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 194.04517579040763 3.5137749 159 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 323.980758793017 3.5185165 160 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 417.1031244283464 3.5503209 161 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 243.0504114435401 3.63265 162 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 265.08267086505225 3.6427999 163 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 199.06057341944896 3.688 164 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 187651.61 0 356.134749942328 3.703332 165 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 161029.25 0 419.1298477158531 3.7040455 166 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 194.08204788413832 3.7056668 167 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 126882.94 0 535.153498026724 3.7377152 168 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 580829.6 0 267.0728731788562 3.7380428 169 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 83360.22 0 460.0941949935822 3.7703612 170 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 80445.39 0 597.3036309634889 3.795014 171 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 66697.36 0 595.2880331927124 3.8294923 172 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 54947.34 0 569.272570164922 3.881628 173 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 443.1039304657232 3.904469 174 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 181825.72 0 460.0941466113717 3.9059274 175 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 609.1454009958121 3.9169166 176 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 380.1555981491749 3.9310918 177 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 68505.234 0 460.0942179014989 3.9996758 178 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 78037.24 0 174.04027048930095 4.0048795 179 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 105808.93 0 164.0712777998749 4.019053 180 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 267.07236610771326 4.021375 181 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 79833.21 0 243.06154493732188 4.062987 182 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 57496.32 0 130.08675740473896 4.075868 183 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 438.1249847087367 4.075875 184 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 255.0538490124228 4.1011667 185 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 610.1254175638578 4.1743746 186 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 130.08674229975747 4.2527947 187 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 438.12520688369233 4.313937 188 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 157.03625348981768 4.3502917 189 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 543.1574238804784 4.3728666 190 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 151.0607771303458 4.3767834 191 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 86643.73 0 335.04897978800653 4.3777795 192 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 805897.8 0 167.0207355171104 4.3789964 193 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 421.1347911525265 4.3812447 194 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 438.124941265219 4.395296 195 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 62622.895 0 203.082047588306 4.41425 196 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 282.0836542603278 4.5568447 197 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 628.1710371025724 4.55798 198 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 144.04477615488602 4.564833 199 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 188.034766919081 4.564833 200 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 524.1255615283701 4.6126666 201 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 367.104630367268 4.635317 202 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 299.0802359566191 4.64185 203 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 779.2247774857598 4.667946 204 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 452.10414488542216 4.6702 205 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 817.1808010064028 4.6849084 206 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 389.1080301124976 4.6864667 207 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 569.1715496717898 4.696128 208 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 367.1047812773522 4.6997166 209 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 609221.75 0 432.0990540283325 4.797717 210 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 116.07132090455258 4.821183 211 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 217.08229331545024 4.82535 212 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 129.01873958262698 4.8818 213 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 59936.02 0 194.9962343263711 4.8943667 214 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 68659.38 0 114.05555697742427 4.9093885 215 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 210.08781467637203 4.9962997 216 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 468.1103896237901 5.018025 217 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 106576.164 0 432.0989539075161 5.0298166 218 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 250272.05 0 181.0713761240362 5.0403976 219 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 51053.07 0 128.95890600082953 5.1037683 220 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 296.8814541278168 5.105021 221 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 380.84315282991287 5.1079917 222 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 115810.61 0 181.071272950755 5.1460285 223 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 101.02381629960816 5.1541 224 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 163.06056434534895 5.1541 225 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 94704.02 0 499.0703057881917 5.163438 226 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 102490.375 0 443.1038964799561 5.165685 227 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 102721.516 0 369.1029343285206 5.1687927 228 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 267187.8 0 341.1079301552493 5.1698203 229 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 1398787.9 0 415.1087980866248 5.1698203 230 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 459.13419593571984 5.17145 231 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 460.09400170064487 5.1739388 232 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 457.1193800823472 5.174943 233 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 151921.17 0 432.0990695220266 5.181081 234 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 166.01720005515804 5.214 235 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 60630.555 0 432.0989800342522 5.3009253 236 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 415.1086843110904 5.315473 237 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 405.0798284861695 5.3195 238 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 451.0281055733943 5.331683 239 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 87964.78 0 382.0996065037789 5.385739 240 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 185947.17 0 432.09896431613015 5.3880396 241 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 67870.13 0 415.1085318941266 5.389007 242 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 145.01354159582584 5.389917 243 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 515.1248383471799 5.3930335 244 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 71466.18 0 405.0796264643786 5.393487 245 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 102765.49 0 424.03098378026766 5.456037 246 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 95482.12 0 367.1047873594568 5.4570303 247 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 58864.812 0 412.0307193028139 5.458311 248 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 176.05600561949558 5.4596334 249 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 101.02411049907369 5.461233 250 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 139823.31 0 187.1083709787572 5.461539 251 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 405.1022514486804 5.463267 252 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 129.01861385255603 5.4634666 253 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 147.0294478207034 5.464097 254 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 152173.88 0 305.0172190765626 5.476954 255 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 66517.73 0 111.0194704191449 5.477995 256 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 217.0824040021517 5.5011115 257 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 277.05565971217914 5.5685334 258 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 196.0720240373712 5.58455 259 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 551.1614849862333 5.6060915 260 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 283.10253817634674 5.7462 261 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 156.02736476117448 5.758633 262 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 248.9600051669244 5.7871222 263 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 118.05035977699346 5.8386555 264 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 89755.48 0 259.0907503601495 5.8413315 265 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 79053.67 0 460.1664679318693 5.8587503 266 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 64252.523 0 265.0472798894507 5.858887 267 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 271.00329828652764 5.8667593 268 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 177270.0 0 124.00674032888124 5.8679786 269 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 466.1233082645099 5.868708 270 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 118.05014916974848 5.9411335 271 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 351.066157153057 5.955333 272 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 217494.75 0 164.03809929373168 5.9858584 273 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 347.07438732956035 6.0060782 274 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 223.04523296205983 6.0157833 275 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 147.02954730833488 6.016025 276 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 196.06061180570688 6.016033 277 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 203.1031963567522 6.0169616 278 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 573.1586869662842 6.0181003 279 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 153.86829758795886 6.0183167 280 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 110052.8 0 160.8416075252179 6.020707 281 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 111698.68 0 162.83880315898347 6.0247035 282 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 96932.33 0 567.1328594557078 6.026056 283 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 164.83651664061142 6.028525 284 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 79508.82 0 341.1080752584267 6.030564 285 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 369.1302497421924 6.031767 286 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 101489.69 0 380.0857909089604 6.0329294 287 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 1554257.4 0 377.0853877019091 6.0334697 288 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 195.81007549199188 6.043524 289 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 85.0288472850776 6.044833 290 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 351.08799735586126 6.0465736 291 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 349.0902138225881 6.0477557 292 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 277284.72 0 197.8074497387195 6.054078 293 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 143306.39 0 199.80439376830344 6.0627675 294 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 255.8216864715141 6.079925 295 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 257.81861162176403 6.079925 296 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 281.08741257016163 6.1120167 297 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 567.1324168546579 6.1245666 298 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 303242.3 0 377.0854177368436 6.134367 299 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 127.05073512031956 6.165503 300 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 181221.2 0 145.06137850885108 6.168286 301 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 66635.164 0 313.1124922125512 6.1688643 302 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 1044607.2 0 487.1775502317557 6.17469 303 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 156858.48 0 341.10795982306786 6.1759744 304 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 85.02886994359115 6.17615 305 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 123151.68 0 161.04505752833575 6.177401 306 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 56293.867 0 179.05560208522587 6.178625 307 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 343012.1 0 404.1037571904742 6.1822033 308 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 108103.33 0 683.2247494213096 6.185875 309 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 533.1351576222935 6.1863747 310 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 337.076704021333 6.2700667 311 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 285.0815198256679 6.274747 312 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 131.04576483269466 6.279371 313 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 109239.016 0 473.1622238214856 6.294035 314 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 230.1140651678797 6.3078 315 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 85.02880262464393 6.31735 316 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 231.05892086463408 6.3180666 317 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 314.1243286941705 6.3269167 318 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 196641.25 0 446.151054532339 6.3333964 319 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 369.1298211998426 6.3335333 320 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 160963.73 0 341.10795574462634 6.3776975 321 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 154226.89 0 161.04510410260008 6.3806043 322 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 326265.78 0 683.2247429059362 6.3815837 323 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 440204.78 0 404.1038655823881 6.382323 324 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 129144.414 0 377.0853176704404 6.3833137 325 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 221.06585296417336 6.3838334 326 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 179.05543279200992 6.383917 327 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 69749.7 0 102.05554943706493 6.4241996 328 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 104949.14 0 128.0348326127384 6.425373 329 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 65330.17 0 852.2605059727284 6.42592 330 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 828698.5 0 146.0453959072269 6.429987 331 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 541.1171038177423 6.431733 332 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 223.04526313136947 6.4318833 333 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 1223324.1 0 488.1618629347416 6.4328423 334 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 75378.5 0 179.05555411847763 6.4345336 335 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 511.1430137507941 6.439658 336 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 533.1351540532298 6.439658 337 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 467.1167526783238 6.439775 338 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 264880.1 0 377.0853413433481 6.4412994 339 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 431.1042339825117 6.4426746 340 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 53050.984 0 719.2019545797923 6.442898 341 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 1730796.9 0 341.1080955681797 6.457898 342 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 5593783.5 0 387.1136618915369 6.457898 343 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 82753.695 0 683.2249539098053 6.4584427 344 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 390.1218790278056 6.4588284 345 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 130330.77 0 729.2302300017724 6.4595413 346 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 446.15107530207285 6.461315 347 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 473.16252597984845 6.473417 348 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 447.1374213141028 6.47365 349 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 899789.5 0 404.1039498471663 6.4754333 350 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 179.05550223928677 6.5288167 351 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 377.0852297507381 6.6390166 352 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 63981.504 0 214.04814591062063 6.6682 353 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 306.07624420267746 6.683367 354 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 165.03984875364597 6.7459664 355 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 179.05550389368108 6.7470417 356 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 404.1037504816566 6.7487497 357 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 341.10784945223566 6.7492 358 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 377.0850790905292 6.7492 359 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 566.1565289752311 6.7732 360 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 243.01754702128204 6.8341208 361 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 115593.08 0 549.1665078936674 6.8809843 362 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 331302.75 0 566.1567208219295 6.8828635 363 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 70160.47 0 503.16101714867375 6.8843307 364 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 669.2088742149062 6.8851833 365 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 157064.64 0 337.077016568431 6.8977365 366 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 128915.48 0 566.156561804381 6.9667916 367 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 267.0713044932404 7.0074997 368 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 243.0175912669956 7.0202 369 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 60399.305 0 539.1377776447937 7.053332 370 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 101822.0 0 1007.3307357121904 7.0553904 371 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 230250.2 0 549.1666558285273 7.055967 372 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 168281.27 0 503.1611043196567 7.056547 373 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 661604.3 0 566.1567883782691 7.056547 374 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 639.1984132458687 7.0575333 375 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 376.10095579196246 7.0580783 376 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 71612.28 0 636.1987491589397 7.0582223 377 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 669.2090822640757 7.059758 378 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 404.1037971182775 7.1490583 379 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 54990.72 0 539.1376228314792 7.213836 380 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 341.10772029317184 7.2142 381 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 1007.3304722686656 7.2189083 382 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 141712.55 0 503.1611182989061 7.224993 383 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 441606.5 0 566.1568050838798 7.232582 384 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 106983.71 0 549.1666816899316 7.24799 385 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 243.01747958499703 7.2602334 386 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 353.0719736718401 7.381283 387 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 728.2101972558147 7.3987937 388 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 665.2143682537479 7.400247 389 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 331.11350343417365 7.46043 390 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 296288.66 0 154.06172597466596 7.46527 391 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 711.219701545415 7.554122 392 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 665.2146918705007 7.555325 393 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 728.210304049564 7.558983 394 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 665.2144782338838 7.6589665 395 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 99371.02 0 154.06169743269285 7.675626 396 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 131.08221250719097 7.6823187 397 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 521.3273246910464 7.6840444 398 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 73342.39 0 173.10395175344638 7.6845536 399 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 154.0616812406937 7.8202085 400 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 66706.8 0 145.0977860469393 7.8258553 401 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 195.0503885530922 7.8264165 402 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 165.0398028737673 7.828483 403 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 171.00600177800553 7.8455634 404 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 171.00592826118296 7.9485 405 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 154.06166983247007 7.98075 406 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 195.05045159730776 7.9821835 407 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 54872.64 0 131.08210329472166 7.9839334 408 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 183127.56 0 333.0587423397049 8.207429 409 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 158.97797888260817 9.841453 410 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 0.0 0 289.9483832120276 9.841567 411 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML 66278.734 0 272.9585951265392 9.841882 1 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 93.03385290447436 1.3726889 2 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 342.2282842200452 1.3893917 3 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 774.5279624210174 1.4256333 4 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 414.1218492977562 1.4882333 5 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 314.1968815601056 1.4933132 6 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 201.0761274655518 1.533225 7 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 217.10738466723123 1.5635065 8 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 93.04496836540216 1.59925 9 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 272.1496694202024 1.62595 10 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 802.5603771415259 1.6640555 11 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 178.05023404461056 1.6760334 12 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 188.94898253557048 1.7026334 13 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 204.12365316668223 1.7026334 14 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 77723.49 0 293.17860481195504 1.708019 15 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 776.5433957777306 1.751811 16 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 774.5288730138618 1.76045 17 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 117900.66 0 309.1736714811531 1.7619792 18 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 72129.81 0 353.1994786176988 1.798662 19 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 202.1078766798916 1.80035 20 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 397.22625990072027 1.8235583 21 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 52310.85 0 171.06571659654227 1.827863 22 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 127.07591121213706 1.8292907 23 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 258.1340381334496 1.8461833 24 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 316.2126434271194 1.8711833 25 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 89.0235512311677 1.8853583 26 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 244.11833914250303 1.8909167 27 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 194.08163019411083 1.92555 28 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 111.0194360568886 1.9417667 29 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 167.03440596891804 1.9441166 30 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 216.1234363986188 1.9783 31 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 216.94379145047068 2.0031228 32 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 360.23881181531686 2.00415 33 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 99.00803117810024 2.0057502 34 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 355807.2 0 117.01877083220012 2.0078368 35 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 81095.445 0 73.0285860830186 2.0082808 36 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 530.2785104120919 2.0152998 37 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 318.02785704601115 2.0189166 38 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 437.21358469950616 2.0189166 39 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 91165.84 0 218.1031052887504 2.024331 40 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 88.03967650136562 2.0265 41 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 150947.08 0 742.5387858229274 2.043875 42 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 412718.06 0 716.522749977004 2.0675 43 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 89.02355611082942 2.0678582 44 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 195.06571730541225 2.0697334 45 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 360.2388161045092 2.0765834 46 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 230.10263502127668 2.0879667 47 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 52426.195 0 702.5076365968943 2.0886 48 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 246.99120909765568 2.0927222 49 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 243.13437202348544 2.0970666 50 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 768027.6 0 688.4919999607429 2.1007051 51 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 132243.78 0 660.4605446622179 2.128822 52 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 201.07597957430923 2.177861 53 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 222.0763033454145 2.181225 54 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 153.01862959637714 2.22745 55 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 403.1241872745805 2.2475874 56 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 151.0395460357251 2.2482166 57 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 349.06927581920576 2.2494724 58 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 176129.8 0 359.09750936117143 2.2495408 59 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 89.02367397714102 2.2499542 60 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 260.1495206114146 2.2600918 61 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 208.06051489951616 2.2895334 62 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 229.1184198004067 2.297429 63 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 285.0608566468509 2.3280666 64 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 206.04552680170684 2.3593166 65 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 241.0350635576058 2.3800666 66 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 566.3457974096141 2.42135 67 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 362.2442056064621 2.4242666 68 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 160.03983663046114 2.44055 69 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 161.0449419243981 2.48759 70 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 336.22903204045184 2.5179167 71 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 151.0606203206697 2.5271666 72 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 459.1136845440237 2.5279167 73 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 58404.8 0 687.5440678824715 2.5327036 74 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 165.0188311080946 2.5618834 75 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 95274.82 0 659.5124284446764 2.5621688 76 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 631.4810305663648 2.60535 77 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 246.134080266216 2.6086943 78 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 229.0710375000464 2.619675 79 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 215.1030108191725 2.6454399 80 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 77454.25 0 365.1633183905246 2.64855 81 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 187.0411037236024 2.6628668 82 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 115.02029022867096 2.6806 83 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 463.10876429689966 2.6806 84 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 194.04522665628 2.7020664 85 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 191.07267377279115 2.7035 86 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 189.05612915029147 2.703886 87 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 63428.57 0 205.049599795934 2.7047243 88 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 478.29335782667874 2.7097 89 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 245.04647653186083 2.7155416 90 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 217.0328329782935 2.7182 91 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 261.04062605310975 2.7182 92 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 173.02576793846893 2.7202168 93 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 62350.74 0 205.0139200348532 2.7220578 94 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 246.0437565312131 2.7296085 95 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 203.0331934649314 2.7343335 96 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 247.03641790824423 2.7391334 97 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 478.29358068357527 2.7805529 98 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 450.26276122576456 2.7924333 99 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 450.2623329483288 2.8485205 100 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 905.5637132131336 2.8517332 101 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 452.2774502174688 2.8579333 102 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 453.2809182724429 2.8586445 103 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 305.0683101668419 2.86956 104 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 187.04126450765307 2.8698082 105 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 417.1031486293373 2.8980167 106 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 553.1767620418868 2.8980167 107 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 509.1503466515295 2.902425 108 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 513.2188948283712 2.9071333 109 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 463.1090300636153 2.911446 110 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 379.1606913172725 2.9115334 111 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 424.24667016223407 2.9308333 112 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 287.16088355963427 2.942675 113 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 396912.62 0 151.02565353793702 2.960931 114 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 89.023644609207 2.96735 115 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 68179.875 0 135.03064799851376 2.9680166 116 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 70923.32 0 299.0763710941055 2.999043 117 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 305.0693976881394 3.0389333 118 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 279.03816479439735 3.069239 119 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 495.11752787468345 3.0693083 120 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 53049.855 0 200.0559653389267 3.069594 121 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 280761.12 0 243.0615161475912 3.0696342 122 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 254.0665093188214 3.081675 123 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 441.161109644883 3.1197777 124 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 386.14498918221614 3.1430666 125 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 121589.53 0 423.0946742362405 3.1635807 126 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 805.487208410837 3.1671333 127 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 808.5054019042612 3.1671333 128 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 431.1189294135333 3.212346 129 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 494.1149903010408 3.2123778 130 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 863.2466333941438 3.212346 131 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 161071.66 0 201.08767626698824 3.2730463 132 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 181.07116378738937 3.2767832 133 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 379.16044685174256 3.2937167 134 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 425.1659360092301 3.2939835 135 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 415.13719069716257 3.2972667 136 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 442.155774968465 3.2983918 137 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 508.2029935900176 3.3033278 138 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 233.0118147563065 3.30885 139 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 300692.5 0 128.0347547953409 3.3096147 140 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 227.95989955231545 3.3166084 141 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 279.0592001778712 3.3235333 142 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 338.10879131481295 3.3376334 143 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 427.12655414683854 3.3376334 144 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 510.1829772658847 3.34115 145 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 428.11891319497687 3.3887832 146 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 283.0844953165966 3.3931668 147 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 93414.18 0 299.076537947216 3.3932598 148 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 51137.6 0 188.0558698558908 3.4127185 149 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 417.1031192578657 3.4173584 150 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 157.0137208641791 3.4216666 151 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 175.02426445945224 3.4216666 152 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 128.03483206810057 3.4975834 153 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 389.107928268466 3.4981833 154 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 181.0711946932322 3.499129 155 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 167.07076991550073 3.5078166 156 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 229.07116449741457 3.5078166 157 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 111328.9 0 224.05584246171915 3.5101979 158 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 194.04517579040763 3.5137749 159 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 323.980758793017 3.5185165 160 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 417.1031244283464 3.5503209 161 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 243.0504114435401 3.63265 162 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 265.08267086505225 3.6427999 163 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 199.06057341944896 3.688 164 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 185925.03 0 356.134749942328 3.703332 165 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 137984.25 0 419.1298477158531 3.7040455 166 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 194.08204788413832 3.7056668 167 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 105655.8 0 535.153498026724 3.7377152 168 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 490927.7 0 267.0728731788562 3.7380428 169 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 55340.918 0 460.0941949935822 3.7703612 170 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 597.3036309634889 3.795014 171 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 595.2880331927124 3.8294923 172 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 569.272570164922 3.881628 173 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 443.1039304657232 3.904469 174 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 115597.61 0 460.0941466113717 3.9059274 175 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 609.1454009958121 3.9169166 176 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 380.1555981491749 3.9310918 177 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 460.0942179014989 3.9996758 178 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 174.04027048930095 4.0048795 179 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 108811.42 0 164.0712777998749 4.019053 180 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 267.07236610771326 4.021375 181 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 65775.86 0 243.06154493732188 4.062987 182 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 70353.484 0 130.08675740473896 4.075868 183 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 438.1249847087367 4.075875 184 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 255.0538490124228 4.1011667 185 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 610.1254175638578 4.1743746 186 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 130.08674229975747 4.2527947 187 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 438.12520688369233 4.313937 188 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 157.03625348981768 4.3502917 189 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 543.1574238804784 4.3728666 190 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 151.0607771303458 4.3767834 191 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 104077.56 0 335.04897978800653 4.3777795 192 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 833050.44 0 167.0207355171104 4.3789964 193 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 421.1347911525265 4.3812447 194 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 438.124941265219 4.395296 195 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 55459.664 0 203.082047588306 4.41425 196 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 282.0836542603278 4.5568447 197 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 628.1710371025724 4.55798 198 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 144.04477615488602 4.564833 199 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 188.034766919081 4.564833 200 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 524.1255615283701 4.6126666 201 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 367.104630367268 4.635317 202 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 299.0802359566191 4.64185 203 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 779.2247774857598 4.667946 204 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 452.10414488542216 4.6702 205 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 817.1808010064028 4.6849084 206 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 389.1080301124976 4.6864667 207 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 569.1715496717898 4.696128 208 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 367.1047812773522 4.6997166 209 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 344106.22 0 432.0990540283325 4.797717 210 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 116.07132090455258 4.821183 211 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 217.08229331545024 4.82535 212 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 129.01873958262698 4.8818 213 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 194.9962343263711 4.8943667 214 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 55071.113 0 114.05555697742427 4.9093885 215 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 210.08781467637203 4.9962997 216 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 468.1103896237901 5.018025 217 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 432.0989539075161 5.0298166 218 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 210128.64 0 181.0713761240362 5.0403976 219 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 128.95890600082953 5.1037683 220 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 296.8814541278168 5.105021 221 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 380.84315282991287 5.1079917 222 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 160830.02 0 181.071272950755 5.1460285 223 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 101.02381629960816 5.1541 224 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 163.06056434534895 5.1541 225 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 60477.26 0 499.0703057881917 5.163438 226 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 443.1038964799561 5.165685 227 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 81499.29 0 369.1029343285206 5.1687927 228 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 215819.28 0 341.1079301552493 5.1698203 229 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 1041898.6 0 415.1087980866248 5.1698203 230 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 459.13419593571984 5.17145 231 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 460.09400170064487 5.1739388 232 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 457.1193800823472 5.174943 233 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 637796.56 0 432.0990695220266 5.181081 234 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 166.01720005515804 5.214 235 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 90918.15 0 432.0989800342522 5.3009253 236 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 415.1086843110904 5.315473 237 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 405.0798284861695 5.3195 238 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 451.0281055733943 5.331683 239 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 58138.85 0 382.0996065037789 5.385739 240 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 119757.25 0 432.09896431613015 5.3880396 241 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 415.1085318941266 5.389007 242 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 145.01354159582584 5.389917 243 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 515.1248383471799 5.3930335 244 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 405.0796264643786 5.393487 245 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 108239.375 0 424.03098378026766 5.456037 246 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 89964.0 0 367.1047873594568 5.4570303 247 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 412.0307193028139 5.458311 248 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 176.05600561949558 5.4596334 249 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 101.02411049907369 5.461233 250 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 158403.92 0 187.1083709787572 5.461539 251 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 405.1022514486804 5.463267 252 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 129.01861385255603 5.4634666 253 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 147.0294478207034 5.464097 254 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 108640.34 0 305.0172190765626 5.476954 255 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 111.0194704191449 5.477995 256 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 217.0824040021517 5.5011115 257 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 277.05565971217914 5.5685334 258 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 196.0720240373712 5.58455 259 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 551.1614849862333 5.6060915 260 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 283.10253817634674 5.7462 261 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 156.02736476117448 5.758633 262 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 248.9600051669244 5.7871222 263 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 77328.016 0 118.05035977699346 5.8386555 264 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 225772.73 0 259.0907503601495 5.8413315 265 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 460.1664679318693 5.8587503 266 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 265.0472798894507 5.858887 267 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 80681.02 0 271.00329828652764 5.8667593 268 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 184999.55 0 124.00674032888124 5.8679786 269 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 95685.98 0 466.1233082645099 5.868708 270 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 118.05014916974848 5.9411335 271 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 121825.29 0 351.066157153057 5.955333 272 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 270589.88 0 164.03809929373168 5.9858584 273 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 347.07438732956035 6.0060782 274 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 223.04523296205983 6.0157833 275 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 147.02954730833488 6.016025 276 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 196.06061180570688 6.016033 277 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 203.1031963567522 6.0169616 278 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 573.1586869662842 6.0181003 279 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 153.86829758795886 6.0183167 280 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 91567.914 0 160.8416075252179 6.020707 281 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 90560.59 0 162.83880315898347 6.0247035 282 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 567.1328594557078 6.026056 283 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 164.83651664061142 6.028525 284 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 341.1080752584267 6.030564 285 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 369.1302497421924 6.031767 286 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 380.0857909089604 6.0329294 287 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 498752.12 0 377.0853877019091 6.0334697 288 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 216652.44 0 195.81007549199188 6.043524 289 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 85.0288472850776 6.044833 290 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 351.08799735586126 6.0465736 291 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 349.0902138225881 6.0477557 292 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 271205.8 0 197.8074497387195 6.054078 293 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 199.80439376830344 6.0627675 294 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 54394.688 0 255.8216864715141 6.079925 295 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 55831.812 0 257.81861162176403 6.079925 296 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 281.08741257016163 6.1120167 297 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 567.1324168546579 6.1245666 298 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 150467.9 0 377.0854177368436 6.134367 299 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 127.05073512031956 6.165503 300 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 206540.95 0 145.06137850885108 6.168286 301 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 75306.35 0 313.1124922125512 6.1688643 302 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 814498.5 0 487.1775502317557 6.17469 303 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 91057.46 0 341.10795982306786 6.1759744 304 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 85.02886994359115 6.17615 305 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 60969.152 0 161.04505752833575 6.177401 306 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 179.05560208522587 6.178625 307 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 217150.67 0 404.1037571904742 6.1822033 308 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 683.2247494213096 6.185875 309 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 533.1351576222935 6.1863747 310 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 337.076704021333 6.2700667 311 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 285.0815198256679 6.274747 312 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 131.04576483269466 6.279371 313 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 473.1622238214856 6.294035 314 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 230.1140651678797 6.3078 315 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 85.02880262464393 6.31735 316 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 231.05892086463408 6.3180666 317 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 314.1243286941705 6.3269167 318 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 120195.41 0 446.151054532339 6.3333964 319 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 369.1298211998426 6.3335333 320 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 80878.65 0 341.10795574462634 6.3776975 321 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 77970.34 0 161.04510410260008 6.3806043 322 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 145113.0 0 683.2247429059362 6.3815837 323 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 342842.56 0 404.1038655823881 6.382323 324 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 107459.66 0 377.0853176704404 6.3833137 325 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 221.06585296417336 6.3838334 326 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 179.05543279200992 6.383917 327 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 102.05554943706493 6.4241996 328 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 128.0348326127384 6.425373 329 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 68880.08 0 852.2605059727284 6.42592 330 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 434340.16 0 146.0453959072269 6.429987 331 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 541.1171038177423 6.431733 332 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 223.04526313136947 6.4318833 333 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 621118.5 0 488.1618629347416 6.4328423 334 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 179.05555411847763 6.4345336 335 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 511.1430137507941 6.439658 336 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 533.1351540532298 6.439658 337 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 467.1167526783238 6.439775 338 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 209004.58 0 377.0853413433481 6.4412994 339 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 431.1042339825117 6.4426746 340 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 719.2019545797923 6.442898 341 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 947824.2 0 341.1080955681797 6.457898 342 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 3062010.2 0 387.1136618915369 6.457898 343 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 53793.574 0 683.2249539098053 6.4584427 344 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 390.1218790278056 6.4588284 345 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 79714.234 0 729.2302300017724 6.4595413 346 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 446.15107530207285 6.461315 347 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 473.16252597984845 6.473417 348 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 447.1374213141028 6.47365 349 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 901627.56 0 404.1039498471663 6.4754333 350 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 179.05550223928677 6.5288167 351 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 377.0852297507381 6.6390166 352 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 214.04814591062063 6.6682 353 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 306.07624420267746 6.683367 354 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 165.03984875364597 6.7459664 355 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 179.05550389368108 6.7470417 356 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 404.1037504816566 6.7487497 357 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 341.10784945223566 6.7492 358 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 377.0850790905292 6.7492 359 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 566.1565289752311 6.7732 360 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 243.01754702128204 6.8341208 361 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 549.1665078936674 6.8809843 362 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 566.1567208219295 6.8828635 363 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 503.16101714867375 6.8843307 364 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 669.2088742149062 6.8851833 365 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 78244.234 0 337.077016568431 6.8977365 366 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 566.156561804381 6.9667916 367 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 267.0713044932404 7.0074997 368 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 243.0175912669956 7.0202 369 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 539.1377776447937 7.053332 370 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 1007.3307357121904 7.0553904 371 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 88106.695 0 549.1666558285273 7.055967 372 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 69676.12 0 503.1611043196567 7.056547 373 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 375802.4 0 566.1567883782691 7.056547 374 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 639.1984132458687 7.0575333 375 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 52463.06 0 376.10095579196246 7.0580783 376 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 636.1987491589397 7.0582223 377 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 669.2090822640757 7.059758 378 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 404.1037971182775 7.1490583 379 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 539.1376228314792 7.213836 380 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 341.10772029317184 7.2142 381 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 1007.3304722686656 7.2189083 382 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 71282.56 0 503.1611182989061 7.224993 383 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 233227.4 0 566.1568050838798 7.232582 384 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 69247.305 0 549.1666816899316 7.24799 385 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 243.01747958499703 7.2602334 386 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 353.0719736718401 7.381283 387 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 728.2101972558147 7.3987937 388 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 665.2143682537479 7.400247 389 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 331.11350343417365 7.46043 390 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 240779.08 0 154.06172597466596 7.46527 391 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 711.219701545415 7.554122 392 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 665.2146918705007 7.555325 393 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 728.210304049564 7.558983 394 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 665.2144782338838 7.6589665 395 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 83359.48 0 154.06169743269285 7.675626 396 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 131.08221250719097 7.6823187 397 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 521.3273246910464 7.6840444 398 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 71541.18 0 173.10395175344638 7.6845536 399 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 64719.87 0 154.0616812406937 7.8202085 400 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 133258.72 0 145.0977860469393 7.8258553 401 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 195.0503885530922 7.8264165 402 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 165.0398028737673 7.828483 403 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 171.00600177800553 7.8455634 404 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 171.00592826118296 7.9485 405 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 154.06166983247007 7.98075 406 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 195.05045159730776 7.9821835 407 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 131.08210329472166 7.9839334 408 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 333.0587423397049 8.207429 409 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 158.97797888260817 9.841453 410 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 0.0 0 289.9483832120276 9.841567 411 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML 50093.688 0 272.9585951265392 9.841882 1 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 93.03385290447436 1.3726889 2 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 342.2282842200452 1.3893917 3 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 774.5279624210174 1.4256333 4 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 414.1218492977562 1.4882333 5 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 314.1968815601056 1.4933132 6 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 201.0761274655518 1.533225 7 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 217.10738466723123 1.5635065 8 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 93.04496836540216 1.59925 9 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 272.1496694202024 1.62595 10 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 58121.242 0 802.5603771415259 1.6640555 11 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 178.05023404461056 1.6760334 12 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 188.94898253557048 1.7026334 13 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 204.12365316668223 1.7026334 14 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 54101.297 0 293.17860481195504 1.708019 15 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 55008.695 0 776.5433957777306 1.751811 16 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 75147.625 0 774.5288730138618 1.76045 17 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 309.1736714811531 1.7619792 18 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 353.1994786176988 1.798662 19 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 202.1078766798916 1.80035 20 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 397.22625990072027 1.8235583 21 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 98577.04 0 171.06571659654227 1.827863 22 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 63700.742 0 127.07591121213706 1.8292907 23 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 258.1340381334496 1.8461833 24 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 316.2126434271194 1.8711833 25 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 89.0235512311677 1.8853583 26 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 244.11833914250303 1.8909167 27 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 194.08163019411083 1.92555 28 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 68899.62 0 111.0194360568886 1.9417667 29 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 167.03440596891804 1.9441166 30 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 216.1234363986188 1.9783 31 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 53857.688 0 216.94379145047068 2.0031228 32 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 360.23881181531686 2.00415 33 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 99.00803117810024 2.0057502 34 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 332876.47 0 117.01877083220012 2.0078368 35 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 73.0285860830186 2.0082808 36 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 530.2785104120919 2.0152998 37 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 318.02785704601115 2.0189166 38 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 437.21358469950616 2.0189166 39 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 134797.8 0 218.1031052887504 2.024331 40 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 88.03967650136562 2.0265 41 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 268131.22 0 742.5387858229274 2.043875 42 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 569847.9 0 716.522749977004 2.0675 43 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 89.02355611082942 2.0678582 44 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 195.06571730541225 2.0697334 45 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 360.2388161045092 2.0765834 46 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 230.10263502127668 2.0879667 47 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 702.5076365968943 2.0886 48 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 246.99120909765568 2.0927222 49 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 243.13437202348544 2.0970666 50 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 1013616.1 0 688.4919999607429 2.1007051 51 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 159820.95 0 660.4605446622179 2.128822 52 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 201.07597957430923 2.177861 53 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 222.0763033454145 2.181225 54 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 153.01862959637714 2.22745 55 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 403.1241872745805 2.2475874 56 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 151.0395460357251 2.2482166 57 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 349.06927581920576 2.2494724 58 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 67253.875 0 359.09750936117143 2.2495408 59 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 89.02367397714102 2.2499542 60 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 260.1495206114146 2.2600918 61 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 208.06051489951616 2.2895334 62 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 229.1184198004067 2.297429 63 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 285.0608566468509 2.3280666 64 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 206.04552680170684 2.3593166 65 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 241.0350635576058 2.3800666 66 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 566.3457974096141 2.42135 67 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 362.2442056064621 2.4242666 68 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 160.03983663046114 2.44055 69 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 161.0449419243981 2.48759 70 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 336.22903204045184 2.5179167 71 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 151.0606203206697 2.5271666 72 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 459.1136845440237 2.5279167 73 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 156279.83 0 687.5440678824715 2.5327036 74 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 165.0188311080946 2.5618834 75 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 222173.25 0 659.5124284446764 2.5621688 76 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 631.4810305663648 2.60535 77 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 246.134080266216 2.6086943 78 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 229.0710375000464 2.619675 79 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 215.1030108191725 2.6454399 80 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 365.1633183905246 2.64855 81 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 53423.33 0 187.0411037236024 2.6628668 82 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 115.02029022867096 2.6806 83 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 463.10876429689966 2.6806 84 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 194.04522665628 2.7020664 85 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 191.07267377279115 2.7035 86 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 61567.113 0 189.05612915029147 2.703886 87 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 68630.69 0 205.049599795934 2.7047243 88 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 478.29335782667874 2.7097 89 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 245.04647653186083 2.7155416 90 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 217.0328329782935 2.7182 91 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 261.04062605310975 2.7182 92 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 173.02576793846893 2.7202168 93 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 71843.84 0 205.0139200348532 2.7220578 94 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 246.0437565312131 2.7296085 95 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 203.0331934649314 2.7343335 96 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 51352.457 0 247.03641790824423 2.7391334 97 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 91157.47 0 478.29358068357527 2.7805529 98 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 450.26276122576456 2.7924333 99 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 74553.0 0 450.2623329483288 2.8485205 100 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 905.5637132131336 2.8517332 101 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 229593.89 0 452.2774502174688 2.8579333 102 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 63174.69 0 453.2809182724429 2.8586445 103 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 305.0683101668419 2.86956 104 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 187.04126450765307 2.8698082 105 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 417.1031486293373 2.8980167 106 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 553.1767620418868 2.8980167 107 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 509.1503466515295 2.902425 108 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 513.2188948283712 2.9071333 109 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 463.1090300636153 2.911446 110 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 379.1606913172725 2.9115334 111 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 424.24667016223407 2.9308333 112 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 287.16088355963427 2.942675 113 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 151.02565353793702 2.960931 114 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 89.023644609207 2.96735 115 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 135.03064799851376 2.9680166 116 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 299.0763710941055 2.999043 117 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 305.0693976881394 3.0389333 118 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 279.03816479439735 3.069239 119 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 115679.0 0 495.11752787468345 3.0693083 120 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 71454.44 0 200.0559653389267 3.069594 121 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 369085.2 0 243.0615161475912 3.0696342 122 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 254.0665093188214 3.081675 123 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 441.161109644883 3.1197777 124 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 386.14498918221614 3.1430666 125 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 423.0946742362405 3.1635807 126 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 805.487208410837 3.1671333 127 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 808.5054019042612 3.1671333 128 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 431.1189294135333 3.212346 129 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 494.1149903010408 3.2123778 130 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 863.2466333941438 3.212346 131 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 67060.58 0 201.08767626698824 3.2730463 132 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 181.07116378738937 3.2767832 133 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 379.16044685174256 3.2937167 134 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 425.1659360092301 3.2939835 135 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 415.13719069716257 3.2972667 136 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 442.155774968465 3.2983918 137 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 508.2029935900176 3.3033278 138 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 233.0118147563065 3.30885 139 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 182454.7 0 128.0347547953409 3.3096147 140 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 227.95989955231545 3.3166084 141 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 279.0592001778712 3.3235333 142 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 338.10879131481295 3.3376334 143 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 427.12655414683854 3.3376334 144 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 510.1829772658847 3.34115 145 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 428.11891319497687 3.3887832 146 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 283.0844953165966 3.3931668 147 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 299.076537947216 3.3932598 148 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 188.0558698558908 3.4127185 149 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 417.1031192578657 3.4173584 150 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 157.0137208641791 3.4216666 151 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 175.02426445945224 3.4216666 152 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 128.03483206810057 3.4975834 153 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 389.107928268466 3.4981833 154 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 181.0711946932322 3.499129 155 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 167.07076991550073 3.5078166 156 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 229.07116449741457 3.5078166 157 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 97974.7 0 224.05584246171915 3.5101979 158 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 194.04517579040763 3.5137749 159 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 323.980758793017 3.5185165 160 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 417.1031244283464 3.5503209 161 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 243.0504114435401 3.63265 162 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 265.08267086505225 3.6427999 163 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 199.06057341944896 3.688 164 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 81672.06 0 356.134749942328 3.703332 165 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 70986.8 0 419.1298477158531 3.7040455 166 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 194.08204788413832 3.7056668 167 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 74730.21 0 535.153498026724 3.7377152 168 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 387037.34 0 267.0728731788562 3.7380428 169 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 91122.3 0 460.0941949935822 3.7703612 170 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 103098.234 0 597.3036309634889 3.795014 171 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 74421.03 0 595.2880331927124 3.8294923 172 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 569.272570164922 3.881628 173 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 80809.766 0 443.1039304657232 3.904469 174 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 222378.64 0 460.0941466113717 3.9059274 175 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 609.1454009958121 3.9169166 176 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 380.1555981491749 3.9310918 177 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 64973.438 0 460.0942179014989 3.9996758 178 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 97791.41 0 174.04027048930095 4.0048795 179 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 56899.2 0 164.0712777998749 4.019053 180 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 267.07236610771326 4.021375 181 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 243.06154493732188 4.062987 182 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 130.08675740473896 4.075868 183 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 438.1249847087367 4.075875 184 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 255.0538490124228 4.1011667 185 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 610.1254175638578 4.1743746 186 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 130.08674229975747 4.2527947 187 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 438.12520688369233 4.313937 188 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 157.03625348981768 4.3502917 189 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 543.1574238804784 4.3728666 190 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 151.0607771303458 4.3767834 191 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 70615.95 0 335.04897978800653 4.3777795 192 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 589134.5 0 167.0207355171104 4.3789964 193 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 421.1347911525265 4.3812447 194 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 438.124941265219 4.395296 195 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 203.082047588306 4.41425 196 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 114589.18 0 282.0836542603278 4.5568447 197 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 85425.55 0 628.1710371025724 4.55798 198 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 144.04477615488602 4.564833 199 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 188.034766919081 4.564833 200 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 524.1255615283701 4.6126666 201 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 367.104630367268 4.635317 202 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 299.0802359566191 4.64185 203 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 779.2247774857598 4.667946 204 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 452.10414488542216 4.6702 205 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 817.1808010064028 4.6849084 206 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 389.1080301124976 4.6864667 207 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 569.1715496717898 4.696128 208 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 367.1047812773522 4.6997166 209 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 308422.34 0 432.0990540283325 4.797717 210 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 116.07132090455258 4.821183 211 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 217.08229331545024 4.82535 212 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 129.01873958262698 4.8818 213 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 194.9962343263711 4.8943667 214 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 81199.26 0 114.05555697742427 4.9093885 215 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 210.08781467637203 4.9962997 216 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 468.1103896237901 5.018025 217 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 432.0989539075161 5.0298166 218 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 334312.4 0 181.0713761240362 5.0403976 219 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 128.95890600082953 5.1037683 220 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 296.8814541278168 5.105021 221 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 380.84315282991287 5.1079917 222 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 181.071272950755 5.1460285 223 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 101.02381629960816 5.1541 224 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 163.06056434534895 5.1541 225 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 98261.82 0 499.0703057881917 5.163438 226 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 130507.234 0 443.1038964799561 5.165685 227 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 183927.2 0 369.1029343285206 5.1687927 228 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 474927.88 0 341.1079301552493 5.1698203 229 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 2430207.5 0 415.1087980866248 5.1698203 230 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 72865.32 0 459.13419593571984 5.17145 231 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 63089.465 0 460.09400170064487 5.1739388 232 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 131378.7 0 457.1193800823472 5.174943 233 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 840059.8 0 432.0990695220266 5.181081 234 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 166.01720005515804 5.214 235 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 202075.67 0 432.0989800342522 5.3009253 236 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 63466.195 0 415.1086843110904 5.315473 237 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 405.0798284861695 5.3195 238 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 451.0281055733943 5.331683 239 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 382.0996065037789 5.385739 240 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 290036.38 0 432.09896431613015 5.3880396 241 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 110730.66 0 415.1085318941266 5.389007 242 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 145.01354159582584 5.389917 243 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 515.1248383471799 5.3930335 244 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 99780.57 0 405.0796264643786 5.393487 245 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 112100.64 0 424.03098378026766 5.456037 246 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 104690.44 0 367.1047873594568 5.4570303 247 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 412.0307193028139 5.458311 248 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 176.05600561949558 5.4596334 249 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 101.02411049907369 5.461233 250 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 187.1083709787572 5.461539 251 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 405.1022514486804 5.463267 252 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 129.01861385255603 5.4634666 253 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 147.0294478207034 5.464097 254 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 274472.88 0 305.0172190765626 5.476954 255 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 117462.92 0 111.0194704191449 5.477995 256 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 217.0824040021517 5.5011115 257 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 277.05565971217914 5.5685334 258 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 196.0720240373712 5.58455 259 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 551.1614849862333 5.6060915 260 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 283.10253817634674 5.7462 261 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 156.02736476117448 5.758633 262 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 248.9600051669244 5.7871222 263 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 118.05035977699346 5.8386555 264 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 259.0907503601495 5.8413315 265 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 460.1664679318693 5.8587503 266 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 265.0472798894507 5.858887 267 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 124706.48 0 271.00329828652764 5.8667593 268 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 267211.25 0 124.00674032888124 5.8679786 269 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 466.1233082645099 5.868708 270 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 118.05014916974848 5.9411335 271 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 351.066157153057 5.955333 272 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 202243.94 0 164.03809929373168 5.9858584 273 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 347.07438732956035 6.0060782 274 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 223.04523296205983 6.0157833 275 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 147.02954730833488 6.016025 276 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 196.06061180570688 6.016033 277 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 203.1031963567522 6.0169616 278 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 573.1586869662842 6.0181003 279 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 153.86829758795886 6.0183167 280 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 107907.89 0 160.8416075252179 6.020707 281 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 111661.055 0 162.83880315898347 6.0247035 282 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 191860.69 0 567.1328594557078 6.026056 283 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 57311.96 0 164.83651664061142 6.028525 284 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 341.1080752584267 6.030564 285 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 369.1302497421924 6.031767 286 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 54366.45 0 380.0857909089604 6.0329294 287 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 853530.7 0 377.0853877019091 6.0334697 288 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 212956.73 0 195.81007549199188 6.043524 289 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 85.0288472850776 6.044833 290 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 351.08799735586126 6.0465736 291 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 349.0902138225881 6.0477557 292 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 263626.88 0 197.8074497387195 6.054078 293 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 134326.0 0 199.80439376830344 6.0627675 294 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 54211.1 0 255.8216864715141 6.079925 295 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 55371.12 0 257.81861162176403 6.079925 296 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 281.08741257016163 6.1120167 297 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 567.1324168546579 6.1245666 298 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 226989.78 0 377.0854177368436 6.134367 299 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 127.05073512031956 6.165503 300 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 221321.98 0 145.06137850885108 6.168286 301 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 76464.97 0 313.1124922125512 6.1688643 302 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 879614.7 0 487.1775502317557 6.17469 303 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 99061.47 0 341.10795982306786 6.1759744 304 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 85.02886994359115 6.17615 305 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 69326.78 0 161.04505752833575 6.177401 306 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 179.05560208522587 6.178625 307 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 239242.5 0 404.1037571904742 6.1822033 308 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 683.2247494213096 6.185875 309 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 533.1351576222935 6.1863747 310 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 337.076704021333 6.2700667 311 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 285.0815198256679 6.274747 312 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 131.04576483269466 6.279371 313 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 473.1622238214856 6.294035 314 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 230.1140651678797 6.3078 315 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 85.02880262464393 6.31735 316 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 231.05892086463408 6.3180666 317 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 314.1243286941705 6.3269167 318 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 237173.89 0 446.151054532339 6.3333964 319 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 369.1298211998426 6.3335333 320 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 95578.72 0 341.10795574462634 6.3776975 321 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 83928.12 0 161.04510410260008 6.3806043 322 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 134809.89 0 683.2247429059362 6.3815837 323 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 342176.44 0 404.1038655823881 6.382323 324 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 377.0853176704404 6.3833137 325 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 221.06585296417336 6.3838334 326 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 179.05543279200992 6.383917 327 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 61208.676 0 102.05554943706493 6.4241996 328 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 91668.08 0 128.0348326127384 6.425373 329 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 852.2605059727284 6.42592 330 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 824040.3 0 146.0453959072269 6.429987 331 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 74745.51 0 541.1171038177423 6.431733 332 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 223.04526313136947 6.4318833 333 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 1224104.5 0 488.1618629347416 6.4328423 334 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 179.05555411847763 6.4345336 335 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 511.1430137507941 6.439658 336 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 533.1351540532298 6.439658 337 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 467.1167526783238 6.439775 338 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 275593.84 0 377.0853413433481 6.4412994 339 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 431.1042339825117 6.4426746 340 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 55882.29 0 719.2019545797923 6.442898 341 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 2829053.2 0 341.1080955681797 6.457898 342 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 8939869.0 0 387.1136618915369 6.457898 343 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 113545.586 0 683.2249539098053 6.4584427 344 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 62975.73 0 390.1218790278056 6.4588284 345 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 205769.4 0 729.2302300017724 6.4595413 346 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 57930.387 0 446.15107530207285 6.461315 347 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 473.16252597984845 6.473417 348 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 447.1374213141028 6.47365 349 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 883919.56 0 404.1039498471663 6.4754333 350 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 179.05550223928677 6.5288167 351 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 377.0852297507381 6.6390166 352 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 214.04814591062063 6.6682 353 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 306.07624420267746 6.683367 354 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 165.03984875364597 6.7459664 355 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 179.05550389368108 6.7470417 356 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 404.1037504816566 6.7487497 357 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 341.10784945223566 6.7492 358 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 377.0850790905292 6.7492 359 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 566.1565289752311 6.7732 360 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 243.01754702128204 6.8341208 361 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 100922.07 0 549.1665078936674 6.8809843 362 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 307550.2 0 566.1567208219295 6.8828635 363 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 60948.254 0 503.16101714867375 6.8843307 364 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 669.2088742149062 6.8851833 365 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 337.077016568431 6.8977365 366 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 566.156561804381 6.9667916 367 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 267.0713044932404 7.0074997 368 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 243.0175912669956 7.0202 369 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 56598.9 0 539.1377776447937 7.053332 370 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 80898.87 0 1007.3307357121904 7.0553904 371 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 260366.66 0 549.1666558285273 7.055967 372 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 150288.95 0 503.1611043196567 7.056547 373 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 703062.6 0 566.1567883782691 7.056547 374 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 639.1984132458687 7.0575333 375 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 154594.55 0 376.10095579196246 7.0580783 376 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 636.1987491589397 7.0582223 377 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 669.2090822640757 7.059758 378 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 404.1037971182775 7.1490583 379 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 50534.324 0 539.1376228314792 7.213836 380 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 341.10772029317184 7.2142 381 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 1007.3304722686656 7.2189083 382 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 120161.66 0 503.1611182989061 7.224993 383 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 438881.8 0 566.1568050838798 7.232582 384 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 176234.88 0 549.1666816899316 7.24799 385 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 243.01747958499703 7.2602334 386 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 353.0719736718401 7.381283 387 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 109406.336 0 728.2101972558147 7.3987937 388 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 92177.65 0 665.2143682537479 7.400247 389 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 62610.3 0 331.11350343417365 7.46043 390 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 474174.56 0 154.06172597466596 7.46527 391 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 78041.04 0 711.219701545415 7.554122 392 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 665.2146918705007 7.555325 393 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 57738.637 0 728.210304049564 7.558983 394 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 665.2144782338838 7.6589665 395 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 154.06169743269285 7.675626 396 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 131.08221250719097 7.6823187 397 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 521.3273246910464 7.6840444 398 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 69868.01 0 173.10395175344638 7.6845536 399 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 86706.54 0 154.0616812406937 7.8202085 400 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 113380.83 0 145.0977860469393 7.8258553 401 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 195.0503885530922 7.8264165 402 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 165.0398028737673 7.828483 403 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 112197.03 0 171.00600177800553 7.8455634 404 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 171.00592826118296 7.9485 405 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 154.06166983247007 7.98075 406 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 195.05045159730776 7.9821835 407 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 131.08210329472166 7.9839334 408 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 333.0587423397049 8.207429 409 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 158.97797888260817 9.841453 410 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 0.0 0 289.9483832120276 9.841567 411 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML 77106.445 0 272.9585951265392 9.841882 1 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 58113.215 0 93.03385290447436 1.3726889 2 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 342.2282842200452 1.3893917 3 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 774.5279624210174 1.4256333 4 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 414.1218492977562 1.4882333 5 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 314.1968815601056 1.4933132 6 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 201.0761274655518 1.533225 7 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 217.10738466723123 1.5635065 8 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 93.04496836540216 1.59925 9 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 272.1496694202024 1.62595 10 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 50486.69 0 802.5603771415259 1.6640555 11 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 178.05023404461056 1.6760334 12 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 188.94898253557048 1.7026334 13 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 204.12365316668223 1.7026334 14 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 104517.81 0 293.17860481195504 1.708019 15 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 776.5433957777306 1.751811 16 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 63161.582 0 774.5288730138618 1.76045 17 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 88720.22 0 309.1736714811531 1.7619792 18 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 353.1994786176988 1.798662 19 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 202.1078766798916 1.80035 20 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 397.22625990072027 1.8235583 21 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 171.06571659654227 1.827863 22 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 127.07591121213706 1.8292907 23 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 258.1340381334496 1.8461833 24 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 316.2126434271194 1.8711833 25 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 89.0235512311677 1.8853583 26 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 244.11833914250303 1.8909167 27 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 194.08163019411083 1.92555 28 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 57129.82 0 111.0194360568886 1.9417667 29 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 167.03440596891804 1.9441166 30 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 216.1234363986188 1.9783 31 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 59347.336 0 216.94379145047068 2.0031228 32 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 360.23881181531686 2.00415 33 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 99.00803117810024 2.0057502 34 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 466058.84 0 117.01877083220012 2.0078368 35 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 109518.95 0 73.0285860830186 2.0082808 36 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 530.2785104120919 2.0152998 37 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 318.02785704601115 2.0189166 38 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 437.21358469950616 2.0189166 39 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 244683.66 0 218.1031052887504 2.024331 40 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 88.03967650136562 2.0265 41 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 261052.45 0 742.5387858229274 2.043875 42 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 597619.3 0 716.522749977004 2.0675 43 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 89.02355611082942 2.0678582 44 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 195.06571730541225 2.0697334 45 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 360.2388161045092 2.0765834 46 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 230.10263502127668 2.0879667 47 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 702.5076365968943 2.0886 48 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 105128.71 0 246.99120909765568 2.0927222 49 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 243.13437202348544 2.0970666 50 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 1035876.94 0 688.4919999607429 2.1007051 51 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 142220.9 0 660.4605446622179 2.128822 52 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 201.07597957430923 2.177861 53 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 222.0763033454145 2.181225 54 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 153.01862959637714 2.22745 55 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 93413.12 0 403.1241872745805 2.2475874 56 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 151.0395460357251 2.2482166 57 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 349.06927581920576 2.2494724 58 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 206381.88 0 359.09750936117143 2.2495408 59 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 64703.625 0 89.02367397714102 2.2499542 60 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 260.1495206114146 2.2600918 61 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 208.06051489951616 2.2895334 62 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 229.1184198004067 2.297429 63 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 285.0608566468509 2.3280666 64 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 206.04552680170684 2.3593166 65 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 241.0350635576058 2.3800666 66 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 566.3457974096141 2.42135 67 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 362.2442056064621 2.4242666 68 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 160.03983663046114 2.44055 69 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 161.0449419243981 2.48759 70 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 336.22903204045184 2.5179167 71 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 151.0606203206697 2.5271666 72 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 459.1136845440237 2.5279167 73 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 155157.88 0 687.5440678824715 2.5327036 74 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 165.0188311080946 2.5618834 75 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 206276.03 0 659.5124284446764 2.5621688 76 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 631.4810305663648 2.60535 77 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 246.134080266216 2.6086943 78 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 229.0710375000464 2.619675 79 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 215.1030108191725 2.6454399 80 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 365.1633183905246 2.64855 81 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 187.0411037236024 2.6628668 82 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 115.02029022867096 2.6806 83 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 463.10876429689966 2.6806 84 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 194.04522665628 2.7020664 85 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 191.07267377279115 2.7035 86 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 72325.21 0 189.05612915029147 2.703886 87 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 65991.31 0 205.049599795934 2.7047243 88 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 478.29335782667874 2.7097 89 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 245.04647653186083 2.7155416 90 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 217.0328329782935 2.7182 91 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 261.04062605310975 2.7182 92 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 173.02576793846893 2.7202168 93 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 59258.453 0 205.0139200348532 2.7220578 94 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 246.0437565312131 2.7296085 95 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 203.0331934649314 2.7343335 96 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 247.03641790824423 2.7391334 97 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 120876.54 0 478.29358068357527 2.7805529 98 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 450.26276122576456 2.7924333 99 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 98375.58 0 450.2623329483288 2.8485205 100 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 905.5637132131336 2.8517332 101 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 335505.56 0 452.2774502174688 2.8579333 102 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 453.2809182724429 2.8586445 103 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 305.0683101668419 2.86956 104 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 187.04126450765307 2.8698082 105 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 417.1031486293373 2.8980167 106 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 553.1767620418868 2.8980167 107 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 509.1503466515295 2.902425 108 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 513.2188948283712 2.9071333 109 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 463.1090300636153 2.911446 110 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 379.1606913172725 2.9115334 111 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 424.24667016223407 2.9308333 112 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 287.16088355963427 2.942675 113 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 403592.56 0 151.02565353793702 2.960931 114 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 89.023644609207 2.96735 115 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 135.03064799851376 2.9680166 116 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 299.0763710941055 2.999043 117 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 305.0693976881394 3.0389333 118 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 279.03816479439735 3.069239 119 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 126286.664 0 495.11752787468345 3.0693083 120 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 83083.52 0 200.0559653389267 3.069594 121 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 440914.66 0 243.0615161475912 3.0696342 122 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 254.0665093188214 3.081675 123 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 441.161109644883 3.1197777 124 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 386.14498918221614 3.1430666 125 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 423.0946742362405 3.1635807 126 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 805.487208410837 3.1671333 127 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 808.5054019042612 3.1671333 128 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 431.1189294135333 3.212346 129 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 494.1149903010408 3.2123778 130 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 863.2466333941438 3.212346 131 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 125614.766 0 201.08767626698824 3.2730463 132 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 56417.035 0 181.07116378738937 3.2767832 133 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 379.16044685174256 3.2937167 134 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 425.1659360092301 3.2939835 135 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 415.13719069716257 3.2972667 136 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 442.155774968465 3.2983918 137 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 508.2029935900176 3.3033278 138 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 233.0118147563065 3.30885 139 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 381470.47 0 128.0347547953409 3.3096147 140 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 227.95989955231545 3.3166084 141 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 279.0592001778712 3.3235333 142 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 52623.56 0 338.10879131481295 3.3376334 143 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 61436.953 0 427.12655414683854 3.3376334 144 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 510.1829772658847 3.34115 145 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 428.11891319497687 3.3887832 146 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 283.0844953165966 3.3931668 147 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 299.076537947216 3.3932598 148 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 188.0558698558908 3.4127185 149 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 417.1031192578657 3.4173584 150 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 157.0137208641791 3.4216666 151 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 175.02426445945224 3.4216666 152 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 128.03483206810057 3.4975834 153 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 389.107928268466 3.4981833 154 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 181.0711946932322 3.499129 155 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 167.07076991550073 3.5078166 156 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 229.07116449741457 3.5078166 157 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 81754.12 0 224.05584246171915 3.5101979 158 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 194.04517579040763 3.5137749 159 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 323.980758793017 3.5185165 160 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 417.1031244283464 3.5503209 161 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 243.0504114435401 3.63265 162 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 265.08267086505225 3.6427999 163 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 199.06057341944896 3.688 164 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 87471.14 0 356.134749942328 3.703332 165 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 88623.83 0 419.1298477158531 3.7040455 166 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 194.08204788413832 3.7056668 167 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 535.153498026724 3.7377152 168 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 323460.12 0 267.0728731788562 3.7380428 169 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 82132.695 0 460.0941949935822 3.7703612 170 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 145249.02 0 597.3036309634889 3.795014 171 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 98584.836 0 595.2880331927124 3.8294923 172 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 569.272570164922 3.881628 173 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 443.1039304657232 3.904469 174 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 219194.89 0 460.0941466113717 3.9059274 175 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 609.1454009958121 3.9169166 176 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 380.1555981491749 3.9310918 177 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 50817.258 0 460.0942179014989 3.9996758 178 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 165151.27 0 174.04027048930095 4.0048795 179 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 68954.3 0 164.0712777998749 4.019053 180 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 267.07236610771326 4.021375 181 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 243.06154493732188 4.062987 182 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 53438.18 0 130.08675740473896 4.075868 183 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 438.1249847087367 4.075875 184 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 255.0538490124228 4.1011667 185 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 610.1254175638578 4.1743746 186 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 130.08674229975747 4.2527947 187 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 438.12520688369233 4.313937 188 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 157.03625348981768 4.3502917 189 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 543.1574238804784 4.3728666 190 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 151.0607771303458 4.3767834 191 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 90968.36 0 335.04897978800653 4.3777795 192 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 811050.2 0 167.0207355171104 4.3789964 193 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 421.1347911525265 4.3812447 194 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 438.124941265219 4.395296 195 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 203.082047588306 4.41425 196 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 95721.24 0 282.0836542603278 4.5568447 197 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 51015.324 0 628.1710371025724 4.55798 198 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 144.04477615488602 4.564833 199 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 188.034766919081 4.564833 200 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 524.1255615283701 4.6126666 201 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 367.104630367268 4.635317 202 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 299.0802359566191 4.64185 203 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 779.2247774857598 4.667946 204 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 452.10414488542216 4.6702 205 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 817.1808010064028 4.6849084 206 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 389.1080301124976 4.6864667 207 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 569.1715496717898 4.696128 208 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 367.1047812773522 4.6997166 209 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 301856.1 0 432.0990540283325 4.797717 210 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 116.07132090455258 4.821183 211 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 217.08229331545024 4.82535 212 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 129.01873958262698 4.8818 213 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 194.9962343263711 4.8943667 214 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 114.05555697742427 4.9093885 215 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 68070.5 0 210.08781467637203 4.9962997 216 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 73981.82 0 468.1103896237901 5.018025 217 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 432.0989539075161 5.0298166 218 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 813699.2 0 181.0713761240362 5.0403976 219 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 55094.87 0 128.95890600082953 5.1037683 220 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 296.8814541278168 5.105021 221 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 380.84315282991287 5.1079917 222 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 99279.234 0 181.071272950755 5.1460285 223 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 101.02381629960816 5.1541 224 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 163.06056434534895 5.1541 225 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 110603.06 0 499.0703057881917 5.163438 226 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 443.1038964799561 5.165685 227 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 122385.21 0 369.1029343285206 5.1687927 228 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 322025.72 0 341.1079301552493 5.1698203 229 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 1693052.5 0 415.1087980866248 5.1698203 230 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 459.13419593571984 5.17145 231 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 460.09400170064487 5.1739388 232 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 457.1193800823472 5.174943 233 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 163366.92 0 432.0990695220266 5.181081 234 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 166.01720005515804 5.214 235 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 65022.96 0 432.0989800342522 5.3009253 236 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 53557.06 0 415.1086843110904 5.315473 237 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 405.0798284861695 5.3195 238 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 451.0281055733943 5.331683 239 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 382.0996065037789 5.385739 240 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 269693.62 0 432.09896431613015 5.3880396 241 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 103773.5 0 415.1085318941266 5.389007 242 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 145.01354159582584 5.389917 243 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 515.1248383471799 5.3930335 244 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 90724.14 0 405.0796264643786 5.393487 245 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 92189.91 0 424.03098378026766 5.456037 246 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 88177.84 0 367.1047873594568 5.4570303 247 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 412.0307193028139 5.458311 248 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 136228.06 0 176.05600561949558 5.4596334 249 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 101.02411049907369 5.461233 250 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 116832.61 0 187.1083709787572 5.461539 251 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 405.1022514486804 5.463267 252 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 129.01861385255603 5.4634666 253 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 147.0294478207034 5.464097 254 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 231393.8 0 305.0172190765626 5.476954 255 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 100412.414 0 111.0194704191449 5.477995 256 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 146622.61 0 217.0824040021517 5.5011115 257 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 277.05565971217914 5.5685334 258 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 196.0720240373712 5.58455 259 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 551.1614849862333 5.6060915 260 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 283.10253817634674 5.7462 261 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 54712.645 0 156.02736476117448 5.758633 262 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 248.9600051669244 5.7871222 263 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 118.05035977699346 5.8386555 264 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 259.0907503601495 5.8413315 265 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 460.1664679318693 5.8587503 266 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 265.0472798894507 5.858887 267 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 271.00329828652764 5.8667593 268 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 276662.0 0 124.00674032888124 5.8679786 269 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 130325.14 0 466.1233082645099 5.868708 270 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 118.05014916974848 5.9411335 271 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 351.066157153057 5.955333 272 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 141264.69 0 164.03809929373168 5.9858584 273 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 347.07438732956035 6.0060782 274 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 223.04523296205983 6.0157833 275 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 147.02954730833488 6.016025 276 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 196.06061180570688 6.016033 277 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 203.1031963567522 6.0169616 278 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 573.1586869662842 6.0181003 279 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 153.86829758795886 6.0183167 280 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 104486.69 0 160.8416075252179 6.020707 281 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 111598.7 0 162.83880315898347 6.0247035 282 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 91537.13 0 567.1328594557078 6.026056 283 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 164.83651664061142 6.028525 284 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 170270.9 0 341.1080752584267 6.030564 285 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 369.1302497421924 6.031767 286 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 191823.06 0 380.0857909089604 6.0329294 287 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 2998796.8 0 377.0853877019091 6.0334697 288 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 199635.42 0 195.81007549199188 6.043524 289 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 85.0288472850776 6.044833 290 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 351.08799735586126 6.0465736 291 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 349.0902138225881 6.0477557 292 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 244476.3 0 197.8074497387195 6.054078 293 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 128067.04 0 199.80439376830344 6.0627675 294 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 255.8216864715141 6.079925 295 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 257.81861162176403 6.079925 296 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 281.08741257016163 6.1120167 297 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 567.1324168546579 6.1245666 298 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 236811.38 0 377.0854177368436 6.134367 299 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 61226.766 0 127.05073512031956 6.165503 300 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 264845.4 0 145.06137850885108 6.168286 301 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 83495.11 0 313.1124922125512 6.1688643 302 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 815337.8 0 487.1775502317557 6.17469 303 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 87896.5 0 341.10795982306786 6.1759744 304 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 85.02886994359115 6.17615 305 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 56964.496 0 161.04505752833575 6.177401 306 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 179.05560208522587 6.178625 307 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 191398.14 0 404.1037571904742 6.1822033 308 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 683.2247494213096 6.185875 309 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 533.1351576222935 6.1863747 310 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 337.076704021333 6.2700667 311 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 285.0815198256679 6.274747 312 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 131.04576483269466 6.279371 313 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 473.1622238214856 6.294035 314 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 230.1140651678797 6.3078 315 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 85.02880262464393 6.31735 316 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 231.05892086463408 6.3180666 317 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 314.1243286941705 6.3269167 318 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 182349.73 0 446.151054532339 6.3333964 319 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 369.1298211998426 6.3335333 320 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 76782.13 0 341.10795574462634 6.3776975 321 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 69692.01 0 161.04510410260008 6.3806043 322 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 683.2247429059362 6.3815837 323 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 404.1038655823881 6.382323 324 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 116065.98 0 377.0853176704404 6.3833137 325 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 221.06585296417336 6.3838334 326 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 179.05543279200992 6.383917 327 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 102.05554943706493 6.4241996 328 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 128.0348326127384 6.425373 329 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 852.2605059727284 6.42592 330 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 843331.2 0 146.0453959072269 6.429987 331 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 541.1171038177423 6.431733 332 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 223.04526313136947 6.4318833 333 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 1236568.2 0 488.1618629347416 6.4328423 334 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 179.05555411847763 6.4345336 335 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 511.1430137507941 6.439658 336 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 533.1351540532298 6.439658 337 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 77760.836 0 467.1167526783238 6.439775 338 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 296442.44 0 377.0853413433481 6.4412994 339 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 431.1042339825117 6.4426746 340 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 60954.227 0 719.2019545797923 6.442898 341 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 2399296.8 0 341.1080955681797 6.457898 342 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 7717311.5 0 387.1136618915369 6.457898 343 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 101230.586 0 683.2249539098053 6.4584427 344 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 53627.87 0 390.1218790278056 6.4588284 345 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 180996.83 0 729.2302300017724 6.4595413 346 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 446.15107530207285 6.461315 347 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 473.16252597984845 6.473417 348 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 447.1374213141028 6.47365 349 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 857808.3 0 404.1039498471663 6.4754333 350 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 179.05550223928677 6.5288167 351 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 377.0852297507381 6.6390166 352 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 214.04814591062063 6.6682 353 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 62248.586 0 306.07624420267746 6.683367 354 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 165.03984875364597 6.7459664 355 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 179.05550389368108 6.7470417 356 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 404.1037504816566 6.7487497 357 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 341.10784945223566 6.7492 358 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 377.0850790905292 6.7492 359 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 566.1565289752311 6.7732 360 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 243.01754702128204 6.8341208 361 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 71470.586 0 549.1665078936674 6.8809843 362 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 234405.23 0 566.1567208219295 6.8828635 363 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 503.16101714867375 6.8843307 364 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 669.2088742149062 6.8851833 365 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 337.077016568431 6.8977365 366 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 566.156561804381 6.9667916 367 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 267.0713044932404 7.0074997 368 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 243.0175912669956 7.0202 369 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 54775.773 0 539.1377776447937 7.053332 370 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 1007.3307357121904 7.0553904 371 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 203202.64 0 549.1666558285273 7.055967 372 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 111754.08 0 503.1611043196567 7.056547 373 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 603767.5 0 566.1567883782691 7.056547 374 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 639.1984132458687 7.0575333 375 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 133540.69 0 376.10095579196246 7.0580783 376 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 636.1987491589397 7.0582223 377 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 669.2090822640757 7.059758 378 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 404.1037971182775 7.1490583 379 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 539.1376228314792 7.213836 380 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 341.10772029317184 7.2142 381 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 1007.3304722686656 7.2189083 382 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 81269.67 0 503.1611182989061 7.224993 383 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 351642.2 0 566.1568050838798 7.232582 384 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 130572.66 0 549.1666816899316 7.24799 385 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 243.01747958499703 7.2602334 386 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 353.0719736718401 7.381283 387 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 728.2101972558147 7.3987937 388 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 61845.766 0 665.2143682537479 7.400247 389 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 65647.445 0 331.11350343417365 7.46043 390 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 555587.0 0 154.06172597466596 7.46527 391 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 50840.22 0 711.219701545415 7.554122 392 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 665.2146918705007 7.555325 393 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 728.210304049564 7.558983 394 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 665.2144782338838 7.6589665 395 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 154.06169743269285 7.675626 396 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 131.08221250719097 7.6823187 397 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 521.3273246910464 7.6840444 398 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 82160.8 0 173.10395175344638 7.6845536 399 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 114334.05 0 154.0616812406937 7.8202085 400 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 141387.75 0 145.0977860469393 7.8258553 401 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 195.0503885530922 7.8264165 402 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 165.0398028737673 7.828483 403 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 171.00600177800553 7.8455634 404 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 81097.97 0 171.00592826118296 7.9485 405 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 90883.07 0 154.06166983247007 7.98075 406 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 195.05045159730776 7.9821835 407 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 105964.164 0 131.08210329472166 7.9839334 408 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 333.0587423397049 8.207429 409 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 158.97797888260817 9.841453 410 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 0.0 0 289.9483832120276 9.841567 411 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML 75772.5 0 272.9585951265392 9.841882 1 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 74241.53 0 93.03385290447436 1.3726889 2 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 342.2282842200452 1.3893917 3 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 774.5279624210174 1.4256333 4 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 414.1218492977562 1.4882333 5 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 314.1968815601056 1.4933132 6 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 201.0761274655518 1.533225 7 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 94641.59 0 217.10738466723123 1.5635065 8 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 93.04496836540216 1.59925 9 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 272.1496694202024 1.62595 10 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 802.5603771415259 1.6640555 11 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 178.05023404461056 1.6760334 12 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 188.94898253557048 1.7026334 13 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 204.12365316668223 1.7026334 14 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 52944.69 0 293.17860481195504 1.708019 15 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 776.5433957777306 1.751811 16 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 55565.49 0 774.5288730138618 1.76045 17 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 309.1736714811531 1.7619792 18 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 353.1994786176988 1.798662 19 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 202.1078766798916 1.80035 20 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 397.22625990072027 1.8235583 21 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 80756.086 0 171.06571659654227 1.827863 22 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 52344.016 0 127.07591121213706 1.8292907 23 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 258.1340381334496 1.8461833 24 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 316.2126434271194 1.8711833 25 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 89.0235512311677 1.8853583 26 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 244.11833914250303 1.8909167 27 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 194.08163019411083 1.92555 28 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 111.0194360568886 1.9417667 29 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 167.03440596891804 1.9441166 30 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 216.1234363986188 1.9783 31 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 216.94379145047068 2.0031228 32 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 360.23881181531686 2.00415 33 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 99.00803117810024 2.0057502 34 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 387770.03 0 117.01877083220012 2.0078368 35 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 90030.23 0 73.0285860830186 2.0082808 36 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 530.2785104120919 2.0152998 37 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 318.02785704601115 2.0189166 38 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 437.21358469950616 2.0189166 39 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 117045.46 0 218.1031052887504 2.024331 40 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 88.03967650136562 2.0265 41 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 322092.75 0 742.5387858229274 2.043875 42 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 713368.94 0 716.522749977004 2.0675 43 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 89.02355611082942 2.0678582 44 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 195.06571730541225 2.0697334 45 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 360.2388161045092 2.0765834 46 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 230.10263502127668 2.0879667 47 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 702.5076365968943 2.0886 48 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 91168.38 0 246.99120909765568 2.0927222 49 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 243.13437202348544 2.0970666 50 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 1253645.1 0 688.4919999607429 2.1007051 51 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 181893.55 0 660.4605446622179 2.128822 52 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 201.07597957430923 2.177861 53 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 222.0763033454145 2.181225 54 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 153.01862959637714 2.22745 55 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 138118.22 0 403.1241872745805 2.2475874 56 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 97039.51 0 151.0395460357251 2.2482166 57 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 98079.445 0 349.06927581920576 2.2494724 58 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 427457.0 0 359.09750936117143 2.2495408 59 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 87880.49 0 89.02367397714102 2.2499542 60 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 260.1495206114146 2.2600918 61 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 208.06051489951616 2.2895334 62 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 229.1184198004067 2.297429 63 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 285.0608566468509 2.3280666 64 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 206.04552680170684 2.3593166 65 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 241.0350635576058 2.3800666 66 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 566.3457974096141 2.42135 67 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 362.2442056064621 2.4242666 68 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 160.03983663046114 2.44055 69 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 64235.7 0 161.0449419243981 2.48759 70 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 336.22903204045184 2.5179167 71 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 151.0606203206697 2.5271666 72 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 459.1136845440237 2.5279167 73 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 173317.73 0 687.5440678824715 2.5327036 74 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 165.0188311080946 2.5618834 75 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 240754.78 0 659.5124284446764 2.5621688 76 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 631.4810305663648 2.60535 77 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 246.134080266216 2.6086943 78 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 229.0710375000464 2.619675 79 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 63589.52 0 215.1030108191725 2.6454399 80 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 365.1633183905246 2.64855 81 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 187.0411037236024 2.6628668 82 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 115.02029022867096 2.6806 83 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 463.10876429689966 2.6806 84 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 96748.98 0 194.04522665628 2.7020664 85 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 191.07267377279115 2.7035 86 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 104226.27 0 189.05612915029147 2.703886 87 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 76188.66 0 205.049599795934 2.7047243 88 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 73688.96 0 478.29335782667874 2.7097 89 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 245.04647653186083 2.7155416 90 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 217.0328329782935 2.7182 91 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 261.04062605310975 2.7182 92 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 173.02576793846893 2.7202168 93 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 56338.617 0 205.0139200348532 2.7220578 94 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 246.0437565312131 2.7296085 95 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 203.0331934649314 2.7343335 96 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 247.03641790824423 2.7391334 97 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 90014.1 0 478.29358068357527 2.7805529 98 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 450.26276122576456 2.7924333 99 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 58671.45 0 450.2623329483288 2.8485205 100 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 905.5637132131336 2.8517332 101 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 273940.38 0 452.2774502174688 2.8579333 102 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 453.2809182724429 2.8586445 103 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 305.0683101668419 2.86956 104 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 187.04126450765307 2.8698082 105 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 417.1031486293373 2.8980167 106 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 553.1767620418868 2.8980167 107 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 509.1503466515295 2.902425 108 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 513.2188948283712 2.9071333 109 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 463.1090300636153 2.911446 110 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 379.1606913172725 2.9115334 111 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 424.24667016223407 2.9308333 112 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 287.16088355963427 2.942675 113 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 130211.39 0 151.02565353793702 2.960931 114 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 89.023644609207 2.96735 115 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 135.03064799851376 2.9680166 116 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 133814.4 0 299.0763710941055 2.999043 117 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 305.0693976881394 3.0389333 118 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 279.03816479439735 3.069239 119 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 495.11752787468345 3.0693083 120 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 200.0559653389267 3.069594 121 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 191577.16 0 243.0615161475912 3.0696342 122 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 254.0665093188214 3.081675 123 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 441.161109644883 3.1197777 124 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 386.14498918221614 3.1430666 125 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 423.0946742362405 3.1635807 126 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 805.487208410837 3.1671333 127 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 808.5054019042612 3.1671333 128 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 431.1189294135333 3.212346 129 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 494.1149903010408 3.2123778 130 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 863.2466333941438 3.212346 131 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 138503.28 0 201.08767626698824 3.2730463 132 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 181.07116378738937 3.2767832 133 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 379.16044685174256 3.2937167 134 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 425.1659360092301 3.2939835 135 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 415.13719069716257 3.2972667 136 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 442.155774968465 3.2983918 137 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 508.2029935900176 3.3033278 138 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 233.0118147563065 3.30885 139 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 218004.34 0 128.0347547953409 3.3096147 140 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 227.95989955231545 3.3166084 141 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 279.0592001778712 3.3235333 142 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 338.10879131481295 3.3376334 143 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 427.12655414683854 3.3376334 144 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 510.1829772658847 3.34115 145 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 428.11891319497687 3.3887832 146 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 283.0844953165966 3.3931668 147 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 299.076537947216 3.3932598 148 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 188.0558698558908 3.4127185 149 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 417.1031192578657 3.4173584 150 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 157.0137208641791 3.4216666 151 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 175.02426445945224 3.4216666 152 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 128.03483206810057 3.4975834 153 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 389.107928268466 3.4981833 154 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 181.0711946932322 3.499129 155 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 167.07076991550073 3.5078166 156 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 229.07116449741457 3.5078166 157 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 649253.5 0 224.05584246171915 3.5101979 158 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 79404.17 0 194.04517579040763 3.5137749 159 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 88033.055 0 323.980758793017 3.5185165 160 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 417.1031244283464 3.5503209 161 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 243.0504114435401 3.63265 162 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 168870.67 0 265.08267086505225 3.6427999 163 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 199.06057341944896 3.688 164 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 120722.76 0 356.134749942328 3.703332 165 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 99836.37 0 419.1298477158531 3.7040455 166 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 194.08204788413832 3.7056668 167 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 535.153498026724 3.7377152 168 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 419364.72 0 267.0728731788562 3.7380428 169 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 117785.516 0 460.0941949935822 3.7703612 170 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 159859.28 0 597.3036309634889 3.795014 171 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 100018.375 0 595.2880331927124 3.8294923 172 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 569.272570164922 3.881628 173 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 104435.95 0 443.1039304657232 3.904469 174 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 290822.88 0 460.0941466113717 3.9059274 175 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 609.1454009958121 3.9169166 176 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 380.1555981491749 3.9310918 177 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 72986.66 0 460.0942179014989 3.9996758 178 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 147764.4 0 174.04027048930095 4.0048795 179 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 73496.04 0 164.0712777998749 4.019053 180 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 267.07236610771326 4.021375 181 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 243.06154493732188 4.062987 182 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 54700.66 0 130.08675740473896 4.075868 183 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 438.1249847087367 4.075875 184 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 255.0538490124228 4.1011667 185 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 610.1254175638578 4.1743746 186 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 130.08674229975747 4.2527947 187 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 438.12520688369233 4.313937 188 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 77030.06 0 157.03625348981768 4.3502917 189 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 543.1574238804784 4.3728666 190 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 151.0607771303458 4.3767834 191 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 153278.1 0 335.04897978800653 4.3777795 192 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 1024339.25 0 167.0207355171104 4.3789964 193 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 421.1347911525265 4.3812447 194 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 438.124941265219 4.395296 195 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 203.082047588306 4.41425 196 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 282.0836542603278 4.5568447 197 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 628.1710371025724 4.55798 198 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 144.04477615488602 4.564833 199 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 188.034766919081 4.564833 200 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 61122.152 0 524.1255615283701 4.6126666 201 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 367.104630367268 4.635317 202 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 299.0802359566191 4.64185 203 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 779.2247774857598 4.667946 204 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 452.10414488542216 4.6702 205 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 817.1808010064028 4.6849084 206 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 389.1080301124976 4.6864667 207 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 569.1715496717898 4.696128 208 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 367.1047812773522 4.6997166 209 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 352352.12 0 432.0990540283325 4.797717 210 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 116.07132090455258 4.821183 211 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 217.08229331545024 4.82535 212 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 129.01873958262698 4.8818 213 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 194.9962343263711 4.8943667 214 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 114742.04 0 114.05555697742427 4.9093885 215 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 210.08781467637203 4.9962997 216 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 468.1103896237901 5.018025 217 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 432.0989539075161 5.0298166 218 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 370108.12 0 181.0713761240362 5.0403976 219 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 57233.43 0 128.95890600082953 5.1037683 220 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 296.8814541278168 5.105021 221 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 380.84315282991287 5.1079917 222 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 181.071272950755 5.1460285 223 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 101.02381629960816 5.1541 224 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 163.06056434534895 5.1541 225 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 131737.28 0 499.0703057881917 5.163438 226 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 205580.92 0 443.1038964799561 5.165685 227 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 251456.88 0 369.1029343285206 5.1687927 228 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 665686.6 0 341.1079301552493 5.1698203 229 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 3541046.0 0 415.1087980866248 5.1698203 230 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 56938.21 0 459.13419593571984 5.17145 231 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 460.09400170064487 5.1739388 232 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 121739.47 0 457.1193800823472 5.174943 233 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 712321.7 0 432.0990695220266 5.181081 234 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 166.01720005515804 5.214 235 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 230390.23 0 432.0989800342522 5.3009253 236 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 100332.67 0 415.1086843110904 5.315473 237 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 52061.445 0 405.0798284861695 5.3195 238 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 59543.645 0 451.0281055733943 5.331683 239 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 382.0996065037789 5.385739 240 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 373275.75 0 432.09896431613015 5.3880396 241 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 141225.84 0 415.1085318941266 5.389007 242 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 145.01354159582584 5.389917 243 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 515.1248383471799 5.3930335 244 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 120568.96 0 405.0796264643786 5.393487 245 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 85631.86 0 424.03098378026766 5.456037 246 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 73972.055 0 367.1047873594568 5.4570303 247 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 412.0307193028139 5.458311 248 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 176.05600561949558 5.4596334 249 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 101.02411049907369 5.461233 250 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 89675.875 0 187.1083709787572 5.461539 251 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 405.1022514486804 5.463267 252 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 129.01861385255603 5.4634666 253 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 52183.69 0 147.0294478207034 5.464097 254 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 199515.45 0 305.0172190765626 5.476954 255 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 86164.29 0 111.0194704191449 5.477995 256 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 93161.44 0 217.0824040021517 5.5011115 257 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 277.05565971217914 5.5685334 258 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 196.0720240373712 5.58455 259 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 551.1614849862333 5.6060915 260 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 283.10253817634674 5.7462 261 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 156.02736476117448 5.758633 262 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 60210.88 0 248.9600051669244 5.7871222 263 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 118.05035977699346 5.8386555 264 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 259.0907503601495 5.8413315 265 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 460.1664679318693 5.8587503 266 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 265.0472798894507 5.858887 267 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 115163.15 0 271.00329828652764 5.8667593 268 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 311101.97 0 124.00674032888124 5.8679786 269 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 466.1233082645099 5.868708 270 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 118.05014916974848 5.9411335 271 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 351.066157153057 5.955333 272 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 286905.5 0 164.03809929373168 5.9858584 273 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 347.07438732956035 6.0060782 274 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 223.04523296205983 6.0157833 275 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 51499.062 0 147.02954730833488 6.016025 276 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 196.06061180570688 6.016033 277 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 51801.062 0 203.1031963567522 6.0169616 278 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 573.1586869662842 6.0181003 279 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 153.86829758795886 6.0183167 280 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 110173.7 0 160.8416075252179 6.020707 281 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 115242.625 0 162.83880315898347 6.0247035 282 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 203064.64 0 567.1328594557078 6.026056 283 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 50110.9 0 164.83651664061142 6.028525 284 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 106348.64 0 341.1080752584267 6.030564 285 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 369.1302497421924 6.031767 286 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 126815.71 0 380.0857909089604 6.0329294 287 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 1960749.8 0 377.0853877019091 6.0334697 288 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 195.81007549199188 6.043524 289 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 85.0288472850776 6.044833 290 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 351.08799735586126 6.0465736 291 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 349.0902138225881 6.0477557 292 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 197.8074497387195 6.054078 293 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 199.80439376830344 6.0627675 294 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 255.8216864715141 6.079925 295 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 257.81861162176403 6.079925 296 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 281.08741257016163 6.1120167 297 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 567.1324168546579 6.1245666 298 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 234335.3 0 377.0854177368436 6.134367 299 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 84163.54 0 127.05073512031956 6.165503 300 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 357708.94 0 145.06137850885108 6.168286 301 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 88106.06 0 313.1124922125512 6.1688643 302 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 1059474.9 0 487.1775502317557 6.17469 303 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 110647.4 0 341.10795982306786 6.1759744 304 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 85.02886994359115 6.17615 305 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 72163.055 0 161.04505752833575 6.177401 306 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 179.05560208522587 6.178625 307 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 192810.22 0 404.1037571904742 6.1822033 308 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 683.2247494213096 6.185875 309 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 533.1351576222935 6.1863747 310 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 337.076704021333 6.2700667 311 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 285.0815198256679 6.274747 312 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 131.04576483269466 6.279371 313 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 473.1622238214856 6.294035 314 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 230.1140651678797 6.3078 315 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 85.02880262464393 6.31735 316 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 231.05892086463408 6.3180666 317 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 314.1243286941705 6.3269167 318 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 216108.05 0 446.151054532339 6.3333964 319 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 369.1298211998426 6.3335333 320 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 102282.164 0 341.10795574462634 6.3776975 321 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 93513.664 0 161.04510410260008 6.3806043 322 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 154731.86 0 683.2247429059362 6.3815837 323 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 404.1038655823881 6.382323 324 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 377.0853176704404 6.3833137 325 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 221.06585296417336 6.3838334 326 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 179.05543279200992 6.383917 327 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 102.05554943706493 6.4241996 328 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 71311.18 0 128.0348326127384 6.425373 329 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 852.2605059727284 6.42592 330 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 649983.7 0 146.0453959072269 6.429987 331 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 74177.92 0 541.1171038177423 6.431733 332 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 223.04526313136947 6.4318833 333 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 984918.06 0 488.1618629347416 6.4328423 334 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 72866.01 0 179.05555411847763 6.4345336 335 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 511.1430137507941 6.439658 336 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 533.1351540532298 6.439658 337 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 467.1167526783238 6.439775 338 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 270145.62 0 377.0853413433481 6.4412994 339 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 431.1042339825117 6.4426746 340 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 719.2019545797923 6.442898 341 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 4345721.0 0 341.1080955681797 6.457898 342 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 12520366.0 0 387.1136618915369 6.457898 343 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 177239.94 0 683.2249539098053 6.4584427 344 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 108079.13 0 390.1218790278056 6.4588284 345 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 329672.0 0 729.2302300017724 6.4595413 346 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 70542.164 0 446.15107530207285 6.461315 347 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 473.16252597984845 6.473417 348 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 447.1374213141028 6.47365 349 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 784233.44 0 404.1039498471663 6.4754333 350 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 179.05550223928677 6.5288167 351 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 377.0852297507381 6.6390166 352 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 214.04814591062063 6.6682 353 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 306.07624420267746 6.683367 354 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 165.03984875364597 6.7459664 355 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 179.05550389368108 6.7470417 356 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 404.1037504816566 6.7487497 357 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 341.10784945223566 6.7492 358 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 377.0850790905292 6.7492 359 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 566.1565289752311 6.7732 360 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 243.01754702128204 6.8341208 361 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 107479.06 0 549.1665078936674 6.8809843 362 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 320297.2 0 566.1567208219295 6.8828635 363 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 65087.18 0 503.16101714867375 6.8843307 364 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 669.2088742149062 6.8851833 365 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 55586.76 0 337.077016568431 6.8977365 366 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 566.156561804381 6.9667916 367 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 267.0713044932404 7.0074997 368 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 243.0175912669956 7.0202 369 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 56688.26 0 539.1377776447937 7.053332 370 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 95809.26 0 1007.3307357121904 7.0553904 371 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 323905.12 0 549.1666558285273 7.055967 372 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 168365.98 0 503.1611043196567 7.056547 373 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 726259.06 0 566.1567883782691 7.056547 374 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 639.1984132458687 7.0575333 375 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 154893.7 0 376.10095579196246 7.0580783 376 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 636.1987491589397 7.0582223 377 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 669.2090822640757 7.059758 378 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 63064.777 0 404.1037971182775 7.1490583 379 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 539.1376228314792 7.213836 380 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 341.10772029317184 7.2142 381 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 1007.3304722686656 7.2189083 382 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 117026.586 0 503.1611182989061 7.224993 383 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 440029.4 0 566.1568050838798 7.232582 384 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 206729.83 0 549.1666816899316 7.24799 385 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 243.01747958499703 7.2602334 386 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 353.0719736718401 7.381283 387 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 104854.5 0 728.2101972558147 7.3987937 388 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 98018.34 0 665.2143682537479 7.400247 389 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 70215.28 0 331.11350343417365 7.46043 390 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 670944.8 0 154.06172597466596 7.46527 391 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 77829.73 0 711.219701545415 7.554122 392 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 665.2146918705007 7.555325 393 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 728.210304049564 7.558983 394 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 665.2144782338838 7.6589665 395 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 154.06169743269285 7.675626 396 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 52378.87 0 131.08221250719097 7.6823187 397 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 521.3273246910464 7.6840444 398 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 87828.73 0 173.10395175344638 7.6845536 399 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 113049.28 0 154.0616812406937 7.8202085 400 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 140198.92 0 145.0977860469393 7.8258553 401 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 195.0503885530922 7.8264165 402 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 165.0398028737673 7.828483 403 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 154672.25 0 171.00600177800553 7.8455634 404 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 171.00592826118296 7.9485 405 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 154.06166983247007 7.98075 406 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 195.05045159730776 7.9821835 407 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 131.08210329472166 7.9839334 408 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 333.0587423397049 8.207429 409 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 53002.887 0 158.97797888260817 9.841453 410 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 0.0 0 289.9483832120276 9.841567 411 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML 88648.945 0 272.9585951265392 9.841882 1 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 93.03385290447436 1.3726889 2 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 342.2282842200452 1.3893917 3 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 774.5279624210174 1.4256333 4 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 414.1218492977562 1.4882333 5 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 314.1968815601056 1.4933132 6 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 201.0761274655518 1.533225 7 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 217.10738466723123 1.5635065 8 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 93.04496836540216 1.59925 9 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 272.1496694202024 1.62595 10 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 802.5603771415259 1.6640555 11 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 178.05023404461056 1.6760334 12 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 188.94898253557048 1.7026334 13 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 204.12365316668223 1.7026334 14 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 108709.04 0 293.17860481195504 1.708019 15 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 50917.33 0 776.5433957777306 1.751811 16 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 57457.33 0 774.5288730138618 1.76045 17 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 161652.2 0 309.1736714811531 1.7619792 18 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 97578.5 0 353.1994786176988 1.798662 19 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 202.1078766798916 1.80035 20 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 53630.45 0 397.22625990072027 1.8235583 21 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 111011.945 0 171.06571659654227 1.827863 22 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 72306.375 0 127.07591121213706 1.8292907 23 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 258.1340381334496 1.8461833 24 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 316.2126434271194 1.8711833 25 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 89.0235512311677 1.8853583 26 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 244.11833914250303 1.8909167 27 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 194.08163019411083 1.92555 28 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 111.0194360568886 1.9417667 29 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 447724.88 0 167.03440596891804 1.9441166 30 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 216.1234363986188 1.9783 31 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 216.94379145047068 2.0031228 32 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 360.23881181531686 2.00415 33 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 99.00803117810024 2.0057502 34 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 345359.7 0 117.01877083220012 2.0078368 35 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 79744.17 0 73.0285860830186 2.0082808 36 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 530.2785104120919 2.0152998 37 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 318.02785704601115 2.0189166 38 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 437.21358469950616 2.0189166 39 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 78428.84 0 218.1031052887504 2.024331 40 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 88.03967650136562 2.0265 41 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 250505.88 0 742.5387858229274 2.043875 42 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 745057.8 0 716.522749977004 2.0675 43 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 89.02355611082942 2.0678582 44 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 195.06571730541225 2.0697334 45 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 360.2388161045092 2.0765834 46 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 230.10263502127668 2.0879667 47 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 702.5076365968943 2.0886 48 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 246.99120909765568 2.0927222 49 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 243.13437202348544 2.0970666 50 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 1153447.6 0 688.4919999607429 2.1007051 51 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 139719.08 0 660.4605446622179 2.128822 52 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 201.07597957430923 2.177861 53 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 222.0763033454145 2.181225 54 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 153.01862959637714 2.22745 55 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 403.1241872745805 2.2475874 56 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 151.0395460357251 2.2482166 57 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 349.06927581920576 2.2494724 58 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 184284.5 0 359.09750936117143 2.2495408 59 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 89.02367397714102 2.2499542 60 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 260.1495206114146 2.2600918 61 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 208.06051489951616 2.2895334 62 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 229.1184198004067 2.297429 63 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 285.0608566468509 2.3280666 64 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 206.04552680170684 2.3593166 65 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 241.0350635576058 2.3800666 66 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 71152.83 0 566.3457974096141 2.42135 67 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 362.2442056064621 2.4242666 68 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 160.03983663046114 2.44055 69 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 161.0449419243981 2.48759 70 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 336.22903204045184 2.5179167 71 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 151.0606203206697 2.5271666 72 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 459.1136845440237 2.5279167 73 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 135177.75 0 687.5440678824715 2.5327036 74 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 165.0188311080946 2.5618834 75 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 208700.3 0 659.5124284446764 2.5621688 76 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 631.4810305663648 2.60535 77 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 246.134080266216 2.6086943 78 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 229.0710375000464 2.619675 79 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 215.1030108191725 2.6454399 80 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 365.1633183905246 2.64855 81 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 187.0411037236024 2.6628668 82 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 115.02029022867096 2.6806 83 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 463.10876429689966 2.6806 84 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 194.04522665628 2.7020664 85 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 191.07267377279115 2.7035 86 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 189.05612915029147 2.703886 87 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 77877.33 0 205.049599795934 2.7047243 88 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 478.29335782667874 2.7097 89 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 245.04647653186083 2.7155416 90 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 217.0328329782935 2.7182 91 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 261.04062605310975 2.7182 92 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 173.02576793846893 2.7202168 93 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 61443.03 0 205.0139200348532 2.7220578 94 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 246.0437565312131 2.7296085 95 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 203.0331934649314 2.7343335 96 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 247.03641790824423 2.7391334 97 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 152393.06 0 478.29358068357527 2.7805529 98 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 103431.555 0 450.26276122576456 2.7924333 99 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 102982.86 0 450.2623329483288 2.8485205 100 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 51767.234 0 905.5637132131336 2.8517332 101 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 568798.75 0 452.2774502174688 2.8579333 102 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 453.2809182724429 2.8586445 103 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 305.0683101668419 2.86956 104 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 187.04126450765307 2.8698082 105 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 417.1031486293373 2.8980167 106 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 553.1767620418868 2.8980167 107 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 509.1503466515295 2.902425 108 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 513.2188948283712 2.9071333 109 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 463.1090300636153 2.911446 110 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 379.1606913172725 2.9115334 111 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 424.24667016223407 2.9308333 112 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 287.16088355963427 2.942675 113 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 151.02565353793702 2.960931 114 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 89.023644609207 2.96735 115 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 135.03064799851376 2.9680166 116 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 52022.9 0 299.0763710941055 2.999043 117 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 305.0693976881394 3.0389333 118 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 279.03816479439735 3.069239 119 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 495.11752787468345 3.0693083 120 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 200.0559653389267 3.069594 121 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 143656.56 0 243.0615161475912 3.0696342 122 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 254.0665093188214 3.081675 123 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 441.161109644883 3.1197777 124 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 386.14498918221614 3.1430666 125 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 59035.906 0 423.0946742362405 3.1635807 126 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 805.487208410837 3.1671333 127 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 808.5054019042612 3.1671333 128 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 431.1189294135333 3.212346 129 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 494.1149903010408 3.2123778 130 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 863.2466333941438 3.212346 131 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 63351.83 0 201.08767626698824 3.2730463 132 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 181.07116378738937 3.2767832 133 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 379.16044685174256 3.2937167 134 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 425.1659360092301 3.2939835 135 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 415.13719069716257 3.2972667 136 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 442.155774968465 3.2983918 137 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 508.2029935900176 3.3033278 138 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 233.0118147563065 3.30885 139 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 229989.64 0 128.0347547953409 3.3096147 140 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 227.95989955231545 3.3166084 141 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 279.0592001778712 3.3235333 142 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 338.10879131481295 3.3376334 143 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 427.12655414683854 3.3376334 144 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 510.1829772658847 3.34115 145 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 428.11891319497687 3.3887832 146 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 283.0844953165966 3.3931668 147 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 299.076537947216 3.3932598 148 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 188.0558698558908 3.4127185 149 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 417.1031192578657 3.4173584 150 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 157.0137208641791 3.4216666 151 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 175.02426445945224 3.4216666 152 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 128.03483206810057 3.4975834 153 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 389.107928268466 3.4981833 154 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 181.0711946932322 3.499129 155 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 167.07076991550073 3.5078166 156 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 229.07116449741457 3.5078166 157 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 233769.14 0 224.05584246171915 3.5101979 158 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 194.04517579040763 3.5137749 159 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 323.980758793017 3.5185165 160 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 417.1031244283464 3.5503209 161 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 243.0504114435401 3.63265 162 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 265.08267086505225 3.6427999 163 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 199.06057341944896 3.688 164 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 159721.14 0 356.134749942328 3.703332 165 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 128632.87 0 419.1298477158531 3.7040455 166 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 194.08204788413832 3.7056668 167 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 77286.78 0 535.153498026724 3.7377152 168 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 399893.3 0 267.0728731788562 3.7380428 169 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 93819.41 0 460.0941949935822 3.7703612 170 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 144639.38 0 597.3036309634889 3.795014 171 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 128493.05 0 595.2880331927124 3.8294923 172 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 569.272570164922 3.881628 173 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 73799.96 0 443.1039304657232 3.904469 174 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 220632.58 0 460.0941466113717 3.9059274 175 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 609.1454009958121 3.9169166 176 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 380.1555981491749 3.9310918 177 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 70491.4 0 460.0942179014989 3.9996758 178 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 119617.79 0 174.04027048930095 4.0048795 179 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 132414.66 0 164.0712777998749 4.019053 180 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 267.07236610771326 4.021375 181 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 53352.008 0 243.06154493732188 4.062987 182 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 107226.54 0 130.08675740473896 4.075868 183 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 438.1249847087367 4.075875 184 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 255.0538490124228 4.1011667 185 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 610.1254175638578 4.1743746 186 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 53295.973 0 130.08674229975747 4.2527947 187 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 438.12520688369233 4.313937 188 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 157.03625348981768 4.3502917 189 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 543.1574238804784 4.3728666 190 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 151.0607771303458 4.3767834 191 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 129102.78 0 335.04897978800653 4.3777795 192 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 872051.25 0 167.0207355171104 4.3789964 193 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 421.1347911525265 4.3812447 194 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 438.124941265219 4.395296 195 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 56955.004 0 203.082047588306 4.41425 196 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 58865.188 0 282.0836542603278 4.5568447 197 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 628.1710371025724 4.55798 198 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 144.04477615488602 4.564833 199 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 188.034766919081 4.564833 200 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 524.1255615283701 4.6126666 201 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 367.104630367268 4.635317 202 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 299.0802359566191 4.64185 203 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 779.2247774857598 4.667946 204 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 452.10414488542216 4.6702 205 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 817.1808010064028 4.6849084 206 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 389.1080301124976 4.6864667 207 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 569.1715496717898 4.696128 208 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 367.1047812773522 4.6997166 209 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 674837.8 0 432.0990540283325 4.797717 210 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 116.07132090455258 4.821183 211 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 217.08229331545024 4.82535 212 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 129.01873958262698 4.8818 213 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 194.9962343263711 4.8943667 214 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 146265.05 0 114.05555697742427 4.9093885 215 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 62054.617 0 210.08781467637203 4.9962997 216 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 468.1103896237901 5.018025 217 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 432.0989539075161 5.0298166 218 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 263396.03 0 181.0713761240362 5.0403976 219 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 128.95890600082953 5.1037683 220 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 296.8814541278168 5.105021 221 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 380.84315282991287 5.1079917 222 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 97212.7 0 181.071272950755 5.1460285 223 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 101.02381629960816 5.1541 224 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 163.06056434534895 5.1541 225 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 100102.4 0 499.0703057881917 5.163438 226 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 132713.55 0 443.1038964799561 5.165685 227 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 182068.5 0 369.1029343285206 5.1687927 228 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 476763.1 0 341.1079301552493 5.1698203 229 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 2464216.0 0 415.1087980866248 5.1698203 230 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 459.13419593571984 5.17145 231 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 460.09400170064487 5.1739388 232 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 457.1193800823472 5.174943 233 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 779318.3 0 432.0990695220266 5.181081 234 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 166.01720005515804 5.214 235 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 199133.02 0 432.0989800342522 5.3009253 236 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 79703.06 0 415.1086843110904 5.315473 237 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 405.0798284861695 5.3195 238 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 451.0281055733943 5.331683 239 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 382.0996065037789 5.385739 240 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 302314.53 0 432.09896431613015 5.3880396 241 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 113523.59 0 415.1085318941266 5.389007 242 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 145.01354159582584 5.389917 243 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 515.1248383471799 5.3930335 244 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 97718.25 0 405.0796264643786 5.393487 245 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 90852.67 0 424.03098378026766 5.456037 246 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 84847.8 0 367.1047873594568 5.4570303 247 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 412.0307193028139 5.458311 248 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 176.05600561949558 5.4596334 249 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 101.02411049907369 5.461233 250 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 157956.58 0 187.1083709787572 5.461539 251 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 405.1022514486804 5.463267 252 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 129.01861385255603 5.4634666 253 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 147.0294478207034 5.464097 254 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 281430.5 0 305.0172190765626 5.476954 255 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 119663.78 0 111.0194704191449 5.477995 256 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 217.0824040021517 5.5011115 257 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 277.05565971217914 5.5685334 258 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 86351.63 0 196.0720240373712 5.58455 259 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 551.1614849862333 5.6060915 260 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 283.10253817634674 5.7462 261 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 156.02736476117448 5.758633 262 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 248.9600051669244 5.7871222 263 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 70672.75 0 118.05035977699346 5.8386555 264 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 259.0907503601495 5.8413315 265 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 460.1664679318693 5.8587503 266 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 265.0472798894507 5.858887 267 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 131865.84 0 271.00329828652764 5.8667593 268 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 283448.88 0 124.00674032888124 5.8679786 269 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 466.1233082645099 5.868708 270 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 118.05014916974848 5.9411335 271 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 351.066157153057 5.955333 272 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 365764.72 0 164.03809929373168 5.9858584 273 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 347.07438732956035 6.0060782 274 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 223.04523296205983 6.0157833 275 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 147.02954730833488 6.016025 276 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 196.06061180570688 6.016033 277 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 203.1031963567522 6.0169616 278 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 573.1586869662842 6.0181003 279 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 153.86829758795886 6.0183167 280 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 109467.8 0 160.8416075252179 6.020707 281 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 112256.68 0 162.83880315898347 6.0247035 282 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 163289.6 0 567.1328594557078 6.026056 283 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 164.83651664061142 6.028525 284 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 106782.45 0 341.1080752584267 6.030564 285 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 369.1302497421924 6.031767 286 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 124753.31 0 380.0857909089604 6.0329294 287 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 1937188.9 0 377.0853877019091 6.0334697 288 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 185546.6 0 195.81007549199188 6.043524 289 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 85.0288472850776 6.044833 290 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 351.08799735586126 6.0465736 291 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 349.0902138225881 6.0477557 292 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 229801.73 0 197.8074497387195 6.054078 293 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 119198.625 0 199.80439376830344 6.0627675 294 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 255.8216864715141 6.079925 295 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 257.81861162176403 6.079925 296 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 281.08741257016163 6.1120167 297 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 59084.53 0 567.1324168546579 6.1245666 298 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 301654.4 0 377.0854177368436 6.134367 299 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 61373.082 0 127.05073512031956 6.165503 300 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 308146.1 0 145.06137850885108 6.168286 301 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 80547.83 0 313.1124922125512 6.1688643 302 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 1462005.2 0 487.1775502317557 6.17469 303 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 180963.3 0 341.10795982306786 6.1759744 304 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 85.02886994359115 6.17615 305 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 132530.78 0 161.04505752833575 6.177401 306 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 57094.848 0 179.05560208522587 6.178625 307 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 317486.2 0 404.1037571904742 6.1822033 308 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 81984.74 0 683.2247494213096 6.185875 309 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 533.1351576222935 6.1863747 310 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 337.076704021333 6.2700667 311 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 285.0815198256679 6.274747 312 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 131.04576483269466 6.279371 313 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 473.1622238214856 6.294035 314 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 230.1140651678797 6.3078 315 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 85.02880262464393 6.31735 316 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 64123.637 0 231.05892086463408 6.3180666 317 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 314.1243286941705 6.3269167 318 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 282644.78 0 446.151054532339 6.3333964 319 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 369.1298211998426 6.3335333 320 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 181595.67 0 341.10795574462634 6.3776975 321 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 172220.53 0 161.04510410260008 6.3806043 322 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 366616.3 0 683.2247429059362 6.3815837 323 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 404.1038655823881 6.382323 324 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 377.0853176704404 6.3833137 325 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 79908.766 0 221.06585296417336 6.3838334 326 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 82588.59 0 179.05543279200992 6.383917 327 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 102.05554943706493 6.4241996 328 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 61320.082 0 128.0348326127384 6.425373 329 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 852.2605059727284 6.42592 330 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 556948.44 0 146.0453959072269 6.429987 331 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 541.1171038177423 6.431733 332 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 223.04526313136947 6.4318833 333 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 812619.06 0 488.1618629347416 6.4328423 334 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 55518.723 0 179.05555411847763 6.4345336 335 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 511.1430137507941 6.439658 336 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 533.1351540532298 6.439658 337 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 467.1167526783238 6.439775 338 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 253596.23 0 377.0853413433481 6.4412994 339 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 431.1042339825117 6.4426746 340 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 54579.938 0 719.2019545797923 6.442898 341 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 3318189.0 0 341.1080955681797 6.457898 342 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 10121796.0 0 387.1136618915369 6.457898 343 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 135728.22 0 683.2249539098053 6.4584427 344 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 74555.625 0 390.1218790278056 6.4588284 345 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 251167.39 0 729.2302300017724 6.4595413 346 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 66118.84 0 446.15107530207285 6.461315 347 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 473.16252597984845 6.473417 348 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 447.1374213141028 6.47365 349 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 808400.5 0 404.1039498471663 6.4754333 350 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 179.05550223928677 6.5288167 351 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 377.0852297507381 6.6390166 352 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 214.04814591062063 6.6682 353 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 306.07624420267746 6.683367 354 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 165.03984875364597 6.7459664 355 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 179.05550389368108 6.7470417 356 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 404.1037504816566 6.7487497 357 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 341.10784945223566 6.7492 358 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 377.0850790905292 6.7492 359 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 566.1565289752311 6.7732 360 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 243.01754702128204 6.8341208 361 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 118340.87 0 549.1665078936674 6.8809843 362 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 331846.78 0 566.1567208219295 6.8828635 363 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 503.16101714867375 6.8843307 364 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 669.2088742149062 6.8851833 365 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 73720.57 0 337.077016568431 6.8977365 366 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 108585.75 0 566.156561804381 6.9667916 367 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 267.0713044932404 7.0074997 368 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 243.0175912669956 7.0202 369 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 55318.79 0 539.1377776447937 7.053332 370 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 115164.836 0 1007.3307357121904 7.0553904 371 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 277071.03 0 549.1666558285273 7.055967 372 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 210044.88 0 503.1611043196567 7.056547 373 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 746922.94 0 566.1567883782691 7.056547 374 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 639.1984132458687 7.0575333 375 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 166969.34 0 376.10095579196246 7.0580783 376 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 636.1987491589397 7.0582223 377 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 669.2090822640757 7.059758 378 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 404.1037971182775 7.1490583 379 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 62802.652 0 539.1376228314792 7.213836 380 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 73210.79 0 341.10772029317184 7.2142 381 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 78368.15 0 1007.3304722686656 7.2189083 382 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 247324.1 0 503.1611182989061 7.224993 383 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 616796.56 0 566.1568050838798 7.232582 384 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 170840.61 0 549.1666816899316 7.24799 385 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 243.01747958499703 7.2602334 386 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 353.0719736718401 7.381283 387 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 728.2101972558147 7.3987937 388 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 665.2143682537479 7.400247 389 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 67345.41 0 331.11350343417365 7.46043 390 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 628803.6 0 154.06172597466596 7.46527 391 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 711.219701545415 7.554122 392 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 665.2146918705007 7.555325 393 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 728.210304049564 7.558983 394 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 665.2144782338838 7.6589665 395 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 192150.53 0 154.06169743269285 7.675626 396 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 85445.52 0 131.08221250719097 7.6823187 397 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 62941.97 0 521.3273246910464 7.6840444 398 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 137982.14 0 173.10395175344638 7.6845536 399 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 181814.08 0 154.0616812406937 7.8202085 400 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 290988.8 0 145.0977860469393 7.8258553 401 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 195.0503885530922 7.8264165 402 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 165.0398028737673 7.828483 403 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 82967.51 0 171.00600177800553 7.8455634 404 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 171.00592826118296 7.9485 405 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 154.06166983247007 7.98075 406 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 195.05045159730776 7.9821835 407 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 131.08210329472166 7.9839334 408 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 333.0587423397049 8.207429 409 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 158.97797888260817 9.841453 410 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 0.0 0 289.9483832120276 9.841567 411 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML 64399.957 0 272.9585951265392 9.841882 1 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 57411.43 0 93.03385290447436 1.3726889 2 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 342.2282842200452 1.3893917 3 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 774.5279624210174 1.4256333 4 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 414.1218492977562 1.4882333 5 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 314.1968815601056 1.4933132 6 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 201.0761274655518 1.533225 7 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 182357.2 0 217.10738466723123 1.5635065 8 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 93.04496836540216 1.59925 9 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 272.1496694202024 1.62595 10 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 802.5603771415259 1.6640555 11 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 178.05023404461056 1.6760334 12 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 188.94898253557048 1.7026334 13 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 204.12365316668223 1.7026334 14 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 78880.51 0 293.17860481195504 1.708019 15 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 776.5433957777306 1.751811 16 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 73480.69 0 774.5288730138618 1.76045 17 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 54981.79 0 309.1736714811531 1.7619792 18 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 353.1994786176988 1.798662 19 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 202.1078766798916 1.80035 20 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 397.22625990072027 1.8235583 21 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 86875.51 0 171.06571659654227 1.827863 22 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 55824.75 0 127.07591121213706 1.8292907 23 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 258.1340381334496 1.8461833 24 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 316.2126434271194 1.8711833 25 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 89.0235512311677 1.8853583 26 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 244.11833914250303 1.8909167 27 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 194.08163019411083 1.92555 28 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 111.0194360568886 1.9417667 29 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 164482.7 0 167.03440596891804 1.9441166 30 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 216.1234363986188 1.9783 31 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 65573.734 0 216.94379145047068 2.0031228 32 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 360.23881181531686 2.00415 33 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 99.00803117810024 2.0057502 34 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 521353.2 0 117.01877083220012 2.0078368 35 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 115082.82 0 73.0285860830186 2.0082808 36 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 530.2785104120919 2.0152998 37 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 318.02785704601115 2.0189166 38 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 437.21358469950616 2.0189166 39 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 99565.54 0 218.1031052887504 2.024331 40 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 88.03967650136562 2.0265 41 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 231010.7 0 742.5387858229274 2.043875 42 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 552901.9 0 716.522749977004 2.0675 43 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 89.02355611082942 2.0678582 44 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 195.06571730541225 2.0697334 45 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 360.2388161045092 2.0765834 46 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 230.10263502127668 2.0879667 47 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 702.5076365968943 2.0886 48 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 86787.17 0 246.99120909765568 2.0927222 49 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 243.13437202348544 2.0970666 50 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 1406133.1 0 688.4919999607429 2.1007051 51 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 340666.47 0 660.4605446622179 2.128822 52 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 201.07597957430923 2.177861 53 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 222.0763033454145 2.181225 54 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 153.01862959637714 2.22745 55 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 403.1241872745805 2.2475874 56 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 151.0395460357251 2.2482166 57 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 349.06927581920576 2.2494724 58 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 293284.78 0 359.09750936117143 2.2495408 59 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 89.02367397714102 2.2499542 60 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 260.1495206114146 2.2600918 61 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 208.06051489951616 2.2895334 62 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 75464.19 0 229.1184198004067 2.297429 63 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 285.0608566468509 2.3280666 64 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 206.04552680170684 2.3593166 65 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 241.0350635576058 2.3800666 66 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 566.3457974096141 2.42135 67 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 362.2442056064621 2.4242666 68 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 160.03983663046114 2.44055 69 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 96108.69 0 161.0449419243981 2.48759 70 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 336.22903204045184 2.5179167 71 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 151.0606203206697 2.5271666 72 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 61896.324 0 459.1136845440237 2.5279167 73 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 113708.5 0 687.5440678824715 2.5327036 74 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 165.0188311080946 2.5618834 75 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 229498.14 0 659.5124284446764 2.5621688 76 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 631.4810305663648 2.60535 77 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 246.134080266216 2.6086943 78 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 229.0710375000464 2.619675 79 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 88528.2 0 215.1030108191725 2.6454399 80 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 365.1633183905246 2.64855 81 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 187.0411037236024 2.6628668 82 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 115.02029022867096 2.6806 83 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 463.10876429689966 2.6806 84 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 89856.984 0 194.04522665628 2.7020664 85 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 191.07267377279115 2.7035 86 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 189.05612915029147 2.703886 87 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 69368.79 0 205.049599795934 2.7047243 88 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 96880.66 0 478.29335782667874 2.7097 89 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 245.04647653186083 2.7155416 90 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 217.0328329782935 2.7182 91 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 261.04062605310975 2.7182 92 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 173.02576793846893 2.7202168 93 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 65755.95 0 205.0139200348532 2.7220578 94 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 246.0437565312131 2.7296085 95 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 203.0331934649314 2.7343335 96 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 247.03641790824423 2.7391334 97 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 95154.12 0 478.29358068357527 2.7805529 98 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 450.26276122576456 2.7924333 99 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 83150.54 0 450.2623329483288 2.8485205 100 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 905.5637132131336 2.8517332 101 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 287708.5 0 452.2774502174688 2.8579333 102 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 77341.484 0 453.2809182724429 2.8586445 103 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 56864.754 0 305.0683101668419 2.86956 104 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 187.04126450765307 2.8698082 105 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 417.1031486293373 2.8980167 106 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 553.1767620418868 2.8980167 107 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 509.1503466515295 2.902425 108 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 513.2188948283712 2.9071333 109 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 51234.777 0 463.1090300636153 2.911446 110 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 379.1606913172725 2.9115334 111 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 424.24667016223407 2.9308333 112 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 287.16088355963427 2.942675 113 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 98359.586 0 151.02565353793702 2.960931 114 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 89.023644609207 2.96735 115 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 135.03064799851376 2.9680166 116 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 74091.77 0 299.0763710941055 2.999043 117 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 305.0693976881394 3.0389333 118 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 279.03816479439735 3.069239 119 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 495.11752787468345 3.0693083 120 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 74356.75 0 200.0559653389267 3.069594 121 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 397599.84 0 243.0615161475912 3.0696342 122 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 254.0665093188214 3.081675 123 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 441.161109644883 3.1197777 124 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 386.14498918221614 3.1430666 125 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 213370.89 0 423.0946742362405 3.1635807 126 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 805.487208410837 3.1671333 127 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 808.5054019042612 3.1671333 128 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 920532.7 0 431.1189294135333 3.212346 129 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 54082.184 0 494.1149903010408 3.2123778 130 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 446544.8 0 863.2466333941438 3.212346 131 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 214579.66 0 201.08767626698824 3.2730463 132 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 181.07116378738937 3.2767832 133 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 379.16044685174256 3.2937167 134 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 425.1659360092301 3.2939835 135 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 415.13719069716257 3.2972667 136 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 442.155774968465 3.2983918 137 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 508.2029935900176 3.3033278 138 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 233.0118147563065 3.30885 139 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 361649.84 0 128.0347547953409 3.3096147 140 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 227.95989955231545 3.3166084 141 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 279.0592001778712 3.3235333 142 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 338.10879131481295 3.3376334 143 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 427.12655414683854 3.3376334 144 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 510.1829772658847 3.34115 145 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 428.11891319497687 3.3887832 146 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 283.0844953165966 3.3931668 147 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 299.076537947216 3.3932598 148 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 61404.473 0 188.0558698558908 3.4127185 149 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 127913.59 0 417.1031192578657 3.4173584 150 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 157.0137208641791 3.4216666 151 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 175.02426445945224 3.4216666 152 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 128.03483206810057 3.4975834 153 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 389.107928268466 3.4981833 154 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 77636.67 0 181.0711946932322 3.499129 155 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 167.07076991550073 3.5078166 156 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 229.07116449741457 3.5078166 157 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 607686.75 0 224.05584246171915 3.5101979 158 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 72659.76 0 194.04517579040763 3.5137749 159 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 54909.184 0 323.980758793017 3.5185165 160 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 71392.37 0 417.1031244283464 3.5503209 161 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 243.0504114435401 3.63265 162 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 159548.94 0 265.08267086505225 3.6427999 163 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 199.06057341944896 3.688 164 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 99952.2 0 356.134749942328 3.703332 165 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 86344.766 0 419.1298477158531 3.7040455 166 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 194.08204788413832 3.7056668 167 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 158213.56 0 535.153498026724 3.7377152 168 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 702762.3 0 267.0728731788562 3.7380428 169 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 460.0941949935822 3.7703612 170 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 195695.8 0 597.3036309634889 3.795014 171 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 101325.484 0 595.2880331927124 3.8294923 172 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 58573.03 0 569.272570164922 3.881628 173 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 443.1039304657232 3.904469 174 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 128195.74 0 460.0941466113717 3.9059274 175 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 609.1454009958121 3.9169166 176 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 380.1555981491749 3.9310918 177 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 460.0942179014989 3.9996758 178 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 164492.19 0 174.04027048930095 4.0048795 179 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 157304.64 0 164.0712777998749 4.019053 180 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 267.07236610771326 4.021375 181 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 243.06154493732188 4.062987 182 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 76546.586 0 130.08675740473896 4.075868 183 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 54709.95 0 438.1249847087367 4.075875 184 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 255.0538490124228 4.1011667 185 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 610.1254175638578 4.1743746 186 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 64037.74 0 130.08674229975747 4.2527947 187 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 187343.78 0 438.12520688369233 4.313937 188 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 132562.1 0 157.03625348981768 4.3502917 189 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 543.1574238804784 4.3728666 190 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 151.0607771303458 4.3767834 191 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 138504.2 0 335.04897978800653 4.3777795 192 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 976813.7 0 167.0207355171104 4.3789964 193 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 421.1347911525265 4.3812447 194 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 86592.19 0 438.124941265219 4.395296 195 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 203.082047588306 4.41425 196 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 110640.61 0 282.0836542603278 4.5568447 197 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 64912.465 0 628.1710371025724 4.55798 198 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 144.04477615488602 4.564833 199 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 188.034766919081 4.564833 200 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 524.1255615283701 4.6126666 201 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 367.104630367268 4.635317 202 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 299.0802359566191 4.64185 203 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 388919.2 0 779.2247774857598 4.667946 204 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 179810.84 0 452.10414488542216 4.6702 205 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 60292.543 0 817.1808010064028 4.6849084 206 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 796418.1 0 389.1080301124976 4.6864667 207 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 65061.2 0 569.1715496717898 4.696128 208 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 367.1047812773522 4.6997166 209 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 336193.22 0 432.0990540283325 4.797717 210 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 116.07132090455258 4.821183 211 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 217.08229331545024 4.82535 212 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 129.01873958262698 4.8818 213 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 194.9962343263711 4.8943667 214 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 128870.09 0 114.05555697742427 4.9093885 215 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 210.08781467637203 4.9962997 216 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 75625.38 0 468.1103896237901 5.018025 217 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 432.0989539075161 5.0298166 218 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 329634.4 0 181.0713761240362 5.0403976 219 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 85232.11 0 128.95890600082953 5.1037683 220 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 67326.61 0 296.8814541278168 5.105021 221 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 380.84315282991287 5.1079917 222 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 408411.12 0 181.071272950755 5.1460285 223 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 101.02381629960816 5.1541 224 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 163.06056434534895 5.1541 225 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 69666.13 0 499.0703057881917 5.163438 226 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 443.1038964799561 5.165685 227 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 369.1029343285206 5.1687927 228 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 121488.984 0 341.1079301552493 5.1698203 229 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 666652.7 0 415.1087980866248 5.1698203 230 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 459.13419593571984 5.17145 231 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 460.09400170064487 5.1739388 232 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 457.1193800823472 5.174943 233 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 432.0990695220266 5.181081 234 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 166.01720005515804 5.214 235 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 432.0989800342522 5.3009253 236 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 415.1086843110904 5.315473 237 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 405.0798284861695 5.3195 238 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 451.0281055733943 5.331683 239 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 235972.84 0 382.0996065037789 5.385739 240 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 129012.01 0 432.09896431613015 5.3880396 241 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 50182.125 0 415.1085318941266 5.389007 242 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 145.01354159582584 5.389917 243 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 515.1248383471799 5.3930335 244 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 405.0796264643786 5.393487 245 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 85484.15 0 424.03098378026766 5.456037 246 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 84308.19 0 367.1047873594568 5.4570303 247 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 412.0307193028139 5.458311 248 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 176.05600561949558 5.4596334 249 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 101.02411049907369 5.461233 250 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 117649.086 0 187.1083709787572 5.461539 251 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 405.1022514486804 5.463267 252 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 129.01861385255603 5.4634666 253 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 147.0294478207034 5.464097 254 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 599919.8 0 305.0172190765626 5.476954 255 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 251843.72 0 111.0194704191449 5.477995 256 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 146661.69 0 217.0824040021517 5.5011115 257 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 277.05565971217914 5.5685334 258 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 196.0720240373712 5.58455 259 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 551.1614849862333 5.6060915 260 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 283.10253817634674 5.7462 261 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 156.02736476117448 5.758633 262 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 248.9600051669244 5.7871222 263 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 59536.836 0 118.05035977699346 5.8386555 264 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 259.0907503601495 5.8413315 265 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 77226.51 0 460.1664679318693 5.8587503 266 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 69780.27 0 265.0472798894507 5.858887 267 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 89892.68 0 271.00329828652764 5.8667593 268 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 260482.6 0 124.00674032888124 5.8679786 269 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 221343.88 0 466.1233082645099 5.868708 270 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 118.05014916974848 5.9411335 271 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 351.066157153057 5.955333 272 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 164.03809929373168 5.9858584 273 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 347.07438732956035 6.0060782 274 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 223.04523296205983 6.0157833 275 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 147.02954730833488 6.016025 276 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 196.06061180570688 6.016033 277 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 203.1031963567522 6.0169616 278 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 573.1586869662842 6.0181003 279 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 153.86829758795886 6.0183167 280 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 88449.74 0 160.8416075252179 6.020707 281 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 86558.94 0 162.83880315898347 6.0247035 282 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 57202.316 0 567.1328594557078 6.026056 283 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 164.83651664061142 6.028525 284 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 226679.48 0 341.1080752584267 6.030564 285 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 369.1302497421924 6.031767 286 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 213649.55 0 380.0857909089604 6.0329294 287 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 3355150.8 0 377.0853877019091 6.0334697 288 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 186584.55 0 195.81007549199188 6.043524 289 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 85.0288472850776 6.044833 290 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 351.08799735586126 6.0465736 291 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 52630.85 0 349.0902138225881 6.0477557 292 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 230328.9 0 197.8074497387195 6.054078 293 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 120830.51 0 199.80439376830344 6.0627675 294 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 255.8216864715141 6.079925 295 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 257.81861162176403 6.079925 296 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 281.08741257016163 6.1120167 297 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 567.1324168546579 6.1245666 298 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 442274.1 0 377.0854177368436 6.134367 299 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 118129.0 0 127.05073512031956 6.165503 300 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 504013.2 0 145.06137850885108 6.168286 301 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 98278.79 0 313.1124922125512 6.1688643 302 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 1492981.2 0 487.1775502317557 6.17469 303 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 156605.45 0 341.10795982306786 6.1759744 304 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 85.02886994359115 6.17615 305 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 103585.42 0 161.04505752833575 6.177401 306 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 179.05560208522587 6.178625 307 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 208754.61 0 404.1037571904742 6.1822033 308 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 683.2247494213096 6.185875 309 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 533.1351576222935 6.1863747 310 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 337.076704021333 6.2700667 311 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 70692.09 0 285.0815198256679 6.274747 312 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 91991.58 0 131.04576483269466 6.279371 313 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 243200.34 0 473.1622238214856 6.294035 314 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 230.1140651678797 6.3078 315 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 85.02880262464393 6.31735 316 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 231.05892086463408 6.3180666 317 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 314.1243286941705 6.3269167 318 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 249766.12 0 446.151054532339 6.3333964 319 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 369.1298211998426 6.3335333 320 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 122824.89 0 341.10795574462634 6.3776975 321 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 105512.1 0 161.04510410260008 6.3806043 322 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 177896.53 0 683.2247429059362 6.3815837 323 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 341200.7 0 404.1038655823881 6.382323 324 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 116213.75 0 377.0853176704404 6.3833137 325 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 221.06585296417336 6.3838334 326 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 179.05543279200992 6.383917 327 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 75667.47 0 102.05554943706493 6.4241996 328 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 112834.08 0 128.0348326127384 6.425373 329 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 59894.984 0 852.2605059727284 6.42592 330 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 850401.0 0 146.0453959072269 6.429987 331 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 541.1171038177423 6.431733 332 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 223.04526313136947 6.4318833 333 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 1215291.8 0 488.1618629347416 6.4328423 334 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 57391.73 0 179.05555411847763 6.4345336 335 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 511.1430137507941 6.439658 336 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 533.1351540532298 6.439658 337 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 50584.47 0 467.1167526783238 6.439775 338 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 257326.6 0 377.0853413433481 6.4412994 339 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 50372.75 0 431.1042339825117 6.4426746 340 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 51683.496 0 719.2019545797923 6.442898 341 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 1574111.8 0 341.1080955681797 6.457898 342 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 5063247.5 0 387.1136618915369 6.457898 343 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 72940.68 0 683.2249539098053 6.4584427 344 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 390.1218790278056 6.4588284 345 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 123707.805 0 729.2302300017724 6.4595413 346 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 446.15107530207285 6.461315 347 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 473.16252597984845 6.473417 348 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 447.1374213141028 6.47365 349 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 835788.25 0 404.1039498471663 6.4754333 350 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 179.05550223928677 6.5288167 351 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 72372.94 0 377.0852297507381 6.6390166 352 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 214.04814591062063 6.6682 353 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 306.07624420267746 6.683367 354 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 165.03984875364597 6.7459664 355 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 179.05550389368108 6.7470417 356 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 168091.14 0 404.1037504816566 6.7487497 357 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 341.10784945223566 6.7492 358 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 377.0850790905292 6.7492 359 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 61561.59 0 566.1565289752311 6.7732 360 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 243.01754702128204 6.8341208 361 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 124713.61 0 549.1665078936674 6.8809843 362 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 363537.4 0 566.1567208219295 6.8828635 363 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 77748.51 0 503.16101714867375 6.8843307 364 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 669.2088742149062 6.8851833 365 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 66022.07 0 337.077016568431 6.8977365 366 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 566.156561804381 6.9667916 367 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 267.0713044932404 7.0074997 368 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 243.0175912669956 7.0202 369 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 52436.125 0 539.1377776447937 7.053332 370 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 101712.06 0 1007.3307357121904 7.0553904 371 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 239889.48 0 549.1666558285273 7.055967 372 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 164493.27 0 503.1611043196567 7.056547 373 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 661359.9 0 566.1567883782691 7.056547 374 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 639.1984132458687 7.0575333 375 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 108775.53 0 376.10095579196246 7.0580783 376 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 636.1987491589397 7.0582223 377 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 669.2090822640757 7.059758 378 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 404.1037971182775 7.1490583 379 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 52542.242 0 539.1376228314792 7.213836 380 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 341.10772029317184 7.2142 381 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 1007.3304722686656 7.2189083 382 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 140040.48 0 503.1611182989061 7.224993 383 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 424123.28 0 566.1568050838798 7.232582 384 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 125320.02 0 549.1666816899316 7.24799 385 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 243.01747958499703 7.2602334 386 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 81669.72 0 353.0719736718401 7.381283 387 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 103437.984 0 728.2101972558147 7.3987937 388 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 91173.36 0 665.2143682537479 7.400247 389 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 331.11350343417365 7.46043 390 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 224095.89 0 154.06172597466596 7.46527 391 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 88325.78 0 711.219701545415 7.554122 392 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 54278.098 0 665.2146918705007 7.555325 393 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 80420.516 0 728.210304049564 7.558983 394 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 665.2144782338838 7.6589665 395 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 76857.766 0 154.06169743269285 7.675626 396 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 51259.344 0 131.08221250719097 7.6823187 397 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 521.3273246910464 7.6840444 398 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 84381.5 0 173.10395175344638 7.6845536 399 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 154.0616812406937 7.8202085 400 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 85956.45 0 145.0977860469393 7.8258553 401 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 195.0503885530922 7.8264165 402 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 165.0398028737673 7.828483 403 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 171.00600177800553 7.8455634 404 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 171.00592826118296 7.9485 405 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 154.06166983247007 7.98075 406 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 70313.45 0 195.05045159730776 7.9821835 407 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 131.08210329472166 7.9839334 408 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 333.0587423397049 8.207429 409 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 52801.055 0 158.97797888260817 9.841453 410 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 0.0 0 289.9483832120276 9.841567 411 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML 86110.414 0 272.9585951265392 9.841882 1 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 93.03385290447436 1.3726889 2 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 342.2282842200452 1.3893917 3 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 58638.254 0 774.5279624210174 1.4256333 4 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 414.1218492977562 1.4882333 5 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 314.1968815601056 1.4933132 6 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 201.0761274655518 1.533225 7 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 58983.223 0 217.10738466723123 1.5635065 8 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 58292.51 0 93.04496836540216 1.59925 9 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 272.1496694202024 1.62595 10 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 96071.53 0 802.5603771415259 1.6640555 11 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 178.05023404461056 1.6760334 12 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 188.94898253557048 1.7026334 13 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 204.12365316668223 1.7026334 14 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 56968.406 0 293.17860481195504 1.708019 15 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 88271.914 0 776.5433957777306 1.751811 16 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 133993.0 0 774.5288730138618 1.76045 17 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 55468.977 0 309.1736714811531 1.7619792 18 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 353.1994786176988 1.798662 19 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 202.1078766798916 1.80035 20 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 397.22625990072027 1.8235583 21 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 124416.61 0 171.06571659654227 1.827863 22 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 79681.81 0 127.07591121213706 1.8292907 23 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 258.1340381334496 1.8461833 24 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 316.2126434271194 1.8711833 25 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 89.0235512311677 1.8853583 26 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 244.11833914250303 1.8909167 27 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 194.08163019411083 1.92555 28 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 65661.76 0 111.0194360568886 1.9417667 29 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 152936.34 0 167.03440596891804 1.9441166 30 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 216.1234363986188 1.9783 31 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 216.94379145047068 2.0031228 32 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 360.23881181531686 2.00415 33 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 99.00803117810024 2.0057502 34 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 453247.0 0 117.01877083220012 2.0078368 35 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 102098.82 0 73.0285860830186 2.0082808 36 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 530.2785104120919 2.0152998 37 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 318.02785704601115 2.0189166 38 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 437.21358469950616 2.0189166 39 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 218.1031052887504 2.024331 40 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 88.03967650136562 2.0265 41 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 371055.9 0 742.5387858229274 2.043875 42 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 731771.94 0 716.522749977004 2.0675 43 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 89.02355611082942 2.0678582 44 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 195.06571730541225 2.0697334 45 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 360.2388161045092 2.0765834 46 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 230.10263502127668 2.0879667 47 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 702.5076365968943 2.0886 48 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 246.99120909765568 2.0927222 49 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 243.13437202348544 2.0970666 50 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 1488020.8 0 688.4919999607429 2.1007051 51 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 299006.2 0 660.4605446622179 2.128822 52 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 179183.89 0 201.07597957430923 2.177861 53 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 222.0763033454145 2.181225 54 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 153.01862959637714 2.22745 55 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 403.1241872745805 2.2475874 56 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 151.0395460357251 2.2482166 57 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 349.06927581920576 2.2494724 58 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 359.09750936117143 2.2495408 59 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 89.02367397714102 2.2499542 60 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 70061.92 0 260.1495206114146 2.2600918 61 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 208.06051489951616 2.2895334 62 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 204748.78 0 229.1184198004067 2.297429 63 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 285.0608566468509 2.3280666 64 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 206.04552680170684 2.3593166 65 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 241.0350635576058 2.3800666 66 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 566.3457974096141 2.42135 67 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 362.2442056064621 2.4242666 68 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 160.03983663046114 2.44055 69 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 161.0449419243981 2.48759 70 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 336.22903204045184 2.5179167 71 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 115502.47 0 151.0606203206697 2.5271666 72 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 459.1136845440237 2.5279167 73 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 165087.34 0 687.5440678824715 2.5327036 74 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 165.0188311080946 2.5618834 75 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 313941.66 0 659.5124284446764 2.5621688 76 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 58811.51 0 631.4810305663648 2.60535 77 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 113628.836 0 246.134080266216 2.6086943 78 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 229.0710375000464 2.619675 79 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 194632.33 0 215.1030108191725 2.6454399 80 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 365.1633183905246 2.64855 81 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 187.0411037236024 2.6628668 82 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 115.02029022867096 2.6806 83 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 463.10876429689966 2.6806 84 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 194.04522665628 2.7020664 85 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 191.07267377279115 2.7035 86 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 83028.45 0 189.05612915029147 2.703886 87 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 205.049599795934 2.7047243 88 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 478.29335782667874 2.7097 89 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 245.04647653186083 2.7155416 90 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 217.0328329782935 2.7182 91 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 261.04062605310975 2.7182 92 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 173.02576793846893 2.7202168 93 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 62540.027 0 205.0139200348532 2.7220578 94 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 246.0437565312131 2.7296085 95 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 203.0331934649314 2.7343335 96 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 247.03641790824423 2.7391334 97 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 170612.36 0 478.29358068357527 2.7805529 98 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 450.26276122576456 2.7924333 99 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 88740.07 0 450.2623329483288 2.8485205 100 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 51418.535 0 905.5637132131336 2.8517332 101 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 472696.75 0 452.2774502174688 2.8579333 102 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 453.2809182724429 2.8586445 103 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 93844.79 0 305.0683101668419 2.86956 104 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 187.04126450765307 2.8698082 105 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 417.1031486293373 2.8980167 106 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 553.1767620418868 2.8980167 107 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 509.1503466515295 2.902425 108 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 513.2188948283712 2.9071333 109 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 51925.254 0 463.1090300636153 2.911446 110 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 379.1606913172725 2.9115334 111 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 53424.035 0 424.24667016223407 2.9308333 112 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 66257.625 0 287.16088355963427 2.942675 113 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 149747.95 0 151.02565353793702 2.960931 114 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 89.023644609207 2.96735 115 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 135.03064799851376 2.9680166 116 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 299.0763710941055 2.999043 117 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 305.0693976881394 3.0389333 118 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 279.03816479439735 3.069239 119 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 123927.35 0 495.11752787468345 3.0693083 120 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 85461.44 0 200.0559653389267 3.069594 121 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 446693.7 0 243.0615161475912 3.0696342 122 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 254.0665093188214 3.081675 123 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 63255.336 0 441.161109644883 3.1197777 124 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 386.14498918221614 3.1430666 125 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 212653.28 0 423.0946742362405 3.1635807 126 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 93160.03 0 805.487208410837 3.1671333 127 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 53429.76 0 808.5054019042612 3.1671333 128 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 735667.8 0 431.1189294135333 3.212346 129 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 494.1149903010408 3.2123778 130 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 298230.22 0 863.2466333941438 3.212346 131 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 201.08767626698824 3.2730463 132 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 181.07116378738937 3.2767832 133 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 379.16044685174256 3.2937167 134 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 79467.33 0 425.1659360092301 3.2939835 135 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 415.13719069716257 3.2972667 136 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 442.155774968465 3.2983918 137 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 135410.88 0 508.2029935900176 3.3033278 138 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 233.0118147563065 3.30885 139 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 181425.28 0 128.0347547953409 3.3096147 140 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 227.95989955231545 3.3166084 141 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 279.0592001778712 3.3235333 142 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 338.10879131481295 3.3376334 143 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 427.12655414683854 3.3376334 144 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 69928.4 0 510.1829772658847 3.34115 145 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 428.11891319497687 3.3887832 146 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 283.0844953165966 3.3931668 147 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 299.076537947216 3.3932598 148 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 188.0558698558908 3.4127185 149 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 100231.5 0 417.1031192578657 3.4173584 150 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 157.0137208641791 3.4216666 151 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 175.02426445945224 3.4216666 152 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 128.03483206810057 3.4975834 153 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 389.107928268466 3.4981833 154 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 116378.33 0 181.0711946932322 3.499129 155 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 167.07076991550073 3.5078166 156 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 229.07116449741457 3.5078166 157 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 224.05584246171915 3.5101979 158 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 194.04517579040763 3.5137749 159 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 323.980758793017 3.5185165 160 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 59480.582 0 417.1031244283464 3.5503209 161 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 243.0504114435401 3.63265 162 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 265.08267086505225 3.6427999 163 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 199.06057341944896 3.688 164 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 147331.67 0 356.134749942328 3.703332 165 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 101620.63 0 419.1298477158531 3.7040455 166 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 194.08204788413832 3.7056668 167 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 191910.95 0 535.153498026724 3.7377152 168 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 817348.94 0 267.0728731788562 3.7380428 169 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 460.0941949935822 3.7703612 170 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 150567.9 0 597.3036309634889 3.795014 171 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 595.2880331927124 3.8294923 172 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 569.272570164922 3.881628 173 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 443.1039304657232 3.904469 174 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 74848.39 0 460.0941466113717 3.9059274 175 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 609.1454009958121 3.9169166 176 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 380.1555981491749 3.9310918 177 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 460.0942179014989 3.9996758 178 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 143652.0 0 174.04027048930095 4.0048795 179 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 234687.61 0 164.0712777998749 4.019053 180 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 267.07236610771326 4.021375 181 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 243.06154493732188 4.062987 182 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 128255.84 0 130.08675740473896 4.075868 183 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 89743.95 0 438.1249847087367 4.075875 184 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 255.0538490124228 4.1011667 185 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 610.1254175638578 4.1743746 186 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 106019.914 0 130.08674229975747 4.2527947 187 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 236315.05 0 438.12520688369233 4.313937 188 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 83753.26 0 157.03625348981768 4.3502917 189 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 543.1574238804784 4.3728666 190 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 170009.45 0 151.0607771303458 4.3767834 191 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 185978.84 0 335.04897978800653 4.3777795 192 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 1181885.0 0 167.0207355171104 4.3789964 193 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 57895.04 0 421.1347911525265 4.3812447 194 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 104853.11 0 438.124941265219 4.395296 195 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 60015.65 0 203.082047588306 4.41425 196 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 137467.81 0 282.0836542603278 4.5568447 197 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 78181.17 0 628.1710371025724 4.55798 198 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 144.04477615488602 4.564833 199 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 188.034766919081 4.564833 200 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 524.1255615283701 4.6126666 201 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 367.104630367268 4.635317 202 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 299.0802359566191 4.64185 203 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 266117.94 0 779.2247774857598 4.667946 204 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 178233.83 0 452.10414488542216 4.6702 205 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 817.1808010064028 4.6849084 206 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 632867.8 0 389.1080301124976 4.6864667 207 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 569.1715496717898 4.696128 208 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 367.1047812773522 4.6997166 209 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 146446.86 0 432.0990540283325 4.797717 210 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 64771.64 0 116.07132090455258 4.821183 211 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 217.08229331545024 4.82535 212 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 129.01873958262698 4.8818 213 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 194.9962343263711 4.8943667 214 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 151268.61 0 114.05555697742427 4.9093885 215 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 210.08781467637203 4.9962997 216 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 468.1103896237901 5.018025 217 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 432.0989539075161 5.0298166 218 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 416992.3 0 181.0713761240362 5.0403976 219 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 90333.88 0 128.95890600082953 5.1037683 220 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 72559.7 0 296.8814541278168 5.105021 221 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 380.84315282991287 5.1079917 222 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 821876.3 0 181.071272950755 5.1460285 223 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 53167.5 0 101.02381629960816 5.1541 224 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 72382.945 0 163.06056434534895 5.1541 225 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 499.0703057881917 5.163438 226 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 443.1038964799561 5.165685 227 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 60500.965 0 369.1029343285206 5.1687927 228 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 156107.95 0 341.1079301552493 5.1698203 229 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 817533.25 0 415.1087980866248 5.1698203 230 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 459.13419593571984 5.17145 231 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 460.09400170064487 5.1739388 232 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 457.1193800823472 5.174943 233 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 105151.695 0 432.0990695220266 5.181081 234 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 166.01720005515804 5.214 235 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 67522.695 0 432.0989800342522 5.3009253 236 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 415.1086843110904 5.315473 237 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 405.0798284861695 5.3195 238 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 451.0281055733943 5.331683 239 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 166574.14 0 382.0996065037789 5.385739 240 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 107411.125 0 432.09896431613015 5.3880396 241 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 415.1085318941266 5.389007 242 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 145.01354159582584 5.389917 243 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 515.1248383471799 5.3930335 244 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 405.0796264643786 5.393487 245 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 97486.945 0 424.03098378026766 5.456037 246 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 367.1047873594568 5.4570303 247 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 412.0307193028139 5.458311 248 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 176.05600561949558 5.4596334 249 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 101.02411049907369 5.461233 250 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 61794.867 0 187.1083709787572 5.461539 251 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 405.1022514486804 5.463267 252 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 129.01861385255603 5.4634666 253 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 147.0294478207034 5.464097 254 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 931118.9 0 305.0172190765626 5.476954 255 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 382476.7 0 111.0194704191449 5.477995 256 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 217.0824040021517 5.5011115 257 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 277.05565971217914 5.5685334 258 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 196.0720240373712 5.58455 259 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 551.1614849862333 5.6060915 260 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 283.10253817634674 5.7462 261 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 156.02736476117448 5.758633 262 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 50465.63 0 248.9600051669244 5.7871222 263 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 104377.36 0 118.05035977699346 5.8386555 264 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 295947.28 0 259.0907503601495 5.8413315 265 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 76504.68 0 460.1664679318693 5.8587503 266 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 111845.42 0 265.0472798894507 5.858887 267 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 271.00329828652764 5.8667593 268 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 265746.7 0 124.00674032888124 5.8679786 269 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 147356.2 0 466.1233082645099 5.868708 270 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 118.05014916974848 5.9411335 271 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 351.066157153057 5.955333 272 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 56411.21 0 164.03809929373168 5.9858584 273 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 228105.84 0 347.07438732956035 6.0060782 274 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 223.04523296205983 6.0157833 275 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 147.02954730833488 6.016025 276 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 196.06061180570688 6.016033 277 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 203.1031963567522 6.0169616 278 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 187885.22 0 573.1586869662842 6.0181003 279 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 153.86829758795886 6.0183167 280 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 92467.2 0 160.8416075252179 6.020707 281 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 97801.4 0 162.83880315898347 6.0247035 282 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 61447.21 0 567.1328594557078 6.026056 283 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 164.83651664061142 6.028525 284 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 341.1080752584267 6.030564 285 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 78135.51 0 369.1302497421924 6.031767 286 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 85018.875 0 380.0857909089604 6.0329294 287 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 1296352.6 0 377.0853877019091 6.0334697 288 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 195.81007549199188 6.043524 289 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 85.0288472850776 6.044833 290 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 80923.25 0 351.08799735586126 6.0465736 291 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 209816.78 0 349.0902138225881 6.0477557 292 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 197.8074497387195 6.054078 293 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 118068.61 0 199.80439376830344 6.0627675 294 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 255.8216864715141 6.079925 295 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 257.81861162176403 6.079925 296 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 281.08741257016163 6.1120167 297 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 567.1324168546579 6.1245666 298 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 321273.62 0 377.0854177368436 6.134367 299 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 141365.98 0 127.05073512031956 6.165503 300 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 561161.4 0 145.06137850885108 6.168286 301 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 104033.12 0 313.1124922125512 6.1688643 302 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 1315696.1 0 487.1775502317557 6.17469 303 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 133433.53 0 341.10795982306786 6.1759744 304 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 85.02886994359115 6.17615 305 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 81442.79 0 161.04505752833575 6.177401 306 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 179.05560208522587 6.178625 307 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 176922.81 0 404.1037571904742 6.1822033 308 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 683.2247494213096 6.185875 309 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 533.1351576222935 6.1863747 310 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 337.076704021333 6.2700667 311 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 85569.44 0 285.0815198256679 6.274747 312 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 108807.87 0 131.04576483269466 6.279371 313 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 234658.66 0 473.1622238214856 6.294035 314 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 230.1140651678797 6.3078 315 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 85.02880262464393 6.31735 316 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 231.05892086463408 6.3180666 317 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 314.1243286941705 6.3269167 318 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 236606.97 0 446.151054532339 6.3333964 319 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 70134.84 0 369.1298211998426 6.3335333 320 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 112653.195 0 341.10795574462634 6.3776975 321 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 91705.47 0 161.04510410260008 6.3806043 322 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 130767.47 0 683.2247429059362 6.3815837 323 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 344040.6 0 404.1038655823881 6.382323 324 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 120809.34 0 377.0853176704404 6.3833137 325 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 221.06585296417336 6.3838334 326 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 179.05543279200992 6.383917 327 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 59294.145 0 102.05554943706493 6.4241996 328 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 90168.86 0 128.0348326127384 6.425373 329 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 67191.26 0 852.2605059727284 6.42592 330 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 675455.7 0 146.0453959072269 6.429987 331 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 541.1171038177423 6.431733 332 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 223.04526313136947 6.4318833 333 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 982003.75 0 488.1618629347416 6.4328423 334 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 179.05555411847763 6.4345336 335 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 511.1430137507941 6.439658 336 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 533.1351540532298 6.439658 337 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 467.1167526783238 6.439775 338 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 262578.78 0 377.0853413433481 6.4412994 339 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 52013.324 0 431.1042339825117 6.4426746 340 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 55402.25 0 719.2019545797923 6.442898 341 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 1467035.8 0 341.1080955681797 6.457898 342 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 4725123.0 0 387.1136618915369 6.457898 343 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 70414.21 0 683.2249539098053 6.4584427 344 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 390.1218790278056 6.4588284 345 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 110456.14 0 729.2302300017724 6.4595413 346 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 88028.35 0 446.15107530207285 6.461315 347 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 50905.87 0 473.16252597984845 6.473417 348 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 447.1374213141028 6.47365 349 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 871953.3 0 404.1039498471663 6.4754333 350 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 179.05550223928677 6.5288167 351 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 62934.89 0 377.0852297507381 6.6390166 352 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 214.04814591062063 6.6682 353 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 306.07624420267746 6.683367 354 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 165.03984875364597 6.7459664 355 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 179.05550389368108 6.7470417 356 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 259078.0 0 404.1037504816566 6.7487497 357 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 50468.74 0 341.10784945223566 6.7492 358 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 69931.17 0 377.0850790905292 6.7492 359 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 566.1565289752311 6.7732 360 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 243.01754702128204 6.8341208 361 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 104345.23 0 549.1665078936674 6.8809843 362 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 292000.25 0 566.1567208219295 6.8828635 363 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 63181.137 0 503.16101714867375 6.8843307 364 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 669.2088742149062 6.8851833 365 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 154903.19 0 337.077016568431 6.8977365 366 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 566.156561804381 6.9667916 367 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 267.0713044932404 7.0074997 368 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 243.0175912669956 7.0202 369 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 539.1377776447937 7.053332 370 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 1007.3307357121904 7.0553904 371 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 127684.94 0 549.1666558285273 7.055967 372 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 85682.336 0 503.1611043196567 7.056547 373 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 404649.53 0 566.1567883782691 7.056547 374 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 639.1984132458687 7.0575333 375 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 227133.17 0 376.10095579196246 7.0580783 376 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 95346.445 0 636.1987491589397 7.0582223 377 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 669.2090822640757 7.059758 378 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 404.1037971182775 7.1490583 379 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 539.1376228314792 7.213836 380 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 341.10772029317184 7.2142 381 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 1007.3304722686656 7.2189083 382 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 68397.41 0 503.1611182989061 7.224993 383 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 253891.06 0 566.1568050838798 7.232582 384 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 69461.36 0 549.1666816899316 7.24799 385 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 243.01747958499703 7.2602334 386 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 81569.5 0 353.0719736718401 7.381283 387 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 86165.07 0 728.2101972558147 7.3987937 388 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 78004.84 0 665.2143682537479 7.400247 389 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 331.11350343417365 7.46043 390 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 243956.17 0 154.06172597466596 7.46527 391 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 73939.28 0 711.219701545415 7.554122 392 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 665.2146918705007 7.555325 393 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 55216.406 0 728.210304049564 7.558983 394 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 665.2144782338838 7.6589665 395 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 90806.3 0 154.06169743269285 7.675626 396 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 60711.188 0 131.08221250719097 7.6823187 397 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 521.3273246910464 7.6840444 398 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 100851.38 0 173.10395175344638 7.6845536 399 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 154.0616812406937 7.8202085 400 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 99507.15 0 145.0977860469393 7.8258553 401 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 120172.17 0 195.0503885530922 7.8264165 402 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 165.0398028737673 7.828483 403 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 90677.79 0 171.00600177800553 7.8455634 404 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 171.00592826118296 7.9485 405 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 154.06166983247007 7.98075 406 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 195.05045159730776 7.9821835 407 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 131.08210329472166 7.9839334 408 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 333.0587423397049 8.207429 409 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 54132.99 0 158.97797888260817 9.841453 410 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 0.0 0 289.9483832120276 9.841567 411 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML 90986.1 0 272.9585951265392 9.841882 1 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 93.03385290447436 1.3726889 2 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 342.2282842200452 1.3893917 3 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 774.5279624210174 1.4256333 4 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 414.1218492977562 1.4882333 5 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 314.1968815601056 1.4933132 6 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 89749.28 0 201.0761274655518 1.533225 7 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 252606.67 0 217.10738466723123 1.5635065 8 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 93.04496836540216 1.59925 9 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 67443.09 0 272.1496694202024 1.62595 10 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 802.5603771415259 1.6640555 11 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 178.05023404461056 1.6760334 12 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 188.94898253557048 1.7026334 13 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 204.12365316668223 1.7026334 14 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 134089.0 0 293.17860481195504 1.708019 15 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 776.5433957777306 1.751811 16 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 774.5288730138618 1.76045 17 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 129445.79 0 309.1736714811531 1.7619792 18 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 82139.6 0 353.1994786176988 1.798662 19 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 158207.78 0 202.1078766798916 1.80035 20 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 397.22625990072027 1.8235583 21 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 87322.48 0 171.06571659654227 1.827863 22 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 56612.266 0 127.07591121213706 1.8292907 23 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 62352.926 0 258.1340381334496 1.8461833 24 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 316.2126434271194 1.8711833 25 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 61339.156 0 89.0235512311677 1.8853583 26 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 75244.86 0 244.11833914250303 1.8909167 27 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 97015.7 0 194.08163019411083 1.92555 28 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 111.0194360568886 1.9417667 29 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 90493.98 0 167.03440596891804 1.9441166 30 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 80590.12 0 216.1234363986188 1.9783 31 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 216.94379145047068 2.0031228 32 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 360.23881181531686 2.00415 33 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 99.00803117810024 2.0057502 34 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 464719.12 0 117.01877083220012 2.0078368 35 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 104082.09 0 73.0285860830186 2.0082808 36 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 67636.805 0 530.2785104120919 2.0152998 37 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 318.02785704601115 2.0189166 38 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 437.21358469950616 2.0189166 39 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 249685.33 0 218.1031052887504 2.024331 40 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 88.03967650136562 2.0265 41 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 120556.76 0 742.5387858229274 2.043875 42 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 333102.25 0 716.522749977004 2.0675 43 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 78083.79 0 89.02355611082942 2.0678582 44 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 60238.082 0 195.06571730541225 2.0697334 45 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 360.2388161045092 2.0765834 46 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 63334.414 0 230.10263502127668 2.0879667 47 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 702.5076365968943 2.0886 48 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 246.99120909765568 2.0927222 49 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 115374.0 0 243.13437202348544 2.0970666 50 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 627569.4 0 688.4919999607429 2.1007051 51 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 118854.12 0 660.4605446622179 2.128822 52 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 366951.6 0 201.07597957430923 2.177861 53 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 209350.08 0 222.0763033454145 2.181225 54 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 153.01862959637714 2.22745 55 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 403.1241872745805 2.2475874 56 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 151.0395460357251 2.2482166 57 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 349.06927581920576 2.2494724 58 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 359.09750936117143 2.2495408 59 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 89.02367397714102 2.2499542 60 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 80318.195 0 260.1495206114146 2.2600918 61 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 75935.45 0 208.06051489951616 2.2895334 62 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 298178.97 0 229.1184198004067 2.297429 63 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 63111.69 0 285.0608566468509 2.3280666 64 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 206.04552680170684 2.3593166 65 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 66392.69 0 241.0350635576058 2.3800666 66 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 566.3457974096141 2.42135 67 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 362.2442056064621 2.4242666 68 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 160.03983663046114 2.44055 69 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 107064.43 0 161.0449419243981 2.48759 70 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 336.22903204045184 2.5179167 71 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 151.0606203206697 2.5271666 72 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 109839.55 0 459.1136845440237 2.5279167 73 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 687.5440678824715 2.5327036 74 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 56615.66 0 165.0188311080946 2.5618834 75 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 659.5124284446764 2.5621688 76 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 631.4810305663648 2.60535 77 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 256628.95 0 246.134080266216 2.6086943 78 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 95222.24 0 229.0710375000464 2.619675 79 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 235123.88 0 215.1030108191725 2.6454399 80 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 365.1633183905246 2.64855 81 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 110360.02 0 187.0411037236024 2.6628668 82 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 50144.516 0 115.02029022867096 2.6806 83 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 58167.105 0 463.10876429689966 2.6806 84 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 194.04522665628 2.7020664 85 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 191.07267377279115 2.7035 86 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 100390.02 0 189.05612915029147 2.703886 87 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 205.049599795934 2.7047243 88 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 478.29335782667874 2.7097 89 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 94241.08 0 245.04647653186083 2.7155416 90 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 68469.32 0 217.0328329782935 2.7182 91 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 55746.055 0 261.04062605310975 2.7182 92 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 86243.78 0 173.02576793846893 2.7202168 93 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 66832.195 0 205.0139200348532 2.7220578 94 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 59157.848 0 246.0437565312131 2.7296085 95 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 167294.9 0 203.0331934649314 2.7343335 96 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 247.03641790824423 2.7391334 97 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 478.29358068357527 2.7805529 98 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 450.26276122576456 2.7924333 99 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 450.2623329483288 2.8485205 100 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 905.5637132131336 2.8517332 101 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 452.2774502174688 2.8579333 102 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 453.2809182724429 2.8586445 103 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 127967.195 0 305.0683101668419 2.86956 104 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 119382.54 0 187.04126450765307 2.8698082 105 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 63552.15 0 417.1031486293373 2.8980167 106 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 77364.29 0 553.1767620418868 2.8980167 107 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 83210.13 0 509.1503466515295 2.902425 108 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 60763.54 0 513.2188948283712 2.9071333 109 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 159337.95 0 463.1090300636153 2.911446 110 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 75482.09 0 379.1606913172725 2.9115334 111 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 424.24667016223407 2.9308333 112 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 123170.92 0 287.16088355963427 2.942675 113 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 69507.5 0 151.02565353793702 2.960931 114 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 51116.016 0 89.023644609207 2.96735 115 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 135.03064799851376 2.9680166 116 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 299.0763710941055 2.999043 117 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 52044.438 0 305.0693976881394 3.0389333 118 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 279.03816479439735 3.069239 119 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 495.11752787468345 3.0693083 120 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 55407.83 0 200.0559653389267 3.069594 121 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 303626.6 0 243.0615161475912 3.0696342 122 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 99993.62 0 254.0665093188214 3.081675 123 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 127514.43 0 441.161109644883 3.1197777 124 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 386.14498918221614 3.1430666 125 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 423.0946742362405 3.1635807 126 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 805.487208410837 3.1671333 127 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 808.5054019042612 3.1671333 128 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 1870045.6 0 431.1189294135333 3.212346 129 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 79735.19 0 494.1149903010408 3.2123778 130 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 999725.0 0 863.2466333941438 3.212346 131 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 201.08767626698824 3.2730463 132 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 181.07116378738937 3.2767832 133 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 115142.33 0 379.16044685174256 3.2937167 134 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 218688.5 0 425.1659360092301 3.2939835 135 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 56469.816 0 415.13719069716257 3.2972667 136 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 52776.02 0 442.155774968465 3.2983918 137 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 286215.78 0 508.2029935900176 3.3033278 138 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 233.0118147563065 3.30885 139 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 192236.11 0 128.0347547953409 3.3096147 140 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 227.95989955231545 3.3166084 141 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 279.0592001778712 3.3235333 142 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 338.10879131481295 3.3376334 143 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 427.12655414683854 3.3376334 144 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 510.1829772658847 3.34115 145 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 428.11891319497687 3.3887832 146 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 283.0844953165966 3.3931668 147 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 299.076537947216 3.3932598 148 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 56633.504 0 188.0558698558908 3.4127185 149 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 225760.7 0 417.1031192578657 3.4173584 150 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 157.0137208641791 3.4216666 151 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 175.02426445945224 3.4216666 152 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 128.03483206810057 3.4975834 153 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 389.107928268466 3.4981833 154 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 78355.07 0 181.0711946932322 3.499129 155 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 167.07076991550073 3.5078166 156 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 229.07116449741457 3.5078166 157 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 105676.78 0 224.05584246171915 3.5101979 158 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 194.04517579040763 3.5137749 159 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 323.980758793017 3.5185165 160 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 132054.56 0 417.1031244283464 3.5503209 161 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 65573.6 0 243.0504114435401 3.63265 162 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 265.08267086505225 3.6427999 163 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 199.06057341944896 3.688 164 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 162262.5 0 356.134749942328 3.703332 165 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 72266.35 0 419.1298477158531 3.7040455 166 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 194.08204788413832 3.7056668 167 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 535.153498026724 3.7377152 168 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 542944.2 0 267.0728731788562 3.7380428 169 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 460.0941949935822 3.7703612 170 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 74181.96 0 597.3036309634889 3.795014 171 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 595.2880331927124 3.8294923 172 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 569.272570164922 3.881628 173 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 443.1039304657232 3.904469 174 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 460.0941466113717 3.9059274 175 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 62416.016 0 609.1454009958121 3.9169166 176 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 118933.164 0 380.1555981491749 3.9310918 177 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 460.0942179014989 3.9996758 178 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 189526.23 0 174.04027048930095 4.0048795 179 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 158636.16 0 164.0712777998749 4.019053 180 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 87587.66 0 267.07236610771326 4.021375 181 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 243.06154493732188 4.062987 182 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 60889.883 0 130.08675740473896 4.075868 183 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 96613.586 0 438.1249847087367 4.075875 184 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 255.0538490124228 4.1011667 185 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 83499.125 0 610.1254175638578 4.1743746 186 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 130.08674229975747 4.2527947 187 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 277778.53 0 438.12520688369233 4.313937 188 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 125947.13 0 157.03625348981768 4.3502917 189 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 115118.99 0 543.1574238804784 4.3728666 190 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 151.0607771303458 4.3767834 191 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 128825.266 0 335.04897978800653 4.3777795 192 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 909540.56 0 167.0207355171104 4.3789964 193 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 171732.08 0 421.1347911525265 4.3812447 194 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 327369.53 0 438.124941265219 4.395296 195 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 58565.03 0 203.082047588306 4.41425 196 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 73143.17 0 282.0836542603278 4.5568447 197 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 628.1710371025724 4.55798 198 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 144.04477615488602 4.564833 199 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 188.034766919081 4.564833 200 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 524.1255615283701 4.6126666 201 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 62247.58 0 367.104630367268 4.635317 202 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 299.0802359566191 4.64185 203 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 945862.94 0 779.2247774857598 4.667946 204 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 202037.55 0 452.10414488542216 4.6702 205 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 817.1808010064028 4.6849084 206 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 2267696.2 0 389.1080301124976 4.6864667 207 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 225314.78 0 569.1715496717898 4.696128 208 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 65363.395 0 367.1047812773522 4.6997166 209 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 62276.473 0 432.0990540283325 4.797717 210 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 116.07132090455258 4.821183 211 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 217.08229331545024 4.82535 212 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 129.01873958262698 4.8818 213 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 194.9962343263711 4.8943667 214 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 88027.05 0 114.05555697742427 4.9093885 215 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 210.08781467637203 4.9962997 216 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 468.1103896237901 5.018025 217 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 432.0989539075161 5.0298166 218 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 204234.81 0 181.0713761240362 5.0403976 219 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 143544.22 0 128.95890600082953 5.1037683 220 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 122631.26 0 296.8814541278168 5.105021 221 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 81499.35 0 380.84315282991287 5.1079917 222 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 901083.94 0 181.071272950755 5.1460285 223 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 57630.48 0 101.02381629960816 5.1541 224 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 80510.46 0 163.06056434534895 5.1541 225 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 67600.38 0 499.0703057881917 5.163438 226 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 443.1038964799561 5.165685 227 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 67185.36 0 369.1029343285206 5.1687927 228 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 172915.53 0 341.1079301552493 5.1698203 229 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 915743.7 0 415.1087980866248 5.1698203 230 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 459.13419593571984 5.17145 231 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 460.09400170064487 5.1739388 232 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 457.1193800823472 5.174943 233 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 72592.38 0 432.0990695220266 5.181081 234 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 166.01720005515804 5.214 235 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 59842.023 0 432.0989800342522 5.3009253 236 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 415.1086843110904 5.315473 237 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 405.0798284861695 5.3195 238 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 451.0281055733943 5.331683 239 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 55396.742 0 382.0996065037789 5.385739 240 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 118565.97 0 432.09896431613015 5.3880396 241 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 59437.81 0 415.1085318941266 5.389007 242 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 145.01354159582584 5.389917 243 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 515.1248383471799 5.3930335 244 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 405.0796264643786 5.393487 245 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 424.03098378026766 5.456037 246 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 93149.13 0 367.1047873594568 5.4570303 247 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 412.0307193028139 5.458311 248 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 176.05600561949558 5.4596334 249 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 101.02411049907369 5.461233 250 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 114720.36 0 187.1083709787572 5.461539 251 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 64458.67 0 405.1022514486804 5.463267 252 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 129.01861385255603 5.4634666 253 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 51637.887 0 147.0294478207034 5.464097 254 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 246697.39 0 305.0172190765626 5.476954 255 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 105489.76 0 111.0194704191449 5.477995 256 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 217.0824040021517 5.5011115 257 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 64006.918 0 277.05565971217914 5.5685334 258 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 196.0720240373712 5.58455 259 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 79286.27 0 551.1614849862333 5.6060915 260 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 283.10253817634674 5.7462 261 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 156.02736476117448 5.758633 262 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 248.9600051669244 5.7871222 263 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 77294.7 0 118.05035977699346 5.8386555 264 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 259.0907503601495 5.8413315 265 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 114749.02 0 460.1664679318693 5.8587503 266 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 265.0472798894507 5.858887 267 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 271.00329828652764 5.8667593 268 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 206922.89 0 124.00674032888124 5.8679786 269 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 179680.02 0 466.1233082645099 5.868708 270 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 118.05014916974848 5.9411335 271 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 351.066157153057 5.955333 272 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 164.03809929373168 5.9858584 273 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 508692.88 0 347.07438732956035 6.0060782 274 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 223.04523296205983 6.0157833 275 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 61743.566 0 147.02954730833488 6.016025 276 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 329900.9 0 196.06061180570688 6.016033 277 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 82205.31 0 203.1031963567522 6.0169616 278 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 246098.61 0 573.1586869662842 6.0181003 279 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 153.86829758795886 6.0183167 280 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 102472.78 0 160.8416075252179 6.020707 281 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 102021.56 0 162.83880315898347 6.0247035 282 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 567.1328594557078 6.026056 283 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 164.83651664061142 6.028525 284 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 51051.582 0 341.1080752584267 6.030564 285 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 369.1302497421924 6.031767 286 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 84838.766 0 380.0857909089604 6.0329294 287 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 1310722.6 0 377.0853877019091 6.0334697 288 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 175559.8 0 195.81007549199188 6.043524 289 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 133085.95 0 85.0288472850776 6.044833 290 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 351.08799735586126 6.0465736 291 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 349.0902138225881 6.0477557 292 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 221141.97 0 197.8074497387195 6.054078 293 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 114109.45 0 199.80439376830344 6.0627675 294 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 255.8216864715141 6.079925 295 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 257.81861162176403 6.079925 296 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 108789.96 0 281.08741257016163 6.1120167 297 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 567.1324168546579 6.1245666 298 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 377.0854177368436 6.134367 299 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 76994.48 0 127.05073512031956 6.165503 300 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 324187.53 0 145.06137850885108 6.168286 301 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 86078.86 0 313.1124922125512 6.1688643 302 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 892650.56 0 487.1775502317557 6.17469 303 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 109197.914 0 341.10795982306786 6.1759744 304 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 71891.055 0 85.02886994359115 6.17615 305 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 72356.6 0 161.04505752833575 6.177401 306 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 179.05560208522587 6.178625 307 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 144505.36 0 404.1037571904742 6.1822033 308 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 683.2247494213096 6.185875 309 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 95814.305 0 533.1351576222935 6.1863747 310 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 57828.35 0 337.076704021333 6.2700667 311 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 285.0815198256679 6.274747 312 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 131.04576483269466 6.279371 313 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 81334.25 0 473.1622238214856 6.294035 314 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 230.1140651678797 6.3078 315 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 85.02880262464393 6.31735 316 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 231.05892086463408 6.3180666 317 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 53912.31 0 314.1243286941705 6.3269167 318 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 104232.81 0 446.151054532339 6.3333964 319 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 369.1298211998426 6.3335333 320 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 91883.234 0 341.10795574462634 6.3776975 321 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 87089.08 0 161.04510410260008 6.3806043 322 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 150559.48 0 683.2247429059362 6.3815837 323 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 216380.05 0 404.1038655823881 6.382323 324 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 377.0853176704404 6.3833137 325 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 221.06585296417336 6.3838334 326 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 179.05543279200992 6.383917 327 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 102.05554943706493 6.4241996 328 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 128.0348326127384 6.425373 329 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 852.2605059727284 6.42592 330 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 414128.5 0 146.0453959072269 6.429987 331 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 541.1171038177423 6.431733 332 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 223.04526313136947 6.4318833 333 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 583666.8 0 488.1618629347416 6.4328423 334 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 58501.793 0 179.05555411847763 6.4345336 335 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 96264.055 0 511.1430137507941 6.439658 336 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 147061.0 0 533.1351540532298 6.439658 337 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 467.1167526783238 6.439775 338 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 241877.86 0 377.0853413433481 6.4412994 339 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 431.1042339825117 6.4426746 340 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 719.2019545797923 6.442898 341 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 2904505.0 0 341.1080955681797 6.457898 342 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 9196422.0 0 387.1136618915369 6.457898 343 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 122557.64 0 683.2249539098053 6.4584427 344 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 390.1218790278056 6.4588284 345 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 225316.19 0 729.2302300017724 6.4595413 346 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 71102.734 0 446.15107530207285 6.461315 347 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 473.16252597984845 6.473417 348 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 53503.773 0 447.1374213141028 6.47365 349 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 659839.8 0 404.1039498471663 6.4754333 350 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 58100.668 0 179.05550223928677 6.5288167 351 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 377.0852297507381 6.6390166 352 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 214.04814591062063 6.6682 353 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 306.07624420267746 6.683367 354 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 64465.598 0 165.03984875364597 6.7459664 355 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 77704.516 0 179.05550389368108 6.7470417 356 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 243475.02 0 404.1037504816566 6.7487497 357 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 93227.02 0 341.10784945223566 6.7492 358 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 62646.844 0 377.0850790905292 6.7492 359 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 566.1565289752311 6.7732 360 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 243.01754702128204 6.8341208 361 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 92595.97 0 549.1665078936674 6.8809843 362 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 196256.42 0 566.1567208219295 6.8828635 363 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 55485.113 0 503.16101714867375 6.8843307 364 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 56155.258 0 669.2088742149062 6.8851833 365 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 87175.25 0 337.077016568431 6.8977365 366 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 566.156561804381 6.9667916 367 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 223626.69 0 267.0713044932404 7.0074997 368 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 243.0175912669956 7.0202 369 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 539.1377776447937 7.053332 370 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 1007.3307357121904 7.0553904 371 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 145226.27 0 549.1666558285273 7.055967 372 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 86588.18 0 503.1611043196567 7.056547 373 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 270348.62 0 566.1567883782691 7.056547 374 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 50681.125 0 639.1984132458687 7.0575333 375 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 61002.23 0 376.10095579196246 7.0580783 376 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 61434.65 0 636.1987491589397 7.0582223 377 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 113475.54 0 669.2090822640757 7.059758 378 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 404.1037971182775 7.1490583 379 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 539.1376228314792 7.213836 380 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 341.10772029317184 7.2142 381 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 1007.3304722686656 7.2189083 382 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 503.1611182989061 7.224993 383 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 120499.29 0 566.1568050838798 7.232582 384 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 549.1666816899316 7.24799 385 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 243.01747958499703 7.2602334 386 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 54796.777 0 353.0719736718401 7.381283 387 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 728.2101972558147 7.3987937 388 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 69584.82 0 665.2143682537479 7.400247 389 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 331.11350343417365 7.46043 390 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 104941.78 0 154.06172597466596 7.46527 391 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 74747.6 0 711.219701545415 7.554122 392 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 665.2146918705007 7.555325 393 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 728.210304049564 7.558983 394 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 665.2144782338838 7.6589665 395 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 154.06169743269285 7.675626 396 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 131.08221250719097 7.6823187 397 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 521.3273246910464 7.6840444 398 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 57017.82 0 173.10395175344638 7.6845536 399 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 154.0616812406937 7.8202085 400 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 86059.195 0 145.0977860469393 7.8258553 401 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 401125.7 0 195.0503885530922 7.8264165 402 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 148693.64 0 165.0398028737673 7.828483 403 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 171.00600177800553 7.8455634 404 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 171.00592826118296 7.9485 405 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 154.06166983247007 7.98075 406 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 195.05045159730776 7.9821835 407 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 131.08210329472166 7.9839334 408 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 61292.188 0 333.0587423397049 8.207429 409 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 51219.33 0 158.97797888260817 9.841453 410 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 0.0 0 289.9483832120276 9.841567 411 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML 78968.875 0 272.9585951265392 9.841882 1 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 93.03385290447436 1.3726889 2 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 342.2282842200452 1.3893917 3 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 774.5279624210174 1.4256333 4 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 414.1218492977562 1.4882333 5 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 314.1968815601056 1.4933132 6 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 56365.457 0 201.0761274655518 1.533225 7 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 228826.58 0 217.10738466723123 1.5635065 8 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 93.04496836540216 1.59925 9 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 272.1496694202024 1.62595 10 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 802.5603771415259 1.6640555 11 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 52914.49 0 178.05023404461056 1.6760334 12 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 188.94898253557048 1.7026334 13 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 204.12365316668223 1.7026334 14 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 293.17860481195504 1.708019 15 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 776.5433957777306 1.751811 16 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 774.5288730138618 1.76045 17 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 309.1736714811531 1.7619792 18 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 353.1994786176988 1.798662 19 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 202.1078766798916 1.80035 20 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 397.22625990072027 1.8235583 21 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 108306.84 0 171.06571659654227 1.827863 22 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 69521.836 0 127.07591121213706 1.8292907 23 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 258.1340381334496 1.8461833 24 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 316.2126434271194 1.8711833 25 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 58139.37 0 89.0235512311677 1.8853583 26 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 244.11833914250303 1.8909167 27 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 194.08163019411083 1.92555 28 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 111.0194360568886 1.9417667 29 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 195386.67 0 167.03440596891804 1.9441166 30 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 216.1234363986188 1.9783 31 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 216.94379145047068 2.0031228 32 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 360.23881181531686 2.00415 33 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 99.00803117810024 2.0057502 34 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 470951.4 0 117.01877083220012 2.0078368 35 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 104873.984 0 73.0285860830186 2.0082808 36 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 530.2785104120919 2.0152998 37 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 318.02785704601115 2.0189166 38 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 437.21358469950616 2.0189166 39 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 315298.88 0 218.1031052887504 2.024331 40 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 88.03967650136562 2.0265 41 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 123619.33 0 742.5387858229274 2.043875 42 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 310753.62 0 716.522749977004 2.0675 43 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 66827.69 0 89.02355611082942 2.0678582 44 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 195.06571730541225 2.0697334 45 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 360.2388161045092 2.0765834 46 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 230.10263502127668 2.0879667 47 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 702.5076365968943 2.0886 48 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 246.99120909765568 2.0927222 49 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 243.13437202348544 2.0970666 50 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 602860.2 0 688.4919999607429 2.1007051 51 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 104088.07 0 660.4605446622179 2.128822 52 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 253098.28 0 201.07597957430923 2.177861 53 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 135731.44 0 222.0763033454145 2.181225 54 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 77267.64 0 153.01862959637714 2.22745 55 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 403.1241872745805 2.2475874 56 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 151.0395460357251 2.2482166 57 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 349.06927581920576 2.2494724 58 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 359.09750936117143 2.2495408 59 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 89.02367397714102 2.2499542 60 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 260.1495206114146 2.2600918 61 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 208.06051489951616 2.2895334 62 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 204569.56 0 229.1184198004067 2.297429 63 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 85756.8 0 285.0608566468509 2.3280666 64 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 206.04552680170684 2.3593166 65 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 241.0350635576058 2.3800666 66 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 566.3457974096141 2.42135 67 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 362.2442056064621 2.4242666 68 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 66845.57 0 160.03983663046114 2.44055 69 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 99866.8 0 161.0449419243981 2.48759 70 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 336.22903204045184 2.5179167 71 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 151.0606203206697 2.5271666 72 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 130398.25 0 459.1136845440237 2.5279167 73 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 687.5440678824715 2.5327036 74 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 165.0188311080946 2.5618834 75 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 659.5124284446764 2.5621688 76 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 631.4810305663648 2.60535 77 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 93570.99 0 246.134080266216 2.6086943 78 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 65214.258 0 229.0710375000464 2.619675 79 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 137893.89 0 215.1030108191725 2.6454399 80 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 365.1633183905246 2.64855 81 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 110487.46 0 187.0411037236024 2.6628668 82 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 115.02029022867096 2.6806 83 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 463.10876429689966 2.6806 84 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 194.04522665628 2.7020664 85 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 191.07267377279115 2.7035 86 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 189.05612915029147 2.703886 87 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 205.049599795934 2.7047243 88 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 478.29335782667874 2.7097 89 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 60897.83 0 245.04647653186083 2.7155416 90 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 217.0328329782935 2.7182 91 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 261.04062605310975 2.7182 92 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 63749.598 0 173.02576793846893 2.7202168 93 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 81359.39 0 205.0139200348532 2.7220578 94 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 55202.25 0 246.0437565312131 2.7296085 95 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 160054.75 0 203.0331934649314 2.7343335 96 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 247.03641790824423 2.7391334 97 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 478.29358068357527 2.7805529 98 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 450.26276122576456 2.7924333 99 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 450.2623329483288 2.8485205 100 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 905.5637132131336 2.8517332 101 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 52626.496 0 452.2774502174688 2.8579333 102 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 453.2809182724429 2.8586445 103 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 127664.04 0 305.0683101668419 2.86956 104 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 124456.76 0 187.04126450765307 2.8698082 105 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 417.1031486293373 2.8980167 106 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 553.1767620418868 2.8980167 107 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 56908.098 0 509.1503466515295 2.902425 108 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 513.2188948283712 2.9071333 109 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 101519.836 0 463.1090300636153 2.911446 110 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 61752.86 0 379.1606913172725 2.9115334 111 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 424.24667016223407 2.9308333 112 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 287.16088355963427 2.942675 113 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 151.02565353793702 2.960931 114 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 50526.74 0 89.023644609207 2.96735 115 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 135.03064799851376 2.9680166 116 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 299.0763710941055 2.999043 117 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 305.0693976881394 3.0389333 118 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 279.03816479439735 3.069239 119 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 495.11752787468345 3.0693083 120 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 66270.51 0 200.0559653389267 3.069594 121 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 347802.0 0 243.0615161475912 3.0696342 122 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 56871.375 0 254.0665093188214 3.081675 123 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 77608.82 0 441.161109644883 3.1197777 124 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 386.14498918221614 3.1430666 125 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 423.0946742362405 3.1635807 126 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 805.487208410837 3.1671333 127 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 808.5054019042612 3.1671333 128 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 1458628.1 0 431.1189294135333 3.212346 129 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 58786.336 0 494.1149903010408 3.2123778 130 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 769756.9 0 863.2466333941438 3.212346 131 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 201.08767626698824 3.2730463 132 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 181.07116378738937 3.2767832 133 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 105443.81 0 379.16044685174256 3.2937167 134 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 203468.42 0 425.1659360092301 3.2939835 135 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 415.13719069716257 3.2972667 136 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 54561.164 0 442.155774968465 3.2983918 137 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 105101.35 0 508.2029935900176 3.3033278 138 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 91579.79 0 233.0118147563065 3.30885 139 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 151227.08 0 128.0347547953409 3.3096147 140 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 227.95989955231545 3.3166084 141 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 279.0592001778712 3.3235333 142 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 338.10879131481295 3.3376334 143 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 427.12655414683854 3.3376334 144 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 510.1829772658847 3.34115 145 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 428.11891319497687 3.3887832 146 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 75392.33 0 283.0844953165966 3.3931668 147 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 299.076537947216 3.3932598 148 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 56043.21 0 188.0558698558908 3.4127185 149 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 233821.1 0 417.1031192578657 3.4173584 150 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 157.0137208641791 3.4216666 151 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 175.02426445945224 3.4216666 152 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 128.03483206810057 3.4975834 153 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 50722.844 0 389.107928268466 3.4981833 154 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 56320.574 0 181.0711946932322 3.499129 155 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 51116.582 0 167.07076991550073 3.5078166 156 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 72079.93 0 229.07116449741457 3.5078166 157 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 91669.07 0 224.05584246171915 3.5101979 158 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 194.04517579040763 3.5137749 159 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 323.980758793017 3.5185165 160 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 137084.42 0 417.1031244283464 3.5503209 161 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 126864.76 0 243.0504114435401 3.63265 162 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 265.08267086505225 3.6427999 163 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 57923.746 0 199.06057341944896 3.688 164 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 139848.38 0 356.134749942328 3.703332 165 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 62237.203 0 419.1298477158531 3.7040455 166 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 194.08204788413832 3.7056668 167 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 535.153498026724 3.7377152 168 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 662479.06 0 267.0728731788562 3.7380428 169 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 460.0941949935822 3.7703612 170 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 597.3036309634889 3.795014 171 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 595.2880331927124 3.8294923 172 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 569.272570164922 3.881628 173 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 443.1039304657232 3.904469 174 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 82152.305 0 460.0941466113717 3.9059274 175 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 609.1454009958121 3.9169166 176 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 92339.0 0 380.1555981491749 3.9310918 177 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 460.0942179014989 3.9996758 178 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 218829.69 0 174.04027048930095 4.0048795 179 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 154308.14 0 164.0712777998749 4.019053 180 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 95012.17 0 267.07236610771326 4.021375 181 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 243.06154493732188 4.062987 182 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 62685.473 0 130.08675740473896 4.075868 183 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 79356.06 0 438.1249847087367 4.075875 184 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 74716.44 0 255.0538490124228 4.1011667 185 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 69812.0 0 610.1254175638578 4.1743746 186 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 130.08674229975747 4.2527947 187 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 418505.9 0 438.12520688369233 4.313937 188 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 118319.94 0 157.03625348981768 4.3502917 189 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 543.1574238804784 4.3728666 190 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 151.0607771303458 4.3767834 191 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 173093.53 0 335.04897978800653 4.3777795 192 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 1125261.9 0 167.0207355171104 4.3789964 193 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 98445.2 0 421.1347911525265 4.3812447 194 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 131462.58 0 438.124941265219 4.395296 195 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 56350.184 0 203.082047588306 4.41425 196 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 282.0836542603278 4.5568447 197 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 628.1710371025724 4.55798 198 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 82218.984 0 144.04477615488602 4.564833 199 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 66505.13 0 188.034766919081 4.564833 200 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 524.1255615283701 4.6126666 201 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 367.104630367268 4.635317 202 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 135957.81 0 299.0802359566191 4.64185 203 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 732139.75 0 779.2247774857598 4.667946 204 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 210795.02 0 452.10414488542216 4.6702 205 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 67094.82 0 817.1808010064028 4.6849084 206 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 1327166.4 0 389.1080301124976 4.6864667 207 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 60420.598 0 569.1715496717898 4.696128 208 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 367.1047812773522 4.6997166 209 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 94932.37 0 432.0990540283325 4.797717 210 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 116.07132090455258 4.821183 211 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 68778.48 0 217.08229331545024 4.82535 212 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 129.01873958262698 4.8818 213 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 194.9962343263711 4.8943667 214 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 98712.1 0 114.05555697742427 4.9093885 215 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 210.08781467637203 4.9962997 216 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 468.1103896237901 5.018025 217 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 432.0989539075161 5.0298166 218 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 214844.89 0 181.0713761240362 5.0403976 219 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 112615.21 0 128.95890600082953 5.1037683 220 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 93072.875 0 296.8814541278168 5.105021 221 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 60659.523 0 380.84315282991287 5.1079917 222 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 310475.5 0 181.071272950755 5.1460285 223 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 101.02381629960816 5.1541 224 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 163.06056434534895 5.1541 225 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 499.0703057881917 5.163438 226 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 443.1038964799561 5.165685 227 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 369.1029343285206 5.1687927 228 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 86794.0 0 341.1079301552493 5.1698203 229 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 478132.84 0 415.1087980866248 5.1698203 230 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 459.13419593571984 5.17145 231 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 460.09400170064487 5.1739388 232 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 457.1193800823472 5.174943 233 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 432.0990695220266 5.181081 234 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 154551.53 0 166.01720005515804 5.214 235 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 432.0989800342522 5.3009253 236 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 415.1086843110904 5.315473 237 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 405.0798284861695 5.3195 238 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 451.0281055733943 5.331683 239 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 382.0996065037789 5.385739 240 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 96796.73 0 432.09896431613015 5.3880396 241 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 415.1085318941266 5.389007 242 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 145.01354159582584 5.389917 243 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 515.1248383471799 5.3930335 244 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 405.0796264643786 5.393487 245 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 80579.516 0 424.03098378026766 5.456037 246 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 82967.52 0 367.1047873594568 5.4570303 247 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 412.0307193028139 5.458311 248 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 176.05600561949558 5.4596334 249 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 101.02411049907369 5.461233 250 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 182621.03 0 187.1083709787572 5.461539 251 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 405.1022514486804 5.463267 252 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 69837.62 0 129.01861385255603 5.4634666 253 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 86218.15 0 147.0294478207034 5.464097 254 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 387997.38 0 305.0172190765626 5.476954 255 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 165045.16 0 111.0194704191449 5.477995 256 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 217.0824040021517 5.5011115 257 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 277.05565971217914 5.5685334 258 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 196.0720240373712 5.58455 259 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 75089.95 0 551.1614849862333 5.6060915 260 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 55184.03 0 283.10253817634674 5.7462 261 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 156.02736476117448 5.758633 262 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 248.9600051669244 5.7871222 263 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 118.05035977699346 5.8386555 264 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 98913.555 0 259.0907503601495 5.8413315 265 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 78814.81 0 460.1664679318693 5.8587503 266 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 62870.703 0 265.0472798894507 5.858887 267 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 271.00329828652764 5.8667593 268 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 215510.53 0 124.00674032888124 5.8679786 269 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 162223.83 0 466.1233082645099 5.868708 270 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 101006.516 0 118.05014916974848 5.9411335 271 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 351.066157153057 5.955333 272 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 164.03809929373168 5.9858584 273 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 239868.16 0 347.07438732956035 6.0060782 274 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 84655.35 0 223.04523296205983 6.0157833 275 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 60151.363 0 147.02954730833488 6.016025 276 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 143193.56 0 196.06061180570688 6.016033 277 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 100746.56 0 203.1031963567522 6.0169616 278 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 387635.34 0 573.1586869662842 6.0181003 279 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 153.86829758795886 6.0183167 280 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 96308.836 0 160.8416075252179 6.020707 281 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 93705.195 0 162.83880315898347 6.0247035 282 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 68950.76 0 567.1328594557078 6.026056 283 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 164.83651664061142 6.028525 284 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 341.1080752584267 6.030564 285 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 369.1302497421924 6.031767 286 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 67356.74 0 380.0857909089604 6.0329294 287 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 1032963.5 0 377.0853877019091 6.0334697 288 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 178013.61 0 195.81007549199188 6.043524 289 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 89939.01 0 85.0288472850776 6.044833 290 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 351.08799735586126 6.0465736 291 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 349.0902138225881 6.0477557 292 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 222698.27 0 197.8074497387195 6.054078 293 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 113821.61 0 199.80439376830344 6.0627675 294 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 255.8216864715141 6.079925 295 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 257.81861162176403 6.079925 296 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 98337.21 0 281.08741257016163 6.1120167 297 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 567.1324168546579 6.1245666 298 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 276927.25 0 377.0854177368436 6.134367 299 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 119897.28 0 127.05073512031956 6.165503 300 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 484215.53 0 145.06137850885108 6.168286 301 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 94940.36 0 313.1124922125512 6.1688643 302 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 1087168.1 0 487.1775502317557 6.17469 303 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 118054.83 0 341.10795982306786 6.1759744 304 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 85.02886994359115 6.17615 305 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 73988.05 0 161.04505752833575 6.177401 306 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 179.05560208522587 6.178625 307 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 129184.71 0 404.1037571904742 6.1822033 308 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 683.2247494213096 6.185875 309 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 61782.48 0 533.1351576222935 6.1863747 310 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 337.076704021333 6.2700667 311 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 285.0815198256679 6.274747 312 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 131.04576483269466 6.279371 313 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 65842.21 0 473.1622238214856 6.294035 314 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 85656.04 0 230.1140651678797 6.3078 315 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 56102.324 0 85.02880262464393 6.31735 316 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 231.05892086463408 6.3180666 317 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 314.1243286941705 6.3269167 318 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 105840.12 0 446.151054532339 6.3333964 319 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 369.1298211998426 6.3335333 320 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 88567.445 0 341.10795574462634 6.3776975 321 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 86073.95 0 161.04510410260008 6.3806043 322 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 145292.97 0 683.2247429059362 6.3815837 323 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 216977.25 0 404.1038655823881 6.382323 324 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 377.0853176704404 6.3833137 325 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 221.06585296417336 6.3838334 326 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 63184.984 0 179.05543279200992 6.383917 327 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 102.05554943706493 6.4241996 328 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 128.0348326127384 6.425373 329 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 852.2605059727284 6.42592 330 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 372785.84 0 146.0453959072269 6.429987 331 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 541.1171038177423 6.431733 332 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 82018.08 0 223.04526313136947 6.4318833 333 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 522963.78 0 488.1618629347416 6.4328423 334 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 57325.992 0 179.05555411847763 6.4345336 335 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 130193.89 0 511.1430137507941 6.439658 336 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 112614.56 0 533.1351540532298 6.439658 337 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 467.1167526783238 6.439775 338 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 188224.61 0 377.0853413433481 6.4412994 339 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 431.1042339825117 6.4426746 340 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 719.2019545797923 6.442898 341 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 1521457.2 0 341.1080955681797 6.457898 342 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 4905383.5 0 387.1136618915369 6.457898 343 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 69977.52 0 683.2249539098053 6.4584427 344 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 390.1218790278056 6.4588284 345 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 119832.08 0 729.2302300017724 6.4595413 346 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 50605.188 0 446.15107530207285 6.461315 347 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 473.16252597984845 6.473417 348 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 447.1374213141028 6.47365 349 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 662258.2 0 404.1039498471663 6.4754333 350 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 179.05550223928677 6.5288167 351 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 377.0852297507381 6.6390166 352 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 214.04814591062063 6.6682 353 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 306.07624420267746 6.683367 354 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 165.03984875364597 6.7459664 355 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 67336.945 0 179.05550389368108 6.7470417 356 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 177629.36 0 404.1037504816566 6.7487497 357 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 341.10784945223566 6.7492 358 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 377.0850790905292 6.7492 359 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 566.1565289752311 6.7732 360 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 243.01754702128204 6.8341208 361 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 70899.77 0 549.1665078936674 6.8809843 362 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 164452.62 0 566.1567208219295 6.8828635 363 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 503.16101714867375 6.8843307 364 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 669.2088742149062 6.8851833 365 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 62778.76 0 337.077016568431 6.8977365 366 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 566.156561804381 6.9667916 367 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 170131.75 0 267.0713044932404 7.0074997 368 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 243.0175912669956 7.0202 369 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 539.1377776447937 7.053332 370 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 1007.3307357121904 7.0553904 371 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 184203.12 0 549.1666558285273 7.055967 372 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 107741.016 0 503.1611043196567 7.056547 373 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 347371.66 0 566.1567883782691 7.056547 374 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 639.1984132458687 7.0575333 375 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 157718.97 0 376.10095579196246 7.0580783 376 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 636.1987491589397 7.0582223 377 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 106174.19 0 669.2090822640757 7.059758 378 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 404.1037971182775 7.1490583 379 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 539.1376228314792 7.213836 380 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 341.10772029317184 7.2142 381 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 1007.3304722686656 7.2189083 382 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 73818.82 0 503.1611182989061 7.224993 383 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 185723.92 0 566.1568050838798 7.232582 384 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 66740.59 0 549.1666816899316 7.24799 385 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 243.01747958499703 7.2602334 386 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 98031.84 0 353.0719736718401 7.381283 387 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 728.2101972558147 7.3987937 388 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 665.2143682537479 7.400247 389 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 331.11350343417365 7.46043 390 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 59827.953 0 154.06172597466596 7.46527 391 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 711.219701545415 7.554122 392 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 665.2146918705007 7.555325 393 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 728.210304049564 7.558983 394 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 665.2144782338838 7.6589665 395 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 154.06169743269285 7.675626 396 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 55112.27 0 131.08221250719097 7.6823187 397 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 521.3273246910464 7.6840444 398 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 86493.26 0 173.10395175344638 7.6845536 399 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 154.0616812406937 7.8202085 400 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 54157.59 0 145.0977860469393 7.8258553 401 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 195.0503885530922 7.8264165 402 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 165.0398028737673 7.828483 403 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 171.00600177800553 7.8455634 404 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 171.00592826118296 7.9485 405 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 154.06166983247007 7.98075 406 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 195.05045159730776 7.9821835 407 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 131.08210329472166 7.9839334 408 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 333.0587423397049 8.207429 409 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 158.97797888260817 9.841453 410 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 0.0 0 289.9483832120276 9.841567 411 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML 61240.83 0 272.9585951265392 9.841882 1 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 93.03385290447436 1.3726889 2 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 342.2282842200452 1.3893917 3 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 774.5279624210174 1.4256333 4 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 414.1218492977562 1.4882333 5 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 314.1968815601056 1.4933132 6 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 201.0761274655518 1.533225 7 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 217.10738466723123 1.5635065 8 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 93.04496836540216 1.59925 9 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 272.1496694202024 1.62595 10 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 802.5603771415259 1.6640555 11 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 178.05023404461056 1.6760334 12 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 188.94898253557048 1.7026334 13 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 204.12365316668223 1.7026334 14 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 293.17860481195504 1.708019 15 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 776.5433957777306 1.751811 16 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 774.5288730138618 1.76045 17 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 309.1736714811531 1.7619792 18 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 353.1994786176988 1.798662 19 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 202.1078766798916 1.80035 20 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 397.22625990072027 1.8235583 21 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 171.06571659654227 1.827863 22 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 127.07591121213706 1.8292907 23 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 258.1340381334496 1.8461833 24 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 316.2126434271194 1.8711833 25 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 89.0235512311677 1.8853583 26 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 244.11833914250303 1.8909167 27 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 194.08163019411083 1.92555 28 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 111.0194360568886 1.9417667 29 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 167.03440596891804 1.9441166 30 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 216.1234363986188 1.9783 31 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 216.94379145047068 2.0031228 32 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 360.23881181531686 2.00415 33 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 99.00803117810024 2.0057502 34 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 117.01877083220012 2.0078368 35 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 73.0285860830186 2.0082808 36 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 530.2785104120919 2.0152998 37 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 318.02785704601115 2.0189166 38 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 437.21358469950616 2.0189166 39 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 218.1031052887504 2.024331 40 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 88.03967650136562 2.0265 41 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 742.5387858229274 2.043875 42 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 716.522749977004 2.0675 43 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 89.02355611082942 2.0678582 44 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 195.06571730541225 2.0697334 45 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 360.2388161045092 2.0765834 46 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 230.10263502127668 2.0879667 47 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 702.5076365968943 2.0886 48 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 246.99120909765568 2.0927222 49 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 243.13437202348544 2.0970666 50 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 688.4919999607429 2.1007051 51 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 660.4605446622179 2.128822 52 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 201.07597957430923 2.177861 53 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 222.0763033454145 2.181225 54 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 153.01862959637714 2.22745 55 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 403.1241872745805 2.2475874 56 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 151.0395460357251 2.2482166 57 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 349.06927581920576 2.2494724 58 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 359.09750936117143 2.2495408 59 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 89.02367397714102 2.2499542 60 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 260.1495206114146 2.2600918 61 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 208.06051489951616 2.2895334 62 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 229.1184198004067 2.297429 63 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 285.0608566468509 2.3280666 64 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 206.04552680170684 2.3593166 65 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 241.0350635576058 2.3800666 66 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 566.3457974096141 2.42135 67 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 362.2442056064621 2.4242666 68 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 160.03983663046114 2.44055 69 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 161.0449419243981 2.48759 70 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 336.22903204045184 2.5179167 71 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 151.0606203206697 2.5271666 72 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 459.1136845440237 2.5279167 73 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 687.5440678824715 2.5327036 74 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 165.0188311080946 2.5618834 75 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 659.5124284446764 2.5621688 76 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 631.4810305663648 2.60535 77 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 246.134080266216 2.6086943 78 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 229.0710375000464 2.619675 79 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 215.1030108191725 2.6454399 80 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 365.1633183905246 2.64855 81 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 187.0411037236024 2.6628668 82 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 115.02029022867096 2.6806 83 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 463.10876429689966 2.6806 84 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 194.04522665628 2.7020664 85 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 191.07267377279115 2.7035 86 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 189.05612915029147 2.703886 87 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 205.049599795934 2.7047243 88 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 478.29335782667874 2.7097 89 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 245.04647653186083 2.7155416 90 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 217.0328329782935 2.7182 91 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 261.04062605310975 2.7182 92 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 173.02576793846893 2.7202168 93 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 63826.914 0 205.0139200348532 2.7220578 94 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 246.0437565312131 2.7296085 95 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 203.0331934649314 2.7343335 96 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 247.03641790824423 2.7391334 97 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 478.29358068357527 2.7805529 98 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 450.26276122576456 2.7924333 99 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 450.2623329483288 2.8485205 100 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 905.5637132131336 2.8517332 101 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 452.2774502174688 2.8579333 102 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 453.2809182724429 2.8586445 103 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 305.0683101668419 2.86956 104 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 187.04126450765307 2.8698082 105 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 417.1031486293373 2.8980167 106 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 553.1767620418868 2.8980167 107 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 509.1503466515295 2.902425 108 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 513.2188948283712 2.9071333 109 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 463.1090300636153 2.911446 110 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 379.1606913172725 2.9115334 111 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 424.24667016223407 2.9308333 112 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 287.16088355963427 2.942675 113 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 151.02565353793702 2.960931 114 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 89.023644609207 2.96735 115 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 135.03064799851376 2.9680166 116 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 299.0763710941055 2.999043 117 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 305.0693976881394 3.0389333 118 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 279.03816479439735 3.069239 119 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 495.11752787468345 3.0693083 120 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 200.0559653389267 3.069594 121 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 243.0615161475912 3.0696342 122 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 254.0665093188214 3.081675 123 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 441.161109644883 3.1197777 124 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 386.14498918221614 3.1430666 125 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 423.0946742362405 3.1635807 126 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 805.487208410837 3.1671333 127 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 808.5054019042612 3.1671333 128 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 431.1189294135333 3.212346 129 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 494.1149903010408 3.2123778 130 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 863.2466333941438 3.212346 131 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 201.08767626698824 3.2730463 132 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 181.07116378738937 3.2767832 133 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 379.16044685174256 3.2937167 134 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 425.1659360092301 3.2939835 135 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 415.13719069716257 3.2972667 136 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 442.155774968465 3.2983918 137 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 508.2029935900176 3.3033278 138 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 233.0118147563065 3.30885 139 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 128.0347547953409 3.3096147 140 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 227.95989955231545 3.3166084 141 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 279.0592001778712 3.3235333 142 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 338.10879131481295 3.3376334 143 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 427.12655414683854 3.3376334 144 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 510.1829772658847 3.34115 145 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 428.11891319497687 3.3887832 146 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 283.0844953165966 3.3931668 147 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 299.076537947216 3.3932598 148 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 188.0558698558908 3.4127185 149 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 417.1031192578657 3.4173584 150 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 157.0137208641791 3.4216666 151 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 175.02426445945224 3.4216666 152 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 128.03483206810057 3.4975834 153 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 389.107928268466 3.4981833 154 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 181.0711946932322 3.499129 155 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 167.07076991550073 3.5078166 156 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 229.07116449741457 3.5078166 157 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 224.05584246171915 3.5101979 158 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 194.04517579040763 3.5137749 159 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 323.980758793017 3.5185165 160 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 417.1031244283464 3.5503209 161 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 243.0504114435401 3.63265 162 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 265.08267086505225 3.6427999 163 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 199.06057341944896 3.688 164 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 356.134749942328 3.703332 165 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 419.1298477158531 3.7040455 166 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 194.08204788413832 3.7056668 167 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 535.153498026724 3.7377152 168 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 267.0728731788562 3.7380428 169 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 460.0941949935822 3.7703612 170 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 597.3036309634889 3.795014 171 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 595.2880331927124 3.8294923 172 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 569.272570164922 3.881628 173 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 443.1039304657232 3.904469 174 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 460.0941466113717 3.9059274 175 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 609.1454009958121 3.9169166 176 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 380.1555981491749 3.9310918 177 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 460.0942179014989 3.9996758 178 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 174.04027048930095 4.0048795 179 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 164.0712777998749 4.019053 180 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 267.07236610771326 4.021375 181 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 243.06154493732188 4.062987 182 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 130.08675740473896 4.075868 183 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 438.1249847087367 4.075875 184 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 255.0538490124228 4.1011667 185 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 610.1254175638578 4.1743746 186 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 130.08674229975747 4.2527947 187 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 438.12520688369233 4.313937 188 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 157.03625348981768 4.3502917 189 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 543.1574238804784 4.3728666 190 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 151.0607771303458 4.3767834 191 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 335.04897978800653 4.3777795 192 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 167.0207355171104 4.3789964 193 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 421.1347911525265 4.3812447 194 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 438.124941265219 4.395296 195 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 203.082047588306 4.41425 196 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 282.0836542603278 4.5568447 197 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 628.1710371025724 4.55798 198 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 144.04477615488602 4.564833 199 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 188.034766919081 4.564833 200 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 524.1255615283701 4.6126666 201 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 367.104630367268 4.635317 202 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 299.0802359566191 4.64185 203 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 779.2247774857598 4.667946 204 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 452.10414488542216 4.6702 205 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 817.1808010064028 4.6849084 206 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 389.1080301124976 4.6864667 207 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 569.1715496717898 4.696128 208 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 367.1047812773522 4.6997166 209 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 432.0990540283325 4.797717 210 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 116.07132090455258 4.821183 211 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 217.08229331545024 4.82535 212 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 129.01873958262698 4.8818 213 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 194.9962343263711 4.8943667 214 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 114.05555697742427 4.9093885 215 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 210.08781467637203 4.9962997 216 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 468.1103896237901 5.018025 217 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 432.0989539075161 5.0298166 218 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 181.0713761240362 5.0403976 219 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 128.95890600082953 5.1037683 220 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 296.8814541278168 5.105021 221 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 380.84315282991287 5.1079917 222 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 181.071272950755 5.1460285 223 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 101.02381629960816 5.1541 224 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 163.06056434534895 5.1541 225 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 499.0703057881917 5.163438 226 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 443.1038964799561 5.165685 227 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 369.1029343285206 5.1687927 228 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 341.1079301552493 5.1698203 229 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 415.1087980866248 5.1698203 230 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 459.13419593571984 5.17145 231 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 460.09400170064487 5.1739388 232 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 457.1193800823472 5.174943 233 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 432.0990695220266 5.181081 234 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 166.01720005515804 5.214 235 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 432.0989800342522 5.3009253 236 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 415.1086843110904 5.315473 237 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 405.0798284861695 5.3195 238 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 451.0281055733943 5.331683 239 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 382.0996065037789 5.385739 240 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 432.09896431613015 5.3880396 241 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 415.1085318941266 5.389007 242 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 145.01354159582584 5.389917 243 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 515.1248383471799 5.3930335 244 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 405.0796264643786 5.393487 245 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 424.03098378026766 5.456037 246 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 367.1047873594568 5.4570303 247 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 412.0307193028139 5.458311 248 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 176.05600561949558 5.4596334 249 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 101.02411049907369 5.461233 250 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 187.1083709787572 5.461539 251 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 405.1022514486804 5.463267 252 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 129.01861385255603 5.4634666 253 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 147.0294478207034 5.464097 254 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 305.0172190765626 5.476954 255 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 111.0194704191449 5.477995 256 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 217.0824040021517 5.5011115 257 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 277.05565971217914 5.5685334 258 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 196.0720240373712 5.58455 259 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 551.1614849862333 5.6060915 260 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 283.10253817634674 5.7462 261 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 156.02736476117448 5.758633 262 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 248.9600051669244 5.7871222 263 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 118.05035977699346 5.8386555 264 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 259.0907503601495 5.8413315 265 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 460.1664679318693 5.8587503 266 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 265.0472798894507 5.858887 267 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 271.00329828652764 5.8667593 268 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 124.00674032888124 5.8679786 269 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 466.1233082645099 5.868708 270 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 118.05014916974848 5.9411335 271 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 351.066157153057 5.955333 272 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 164.03809929373168 5.9858584 273 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 347.07438732956035 6.0060782 274 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 223.04523296205983 6.0157833 275 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 147.02954730833488 6.016025 276 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 196.06061180570688 6.016033 277 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 203.1031963567522 6.0169616 278 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 573.1586869662842 6.0181003 279 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 153.86829758795886 6.0183167 280 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 160.8416075252179 6.020707 281 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 162.83880315898347 6.0247035 282 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 567.1328594557078 6.026056 283 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 164.83651664061142 6.028525 284 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 341.1080752584267 6.030564 285 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 369.1302497421924 6.031767 286 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 380.0857909089604 6.0329294 287 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 377.0853877019091 6.0334697 288 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 195.81007549199188 6.043524 289 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 85.0288472850776 6.044833 290 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 351.08799735586126 6.0465736 291 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 349.0902138225881 6.0477557 292 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 197.8074497387195 6.054078 293 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 199.80439376830344 6.0627675 294 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 255.8216864715141 6.079925 295 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 257.81861162176403 6.079925 296 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 281.08741257016163 6.1120167 297 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 567.1324168546579 6.1245666 298 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 377.0854177368436 6.134367 299 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 127.05073512031956 6.165503 300 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 145.06137850885108 6.168286 301 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 313.1124922125512 6.1688643 302 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 487.1775502317557 6.17469 303 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 341.10795982306786 6.1759744 304 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 85.02886994359115 6.17615 305 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 161.04505752833575 6.177401 306 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 179.05560208522587 6.178625 307 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 404.1037571904742 6.1822033 308 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 683.2247494213096 6.185875 309 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 533.1351576222935 6.1863747 310 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 337.076704021333 6.2700667 311 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 285.0815198256679 6.274747 312 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 131.04576483269466 6.279371 313 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 473.1622238214856 6.294035 314 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 230.1140651678797 6.3078 315 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 85.02880262464393 6.31735 316 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 231.05892086463408 6.3180666 317 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 314.1243286941705 6.3269167 318 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 446.151054532339 6.3333964 319 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 369.1298211998426 6.3335333 320 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 341.10795574462634 6.3776975 321 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 161.04510410260008 6.3806043 322 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 683.2247429059362 6.3815837 323 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 404.1038655823881 6.382323 324 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 377.0853176704404 6.3833137 325 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 221.06585296417336 6.3838334 326 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 179.05543279200992 6.383917 327 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 102.05554943706493 6.4241996 328 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 128.0348326127384 6.425373 329 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 852.2605059727284 6.42592 330 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 146.0453959072269 6.429987 331 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 541.1171038177423 6.431733 332 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 223.04526313136947 6.4318833 333 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 488.1618629347416 6.4328423 334 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 179.05555411847763 6.4345336 335 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 511.1430137507941 6.439658 336 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 533.1351540532298 6.439658 337 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 467.1167526783238 6.439775 338 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 377.0853413433481 6.4412994 339 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 431.1042339825117 6.4426746 340 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 719.2019545797923 6.442898 341 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 341.1080955681797 6.457898 342 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 387.1136618915369 6.457898 343 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 683.2249539098053 6.4584427 344 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 390.1218790278056 6.4588284 345 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 729.2302300017724 6.4595413 346 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 446.15107530207285 6.461315 347 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 473.16252597984845 6.473417 348 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 447.1374213141028 6.47365 349 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 404.1039498471663 6.4754333 350 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 179.05550223928677 6.5288167 351 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 377.0852297507381 6.6390166 352 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 214.04814591062063 6.6682 353 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 306.07624420267746 6.683367 354 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 165.03984875364597 6.7459664 355 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 179.05550389368108 6.7470417 356 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 404.1037504816566 6.7487497 357 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 341.10784945223566 6.7492 358 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 377.0850790905292 6.7492 359 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 566.1565289752311 6.7732 360 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 243.01754702128204 6.8341208 361 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 549.1665078936674 6.8809843 362 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 566.1567208219295 6.8828635 363 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 503.16101714867375 6.8843307 364 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 669.2088742149062 6.8851833 365 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 337.077016568431 6.8977365 366 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 566.156561804381 6.9667916 367 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 267.0713044932404 7.0074997 368 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 243.0175912669956 7.0202 369 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 539.1377776447937 7.053332 370 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 1007.3307357121904 7.0553904 371 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 549.1666558285273 7.055967 372 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 503.1611043196567 7.056547 373 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 566.1567883782691 7.056547 374 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 639.1984132458687 7.0575333 375 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 376.10095579196246 7.0580783 376 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 636.1987491589397 7.0582223 377 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 669.2090822640757 7.059758 378 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 404.1037971182775 7.1490583 379 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 539.1376228314792 7.213836 380 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 341.10772029317184 7.2142 381 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 1007.3304722686656 7.2189083 382 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 503.1611182989061 7.224993 383 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 566.1568050838798 7.232582 384 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 549.1666816899316 7.24799 385 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 243.01747958499703 7.2602334 386 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 353.0719736718401 7.381283 387 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 728.2101972558147 7.3987937 388 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 665.2143682537479 7.400247 389 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 331.11350343417365 7.46043 390 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 154.06172597466596 7.46527 391 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 711.219701545415 7.554122 392 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 665.2146918705007 7.555325 393 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 728.210304049564 7.558983 394 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 665.2144782338838 7.6589665 395 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 154.06169743269285 7.675626 396 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 131.08221250719097 7.6823187 397 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 521.3273246910464 7.6840444 398 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 173.10395175344638 7.6845536 399 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 154.0616812406937 7.8202085 400 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 145.0977860469393 7.8258553 401 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 195.0503885530922 7.8264165 402 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 165.0398028737673 7.828483 403 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 171.00600177800553 7.8455634 404 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 171.00592826118296 7.9485 405 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 154.06166983247007 7.98075 406 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 195.05045159730776 7.9821835 407 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 131.08210329472166 7.9839334 408 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 333.0587423397049 8.207429 409 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 158.97797888260817 9.841453 410 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 289.9483832120276 9.841567 411 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML 0.0 0 272.9585951265392 9.841882 nf_output/clustering/spectra_filtered.mgf0000644000000000000000000143572014767266356020032 0ustar rootrootBEGIN IONS SCANS=1 PEPMASS=93.03385 CHARGE=0 COLLISION_ENERGY=0.0 60.264633 51.0 113.052773 42.0 121.908226 21.0 124.733246 24.0 137.175186 24.0 161.08139 21.0 164.08754 25.0 166.249863 32.0 171.029373 20.0 179.653061 20.0 180.307053 35.0 201.444946 30.0 223.00119 23.0 225.20282 30.0 228.9673 22.0 234.080429 22.0 240.994583 28.0 268.653992 18.0 269.510193 18.0 278.171295 19.0 298.092743 32.0 300.128998 18.0 301.908569 25.0 303.246216 18.0 313.208221 22.0 316.432129 22.0 324.288696 20.0 366.56723 20.0 416.602356 17.0 419.964783 27.0 435.152588 20.0 450.478027 18.0 471.143585 17.0 480.475861 18.0 491.018219 21.0 798.969116 52.0 830.468628 27.0 1024.767578 25.0 1048.436646 22.000002 1057.593872 31.0 1114.887451 23.0 1155.464844 25.0 END IONS BEGIN IONS SCANS=2 PEPMASS=342.22828 CHARGE=-1 COLLISION_ENERGY=0.0 68.089233 26.0 71.012314 188.0 84.834312 95.0 88.039612 1491.0 89.043945 66.0 96.992523 160.0 114.016502 90.0 115.002876 796.0 116.930099 70.0 125.944237 40.0 132.031174 230.0 138.220016 40.0 158.023453 20.0 167.035019 18.0 180.996597 20.0 187.062317 18.0 192.101807 22.0 193.09346 18.0 226.217026 3469.496582 227.203278 2066.104736 228.205826 196.0 228.590317 40.0 229.210678 24.0 235.272491 28.0 254.252335 45.0 254.790237 28.999998 280.227997 108.0 281.233795 50.0 298.240204 1320.0 299.239838 343.0 300.240601 46.0 419.574707 23.0 532.73999 17.0 536.569946 18.0 609.288452 18.0 625.804993 18.0 668.239441 19.0 697.835083 25.0 1072.343262 23.0 1183.629272 24.0 END IONS BEGIN IONS SCANS=3 PEPMASS=774.52796 CHARGE=-1 COLLISION_ENERGY=0.0 62.34417 31.0 73.992989 23.0 74.020599 18.0 103.262009 53.0 116.924095 18.0 121.617592 18.0 145.920624 35.0 168.032455 18.0 169.052032 18.0 195.753616 19.0 206.053772 33.0 224.069382 73.0 226.993973 36.0 227.197937 123.0 228.20816 33.0 253.216583 4185.262695 254.222794 575.7771 255.23175 524.0 279.23111 52.0 281.244843 98.0 282.259399 36.0 344.031982 20.0 351.982391 17.0 389.202972 27.0 405.259735 20.0 423.28653 18.0 460.270569 42.0 461.292603 19.0 478.299805 163.0 479.299561 108.0 480.299896 39.0 480.331787 22.0 502.786957 22.0 567.036072 17.0 667.323914 19.0 669.455811 20.0 705.077881 20.0 714.507751 2667.330811 715.511597 829.257812 716.519165 1188.0 717.522888 466.0 729.463867 21.0 818.559509 18.0 834.521912 26.0 873.469727 18.0 956.796753 19.0 990.396545 20.0 996.694336 18.0 1170.354492 22.0 END IONS BEGIN IONS SCANS=4 PEPMASS=414.12185 CHARGE=-1 COLLISION_ENERGY=0.0 57.985554 22.0 66.001396 23.0 84.939125 113.0 88.038254 23.0 99.894768 20.0 99.926758 314.0 100.933372 1132.971924 116.928001 6482.0 117.928001 469.268707 118.929588 276.003021 125.96595 258.0 126.949776 405.0 152.949554 51.0 170.939087 398.0 170.955841 77.0 196.93689 87.0 198.183243 41.0 199.849518 121.0 203.104462 29.0 224.20372 75.0 225.202652 54.0 225.942871 26.0 231.012283 33.0 244.406387 48.0 255.119766 46.0 266.119537 60.0 282.113586 110.0 290.119659 53.0 291.123749 79.0 296.133514 63.0 308.131042 992.91626 309.133545 287.0 310.130951 92.0 316.102142 112.0 324.123047 114.0 335.117004 134.0 352.121979 644.0 353.129456 96.0 354.12384 69.0 368.088898 60.0 369.124298 75.0 385.701172 83.0 455.151855 39.0 584.324097 18.0 600.573425 21.0 610.052734 20.0 651.371216 20.0 672.598511 27.0 729.323853 21.0 1023.52771 18.0 1117.921265 37.0 END IONS BEGIN IONS SCANS=5 PEPMASS=314.19688 CHARGE=-1 COLLISION_ENERGY=0.0 70.029312 117.0 71.013634 998.0 88.039673 12725.725586 89.042641 835.0 90.042747 64.0 96.993111 1101.0 100.932823 124.0 114.020203 964.0 115.003098 5978.0 116.0084 122.0 116.927895 100.0 132.029449 1652.415283 180.176056 130.0 181.161163 197.0 197.193481 89.0 198.185776 23118.0 199.171524 13606.164062 199.849136 189.0 200.175491 1565.107422 200.854431 43.0 202.177536 126.0 224.201248 488.0 226.219086 178.0 227.219666 56.0 252.196793 1396.0 253.199219 248.0 270.206085 9754.0 271.209564 1765.0 272.216095 187.0 375.584961 18.0 398.57605 18.0 412.094299 22.0 415.128693 20.0 426.419373 18.0 528.47644 18.0 651.394104 23.0 931.727478 20.0 934.121033 21.0 1122.434204 18.0 1144.890259 17.0 END IONS BEGIN IONS SCANS=6 PEPMASS=201.07613 CHARGE=0 COLLISION_ENERGY=0.0 69.07238 137.0 75.006599 59.0 83.013527 78.0 85.028358 120.0 88.03727 66.0 99.00956 56.0 112.015709 502.0 113.023788 581.0 113.061646 88.418861 116.926796 57.0 127.074081 170.0 143.073532 84.0 153.054367 624.0 154.056442 128.0 155.034531 142.0 164.83432 59.0 494.085754 18.0 1033.524048 19.0 END IONS BEGIN IONS SCANS=7 PEPMASS=217.10738 CHARGE=-1 COLLISION_ENERGY=0.0 59.013363 746.0 61.023388 44.0 74.025162 63.0 81.037079 59.0 83.049492 148.0 85.064606 47.0 111.08609 219.0 113.097252 283.715302 116.922188 119.0 137.09964 283.0 139.075623 147.0 145.049774 166.0 155.107819 4146.937012 156.111084 447.0 157.086517 11623.0 158.090363 1184.0 258.828766 18.0 323.060028 26.0 599.286316 35.0 617.137512 17.0 909.429016 29.000002 END IONS BEGIN IONS SCANS=8 PEPMASS=93.04497 CHARGE=0 COLLISION_ENERGY=0.0 64.179321 22.0 67.964867 18.0 251.193512 30.0 269.879517 39.0 377.128021 20.0 425.694489 18.0 793.527527 21.0 978.630188 18.0 1022.699341 21.0 1155.061157 39.0 END IONS BEGIN IONS SCANS=9 PEPMASS=272.14967 CHARGE=0 COLLISION_ENERGY=0.0 59.73645 26.0 74.023888 163.0 79.959221 91.0 84.040794 56.0 85.943718 23.0 99.925949 43.0 102.055634 1585.810303 128.034225 1891.0 129.038162 117.0 142.122269 275.0 143.10817 1595.303345 146.044907 313.0 182.118561 93.0 183.942062 51.0 184.131241 93.0 184.169983 613.0 185.168777 189.0 198.110275 139.0 200.129852 97.865013 210.148544 303.0 216.122818 116.0 228.158859 467.0 229.161621 180.0 246.132462 39.0 401.555664 24.0 422.97937 21.0 450.984497 20.0 569.279602 22.0 591.920105 20.0 1099.804199 18.0 END IONS BEGIN IONS SCANS=10 PEPMASS=802.56038 CHARGE=-1 COLLISION_ENERGY=0.0 57.998756 31.0 72.995934 38.0 74.820656 24.0 75.009987 17.0 86.507248 20.0 90.031242 32.0 109.729439 18.0 116.926003 27.0 125.279289 18.0 133.462204 18.0 143.033249 19.0 157.015961 20.0 168.045593 64.0 185.656647 19.0 188.545151 17.0 201.843857 18.0 212.972626 20.0 221.932922 26.0 224.06929 84.0 253.215942 1872.0 254.219452 546.0 255.23291 236.0 279.236542 150.0 281.248413 3891.800537 282.252563 825.0 311.166779 21.0 312.288788 18.0 343.099884 18.0 357.437073 18.0 381.224091 30.0 382.235016 20.0 383.075226 19.0 389.207672 18.0 390.207184 18.0 417.242767 90.0 436.256653 18.0 452.278412 25.0 460.287262 70.0 478.289032 273.0 479.29306 100.0 480.313171 134.0 489.312805 25.0 506.324371 38.0 671.456238 37.0 741.532898 90.0 742.53894 3909.849609 743.543823 1657.0 744.551819 1370.597656 745.55426 526.407959 746.551453 59.0 759.499451 17.0 768.892029 18.0 774.537903 34.0 775.527893 18.0 776.534119 60.0 856.549316 18.0 941.565186 18.0 942.620056 19.0 979.606201 23.0 1050.736572 26.0 1090.693726 18.0 1141.062988 23.0 1196.597656 17.0 END IONS BEGIN IONS SCANS=11 PEPMASS=178.05023 CHARGE=0 COLLISION_ENERGY=0.0 65.041435 30.0 77.038605 259.0 96.020363 18.0 123.008041 41.0 132.044449 29.0 133.033112 30.0 134.061813 451.0 135.042831 52.0 135.062119 61.0 230.325699 18.0 359.123718 23.0 381.195221 19.0 554.266907 18.0 555.274658 34.0 605.963074 23.0 END IONS BEGIN IONS SCANS=12 PEPMASS=188.94898 CHARGE=0 COLLISION_ENERGY=0.0 83.931221 53.0 84.93766 235.0 87.00721 50.0 89.020569 80.0 98.953552 112.0 99.924919 681.0 100.933327 1046.235229 111.008766 284.0 116.92804 6364.17627 117.928856 836.345703 118.927284 217.0 126.948311 695.0 228.740143 19.0 269.961914 18.0 367.009369 18.0 744.567749 18.0 1184.670898 23.0 END IONS BEGIN IONS SCANS=13 PEPMASS=204.12365 CHARGE=0 COLLISION_ENERGY=0.0 70.377335 26.0 71.049896 727.0 72.045662 316.0 74.060768 392.0 92.999527 44.0 99.045296 311.0 101.061874 70.0 102.055359 1357.0 103.060333 66.0 113.946632 45.0 126.091324 103.0 146.082642 57.0 156.100677 62.0 171.949478 44.0 172.09581 59.0 172.948349 35.0 172.973373 31.0 286.936951 27.0 470.056213 18.0 870.578003 26.0 1076.571411 23.0 END IONS BEGIN IONS SCANS=14 PEPMASS=293.1786 CHARGE=-1 COLLISION_ENERGY=0.0 79.958771 106.0 89.024689 31.0 95.954269 49.0 96.959717 6581.0 97.962288 76.0 98.955544 203.0 100.013931 23.0 113.063408 18.0 119.512199 20.0 137.053711 18.0 140.384888 22.0 153.093079 22.0 166.061127 28.0 175.039032 21.0 183.014252 64.0 192.115356 48.0 197.033066 36.0 209.036499 23.0 220.150818 87.0 221.154282 349.0 222.159851 119.0 230.005081 25.0 236.104416 287.0 347.720825 28.0 458.211151 18.0 489.987549 18.0 617.934448 17.0 637.469116 19.0 828.603088 20.0 1050.771606 27.0 1075.694336 18.0 1082.772339 18.0 END IONS BEGIN IONS SCANS=15 PEPMASS=776.5434 CHARGE=-1 COLLISION_ENERGY=0.0 70.968117 17.0 89.294548 24.0 91.089684 21.0 96.970535 19.0 100.528801 17.0 112.884438 23.0 168.043655 77.0 224.064713 21.0 224.914291 22.0 225.072205 24.0 227.200577 142.0 227.962418 18.0 253.21756 2261.154541 254.221375 824.0 255.233917 864.845825 256.236481 93.0 281.247528 292.0 282.258698 54.0 311.162354 18.0 349.93634 18.0 369.560852 17.0 390.212555 17.0 391.228363 21.0 415.763947 17.0 431.832764 18.0 452.271484 36.0 460.277313 39.0 478.300446 62.0 479.289948 52.0 480.309387 171.0 481.324799 36.930767 578.074646 20.0 585.736389 20.0 614.476379 21.0 639.249695 31.0 647.463745 17.0 679.147827 33.0 688.489075 18.0 715.513245 520.0 716.521973 2437.0 717.525635 1226.245972 718.532776 186.0 719.530579 97.0 733.264282 22.0 END IONS BEGIN IONS SCANS=16 PEPMASS=774.52887 CHARGE=-1 COLLISION_ENERGY=0.0 50.561012 18.0 60.919415 56.0 61.989246 22.0 67.448601 18.0 81.9953 29.0 84.375786 18.0 104.411835 20.0 114.506111 17.0 136.460892 24.0 145.923523 22.0 145.948624 37.0 161.902512 18.0 166.887619 23.0 168.041229 101.0 199.292282 18.0 223.956223 18.0 224.069672 154.0 225.18898 54.0 227.198898 52.0 227.216507 24.0 253.216705 5796.523926 254.221832 975.0 255.233521 732.108093 279.2341 113.0 281.246002 257.0 282.260803 68.0 343.951141 27.0 389.197723 21.0 391.40921 18.0 443.254333 20.0 453.295166 22.0 460.292603 18.0 462.286926 18.0 478.293091 362.0 479.293823 49.0 643.412781 26.0 704.956482 22.0 714.50708 4034.012207 715.508301 1359.0 716.518433 1924.07312 717.520935 567.348083 729.276184 68.0 915.632446 31.0 END IONS BEGIN IONS SCANS=17 PEPMASS=309.17367 CHARGE=-1 COLLISION_ENERGY=0.0 79.95826 275.0 81.955742 69.0 95.951981 92.0 96.959732 5252.020508 97.959244 100.0 98.955688 300.829132 115.006935 18.0 122.976051 317.0 124.974426 31.0 125.978455 22.0 130.051682 53.0 138.965317 35.0 162.899963 27.0 169.564407 27.0 178.23439 33.0 183.012085 670.0 184.021103 95.0 197.019714 111.0 208.068375 18.0 212.048172 30.0 220.707748 20.0 226.074554 24.0 238.047424 18.0 248.219666 46.0 265.217529 18.0 268.170929 17.0 279.172821 19.0 513.30072 22.0 774.5177 36.0 776.539978 18.0 777.553894 19.0 801.543579 17.0 1018.535645 18.0 1148.643799 18.0 1195.807373 23.0 END IONS BEGIN IONS SCANS=18 PEPMASS=353.19948 CHARGE=-1 COLLISION_ENERGY=0.0 68.255104 45.0 79.958771 104.0 94.977852 41.0 95.951279 25.0 96.959473 2190.0 98.955971 151.0 122.02475 65.0 122.973686 210.0 123.982155 80.0 128.034805 25.0 128.574692 32.0 143.956528 25.0 166.698669 22.0 167.08316 19.0 183.084167 19.0 186.123749 26.0 192.119492 21.0 194.927444 25.0 211.026199 20.0 225.09166 18.0 235.197495 23.0 238.152237 18.0 245.082214 20.0 259.178162 20.0 261.880798 18.0 268.007843 40.0 275.078247 18.0 290.1474 17.0 299.676422 19.0 457.716766 30.0 635.708557 23.0 END IONS BEGIN IONS SCANS=19 PEPMASS=202.10788 CHARGE=-1 COLLISION_ENERGY=0.0 60.993805 59.0 74.024147 2659.0 75.029381 56.0 84.045013 59.0 89.023277 191.849808 97.064796 605.0 104.034439 615.0 113.096756 696.0 126.091728 227.0 128.107864 883.0 140.107452 2153.0 141.110306 258.0 154.086655 1514.0 155.088165 61.0 156.960922 47.022949 172.097641 2459.0 173.100479 328.0 174.106262 67.0 265.148254 151.0 266.159088 44.0 272.531891 18.0 305.037201 21.0 309.172424 77.0 311.170135 18.0 325.178711 18.0 326.180206 23.0 340.21991 25.0 353.188477 36.0 354.19809 18.0 358.088806 20.0 397.2211 18.0 415.238647 20.0 428.222198 19.0 430.227844 19.0 613.321289 18.0 800.540405 18.0 805.357788 20.0 814.273071 18.0 841.123108 24.0 906.639893 23.999998 992.654602 18.0 1050.724121 18.0 1055.734741 20.0 1077.538086 18.0 1084.562622 26.0 1084.820068 20.0 1150.775757 18.0 END IONS BEGIN IONS SCANS=20 PEPMASS=397.22626 CHARGE=0 COLLISION_ENERGY=0.0 58.284618 19.0 62.810207 40.0 79.956345 62.0 80.184494 19.0 96.959389 1033.0 98.957344 30.999998 102.337593 28.0 122.976746 59.0 123.984589 19.0 128.042725 44.0 129.10498 21.0 148.117355 19.0 150.129196 18.0 155.141159 20.0 160.893814 20.0 163.892944 18.0 180.892578 20.0 187.740433 28.0 225.07048 23.0 241.195801 31.0 242.992722 19.0 265.153046 86.0 267.144806 42.0 299.060089 29.0 300.205933 40.0 306.946777 31.0 309.242615 18.0 314.027771 20.0 324.554565 38.0 341.110931 18.0 353.342377 22.0 355.154144 22.0 605.354309 22.0 END IONS BEGIN IONS SCANS=21 PEPMASS=171.06572 CHARGE=0 COLLISION_ENERGY=0.0 50.675457 28.0 73.025993 20.0 83.120995 22.0 83.929565 59.0 84.926842 22.0 85.949509 37.0 111.082413 37.0 127.076256 7268.070312 128.078171 444.0 134.866501 71.0 136.863678 25.0 141.891739 27.0 215.210938 17.0 328.022064 23.0 339.194916 17.0 674.992859 25.0 942.093567 20.0 1001.945007 17.0 1093.289795 22.0 1110.739746 23.0 1122.375244 35.0 END IONS BEGIN IONS SCANS=22 PEPMASS=127.07591 CHARGE=0 COLLISION_ENERGY=0.0 55.997494 18.0 68.965523 19.0 68.996361 18.0 91.35817 29.0 98.936432 29.0 163.018509 21.0 167.352127 20.0 172.069061 17.0 193.633881 17.0 235.816071 19.0 236.10228 18.0 265.156036 17.0 267.140869 24.0 297.523865 21.0 309.183807 18.0 310.186127 18.0 311.159607 23.0 312.1763 18.0 353.193115 18.0 397.0177 19.0 420.249298 20.0 424.197021 22.0 506.505432 19.0 590.195557 18.0 688.124146 22.0 705.421997 20.0 715.527039 25.0 742.520386 18.0 791.145752 21.0 791.509888 25.0 852.463501 23.0 951.511719 20.0 1025.746094 33.0 1034.765747 22.0 1154.651123 28.0 END IONS BEGIN IONS SCANS=23 PEPMASS=258.13404 CHARGE=0 COLLISION_ENERGY=0.0 59.011715 37.0 69.032555 52.0 71.012436 172.0 88.03907 1075.0 89.038376 59.0 96.993523 91.0 114.023048 174.0 115.002563 212.0 132.028778 128.0 142.122864 1765.674072 143.105545 396.614288 143.130539 207.385712 160.886169 52.0 168.140778 39.0 169.149734 41.0 173.027039 44.0 183.065491 202.0 193.052032 45.0 214.144775 684.976501 215.147232 68.0 227.056808 191.0 231.910477 52.0 352.715546 27.0 353.555725 24.0 END IONS BEGIN IONS SCANS=24 PEPMASS=316.21264 CHARGE=0 COLLISION_ENERGY=0.0 57.385292 22.0 73.051758 22.0 74.02404 1371.0 74.498131 22.0 75.02597 70.0 99.085739 25.0 111.08271 59.0 113.938629 40.0 122.031776 32.0 130.09198 22.0 142.123474 70.0 149.002167 23.0 156.065872 257.0 156.895905 33.0 170.118317 138.0 184.136826 65.0 198.153107 54.0 199.854187 38.0 210.187149 68.0 226.019684 22.0 226.171951 38.0 229.159714 80.0 246.019089 43.0 247.796265 27.0 256.120972 22.0 259.823669 33.0 270.071106 23.0 270.207947 98.0 271.215118 58.0 284.77063 22.0 351.156494 21.0 362.020691 18.0 441.25882 17.0 714.479248 22.0 895.624573 38.0 995.431458 18.0 1037.799805 22.0 1176.664062 20.0 1180.636597 21.0 END IONS BEGIN IONS SCANS=25 PEPMASS=89.02355 CHARGE=0 COLLISION_ENERGY=0.0 58.108818 20.0 116.931381 57.0 118.954865 28.0 175.051941 23.0 181.700836 63.0 190.945358 17.0 191.013412 17.0 198.936981 17.0 242.098236 24.0 265.142517 18.0 269.072906 18.0 297.151489 22.0 311.161316 62.0 319.226196 18.0 325.178711 18.0 339.19751 139.0 342.199829 18.0 345.167786 18.0 353.251251 28.0 400.124329 18.0 409.374817 22.0 425.106659 20.0 434.155731 22.0 441.344574 18.0 487.283356 25.0 508.246826 43.0 552.342407 18.0 578.289795 19.0 670.297546 17.0 725.422119 20.0 738.311218 23.0 740.398315 19.0 778.432556 18.0 800.100647 18.0 820.47406 24.0 832.360962 28.0 859.513367 32.0 953.483887 18.0 1070.718628 18.0 1150.668945 18.0 END IONS BEGIN IONS SCANS=26 PEPMASS=244.11834 CHARGE=0 COLLISION_ENERGY=0.0 59.013458 72.0 74.024094 154.0 83.92627 63.0 84.048409 74.0 98.024178 48.0 99.925461 1510.0 102.056084 840.0 114.09214 269.0 115.076202 666.851379 127.958061 662.0 128.0345 1059.0 137.941711 185.590607 153.941055 49.0 155.951523 4049.0 156.139999 444.0 156.952209 503.0 157.952118 186.0 182.121506 139.0 200.128845 396.0 203.083984 289.0 214.109924 191.0 282.932831 20.0 295.34845 20.0 300.138763 33.0 311.172974 59.0 312.17395 28.0 323.171356 25.0 339.200073 265.0 340.199097 74.0 369.228577 17.0 412.207245 18.0 437.220367 24.0 439.113647 18.0 469.133392 22.0 485.275085 18.0 503.177094 17.0 519.371826 18.0 529.311401 18.0 781.284607 21.0 797.547913 30.0 798.517761 18.0 809.575195 17.0 861.352722 21.0 880.504578 18.0 959.429932 24.0 1020.439148 40.0 1036.953491 18.0 1068.754028 24.0 1145.591919 28.0 END IONS BEGIN IONS SCANS=27 PEPMASS=194.08163 CHARGE=0 COLLISION_ENERGY=0.0 58.030235 73.0 91.053001 55.0 92.041496 36.0 92.052094 44.0 93.031876 43.0 96.017494 36.0 107.050621 102.0 122.03772 995.60376 123.044868 3371.0 124.049576 327.0 133.056534 68.0 135.043274 257.0 152.071793 39.0 160.842239 159.0 162.84079 56.0 220.871979 17.0 235.265869 18.0 1047.397583 18.0 1059.388062 17.0 1189.776123 23.0 END IONS BEGIN IONS SCANS=28 PEPMASS=111.01944 CHARGE=0 COLLISION_ENERGY=0.0 52.637676 18.0 58.193268 24.0 65.013924 20.0 68.994652 121.0 76.675987 20.0 85.542801 23.0 1127.849487 24.0 1133.016602 18.0 1175.79541 20.0 END IONS BEGIN IONS SCANS=29 PEPMASS=167.03441 CHARGE=-1 COLLISION_ENERGY=0.0 77.0401 235.0 81.033409 422.0 93.03463 1580.0 94.037964 280.0 95.01355 230.0 95.049049 676.0 108.020889 1816.0 109.029091 1626.0 121.029335 3979.0 122.036606 1498.60498 123.044441 10386.94043 240.865051 20.0 314.014496 25.0 717.5625 46.0 1181.453735 31.0 1191.687378 18.0 END IONS BEGIN IONS SCANS=30 PEPMASS=216.12344 CHARGE=0 COLLISION_ENERGY=0.0 57.033749 67.0 71.051262 104.0 72.043945 87.0 74.024033 2224.998779 83.049278 49.0 89.02356 111.0 116.929276 81.0 126.93132 83.57933 128.108429 314.0 133.072983 47.0 142.12355 64.0 146.083557 72.0 153.092239 191.0 156.101822 135.0 170.118851 202.0 171.103867 83.458549 172.133774 68.0 END IONS BEGIN IONS SCANS=31 PEPMASS=216.94379 CHARGE=0 COLLISION_ENERGY=0.0 71.01413 392.791077 71.049667 349.0 73.029976 231.0 88.040337 2451.0 89.043045 174.0 99.04361 308.0 100.93367 1274.499878 110.954933 640.0 116.070717 257.953644 116.9282 4392.191406 117.929146 703.0 146.081451 2487.0 154.944656 998.0 155.943878 192.0 156.950272 84.0 170.936249 55.0 172.952957 125.0 270.688538 39.0 292.198425 27.0 END IONS BEGIN IONS SCANS=32 PEPMASS=360.23881 CHARGE=0 COLLISION_ENERGY=0.0 57.034565 22.0 69.030525 18.0 72.048653 21.0 74.023651 1837.0 84.042923 20.0 99.081024 45.0 111.084991 47.0 123.080559 72.0 137.088364 27.0 139.111786 51.0 141.053345 27.0 143.052521 22.0 156.139542 85.0 159.891602 84.0 177.035736 27.0 184.133865 477.0 185.138794 108.0 194.114731 31.0 208.173264 57.250923 214.144699 231.0 224.158035 38.0 227.181442 24.0 242.172928 23.0 243.106812 32.0 268.01889 40.0 271.118469 20.0 278.203735 20.0 280.219849 24.0 290.104767 22.0 291.199188 20.0 315.134796 21.0 316.246368 18.0 336.01825 24.0 665.409973 18.0 END IONS BEGIN IONS SCANS=33 PEPMASS=99.00803 CHARGE=0 COLLISION_ENERGY=0.0 209.682343 19.0 325.176483 39.0 480.367523 22.0 730.576294 20.0 732.738159 26.0 742.539917 18.0 1041.680298 17.0 1043.762085 17.0 1045.742554 22.0 1068.706543 18.0 1087.657837 20.0 1171.744629 17.0 1183.810181 17.0 END IONS BEGIN IONS SCANS=34 PEPMASS=117.01877 CHARGE=-1 COLLISION_ENERGY=0.0 73.028679 25461.794922 73.160156 62.0 74.032127 785.0 75.034897 169.0 153.786102 20.0 161.460251 23.0 197.944168 25.0 218.102997 86.0 266.149139 18.0 279.229889 84.0 281.240753 55.0 297.151855 23.0 311.168304 278.0 312.177917 22.0 313.168182 41.0 325.184631 145.0 326.192322 65.0 339.20166 38.0 526.130188 30.0 546.285828 20.0 547.223389 18.0 663.29541 18.0 714.502625 229.0 715.506409 142.0 716.520813 281.0 742.539368 252.0 743.545471 68.0 744.547852 83.0 756.552917 17.0 757.536194 18.0 764.309326 26.0 779.453857 18.0 782.488403 19.0 787.341858 21.0 818.46521 20.0 828.453125 18.0 881.520996 18.0 925.378662 18.0 929.494751 24.0 933.580261 18.0 935.633362 29.0 936.656677 22.0 943.319336 21.0 960.648132 18.0 963.321228 20.0 988.617859 21.0 1028.689331 18.0 1030.707642 20.0 1036.344116 22.0 1045.4552 17.0 1056.717529 41.0 1127.627441 20.0 1141.716309 18.0 1181.670288 23.0 END IONS BEGIN IONS SCANS=35 PEPMASS=73.02859 CHARGE=0 COLLISION_ENERGY=0.0 51.444027 18.0 115.997398 23.0 117.019203 62.0 119.218109 18.0 133.922592 18.0 134.895828 21.0 154.42363 22.0 182.988144 25.0 205.010162 22.0 221.159363 38.0 265.162628 36.0 266.154907 65.0 279.23053 71.0 281.249634 145.0 293.177551 35.0 297.153625 108.0 311.168823 612.216309 312.174896 94.0 313.170288 42.0 325.184479 884.0 326.189331 52.0 339.196259 133.0 353.205719 60.0 372.048676 19.0 417.204681 18.0 427.109039 22.0 438.088287 18.0 439.122284 18.0 457.056885 18.0 457.346069 21.0 460.287445 67.0 478.311371 41.0 497.078766 22.0 498.11908 39.0 513.298889 32.0 525.275452 31.0 533.99823 18.0 537.25885 22.0 551.206177 30.0 554.271973 21.0 583.210693 23.0 602.278748 19.0 614.451965 21.0 630.223083 20.000002 631.196716 18.0 637.377869 19.0 648.27533 18.0 669.30658 23.0 671.065979 23.0 676.357849 31.0 687.383423 56.0 688.503418 29.0 689.502625 68.0 714.510803 260.0 716.523132 910.606812 740.529785 261.0 742.539062 1481.0 743.545349 649.0 744.55188 199.0 754.339661 20.0 755.241028 28.0 756.619751 62.253807 757.595154 30.0 771.114685 21.0 774.545349 22.0 816.449646 30.0 828.507568 36.0 839.481934 27.0 842.470398 56.0 844.473694 35.0 846.587097 24.0 854.53186 20.0 875.4245 24.0 879.471619 32.0 882.55188 22.0 883.546265 38.0 895.447388 25.0 901.47168 24.0 905.535828 25.0 907.678162 26.0 913.656433 51.0 918.484375 27.0 927.483521 36.0 954.228271 17.0 981.713013 20.0 994.430725 18.0 997.484131 20.0 998.730042 18.0 1015.649902 38.0 1035.711304 26.000002 1040.371948 30.0 1040.724731 37.0 1041.697388 25.0 1044.692261 22.0 1054.736206 97.0 1056.722168 41.0 1057.732178 38.0 1066.732666 41.0 1068.718506 36.0 1070.762573 42.0 1107.302368 20.0 1110.860718 17.0 1137.395752 32.0 1138.465332 18.0 1140.747192 18.0 1163.875977 20.0 1171.642334 23.0 1192.46521 23.0 END IONS BEGIN IONS SCANS=36 PEPMASS=530.27851 CHARGE=-1 COLLISION_ENERGY=0.0 87.387146 18.0 119.048286 43.0 119.236732 21.0 141.061737 17.0 151.015305 27.0 169.999176 55.0 183.012787 790.008545 184.015808 45.0 185.009003 63.0 198.035965 65.0 200.023666 18.0 201.93782 17.0 211.036896 21.0 211.61351 18.0 240.084213 20.0 247.20517 22.0 254.100403 18.0 267.02774 18.0 282.0867 18.0 306.60675 69.0 311.168488 21368.990234 312.171814 4965.088867 313.168396 1353.0 313.296051 57.761162 314.168304 276.0 350.144348 18.0 381.28125 18.0 410.152008 24.0 447.896332 40.0 494.172882 26.0 741.461609 18.0 END IONS BEGIN IONS SCANS=37 PEPMASS=318.02786 CHARGE=0 COLLISION_ENERGY=0.0 71.051971 73.0 72.0532 27.0 79.956131 84.0 84.9356 38.0 96.956924 39.0 99.92585 106.0 100.933189 378.0 116.928635 2579.452637 117.92981 186.697083 120.996971 159.0 125.960503 95.0 126.949043 94.0 155.951294 148.0 170.941437 109.0 187.963684 115.0 198.948624 144.412796 199.169968 947.0 199.938461 87.0 208.006866 302.0 212.009979 188.942932 233.987488 123.0 236.000443 219.0 236.997116 98.0 238.016998 529.0 251.996338 616.0 252.996399 237.0 254.009323 149.450897 282.007385 351.0 283.006653 72.0 291.076141 76.473259 372.91745 26.0 END IONS BEGIN IONS SCANS=38 PEPMASS=437.21358 CHARGE=0 COLLISION_ENERGY=0.0 71.013527 332.0 71.048599 189.0 88.040024 5637.084961 89.041176 176.0 90.045776 43.0 99.041962 75.0 116.035423 20.0 116.069412 23.0 146.081741 4253.0 147.085678 355.0 148.089142 47.0 148.427811 20.0 152.080338 18.0 153.610504 24.0 167.046951 18.0 174.028992 23.0 199.945999 39.0 218.103287 23191.355469 218.13826 31.0 218.172714 70.0 219.106262 2818.218506 220.109604 257.0 221.042343 40.0 274.03006 21.0 300.013672 18.0 325.180237 24.0 331.235718 21.0 347.984344 28.0 355.089539 18.0 368.510376 22.0 374.249542 18.0 380.106506 25.0 383.053894 26.0 391.220581 25.0 465.533325 18.0 1063.951416 38.0 END IONS BEGIN IONS SCANS=39 PEPMASS=218.10311 CHARGE=-1 COLLISION_ENERGY=0.0 71.013367 1649.0 71.04969 4030.0 72.051559 305.0 88.039757 16422.646484 89.042938 658.0 99.044601 2166.856445 100.934044 670.0 116.071602 1303.404785 116.928131 2333.450439 129.05513 424.0 146.081543 19037.910156 147.084595 1411.464233 151.024109 40.0 154.943619 536.0 155.943192 66.0 164.813629 30.0 269.118744 21.0 297.151337 28.0 312.17157 18.0 316.984253 20.0 325.180176 47.0 340.205902 18.0 373.039948 30.0 457.224274 18.0 689.478577 20.0 700.735291 22.0 714.472778 18.0 715.525085 21.0 741.544495 41.0 791.923889 18.0 935.612 20.0 END IONS BEGIN IONS SCANS=40 PEPMASS=88.03968 CHARGE=0 COLLISION_ENERGY=0.0 297.156464 18.0 714.506165 18.0 715.508423 17.0 716.534912 41.0 935.672607 21.0 1028.69043 24.000002 1033.702271 18.0 1055.738281 26.0 END IONS BEGIN IONS SCANS=41 PEPMASS=742.53879 CHARGE=-1 COLLISION_ENERGY=0.0 58.542057 18.0 78.959946 23.0 90.886002 18.0 96.967384 52.0 122.000977 25.0 140.011765 678.0 141.016144 55.0 152.9944 22.0 178.026489 52.0 196.038223 427.0 197.042511 18.0 198.047821 22.0 214.047897 26.0 228.640808 17.0 240.188034 20.0 279.232697 535.0 280.237183 261.0 281.248047 39281.613281 281.325043 326.0 282.250854 9056.928711 283.255402 1552.289551 307.265594 117.0 308.253815 25.0 309.280884 182.0 310.286438 43.0 311.16037 21.0 312.173157 41.0 404.257324 19.0 417.240173 20.0 436.502991 19.0 460.281891 604.237122 461.284515 119.0 462.306427 80.0 477.286499 39.0 478.295593 2004.0 479.293304 531.0 507.343231 22.0 604.278931 25.0 641.398499 18.0 659.40625 30.0 716.52002 38.0 763.477661 22.0 765.038269 18.0 780.135071 21.0 END IONS BEGIN IONS SCANS=42 PEPMASS=716.52275 CHARGE=-1 COLLISION_ENERGY=0.0 51.644894 24.0 56.440189 18.0 78.959061 86.0 84.775352 23.0 96.966003 110.0 119.319374 20.0 122.000778 90.0 139.955704 24.0 140.010742 1585.441895 141.01265 90.0 152.995026 52.0 178.02681 120.0 184.986176 19.0 196.037949 1015.0 197.040482 77.0 198.043228 25.0 201.951447 18.0 204.398849 18.0 214.053192 192.0 227.203323 54.0 248.827744 17.0 255.232697 19387.0 256.235596 4825.0 279.23288 5825.664551 280.23584 5168.0 281.248627 53521.03125 282.251526 13458.064453 306.256165 31.000002 311.175079 18.0 325.182922 38.0 330.985352 20.0 332.993073 21.0 339.188843 25.0 363.559021 20.0 364.051971 21.0 378.242004 35.0 391.238678 20.0 392.217834 20.0 398.242157 18.0 404.248566 108.0 433.233368 41.0 434.265076 802.0 435.26828 358.0 436.735229 22.0 446.561401 23.0 452.278717 4234.556641 453.28476 1425.0 454.289734 277.488831 460.279541 431.0 477.285339 141.0 478.290649 357.0 512.292786 22.0 527.682007 18.0 595.754456 21.0 611.435608 20.0 619.198059 18.0 686.475159 154.0 687.472839 41.0 688.48999 1080.0 689.49585 848.0 690.492126 162.0 691.487427 67.0 752.458069 25.0 787.398193 18.0 805.56842 18.0 843.395264 18.0 907.615845 28.0 930.593018 18.0 960.617859 23.0 968.349976 24.0 1002.625061 17.0 1028.677856 20.0 1065.693359 27.0 1136.567993 21.0 1149.727417 18.0 1162.796875 18.0 1178.816895 18.0 1184.082153 18.0 END IONS BEGIN IONS SCANS=43 PEPMASS=89.02356 CHARGE=0 COLLISION_ENERGY=0.0 52.566494 22.0 557.002136 47.0 648.372498 18.0 688.494751 112.0 689.497559 41.0 690.487122 20.0 691.488098 18.0 716.508484 18.0 717.526062 20.0 814.427368 18.0 929.578674 18.0 1001.689392 18.0 1002.678894 22.0 1031.647461 21.0 1150.621704 23.0 1154.769531 19.0 END IONS BEGIN IONS SCANS=44 PEPMASS=195.06572 CHARGE=0 COLLISION_ENERGY=0.0 67.015419 37.0 68.995255 23.0 82.039604 34.0 91.056824 82.0 93.031883 40.0 99.009468 22.0 106.042877 253.0 109.029442 185.0 119.048058 254.0 121.06591 1412.0 133.065445 490.0 149.058472 183.0 151.039322 66.0 165.056015 45.0 281.23645 18.0 453.182373 24.0 554.244873 18.0 686.461853 20.0 688.493286 55.0 689.486877 53.0 717.517761 20.0 742.542908 24.0 995.585083 22.0 1012.670288 28.0 1033.56958 23.0 1054.745361 18.0 1062.630249 21.999998 1129.737549 17.0 1142.858887 44.0 1144.715332 18.0 END IONS BEGIN IONS SCANS=45 PEPMASS=360.23882 CHARGE=-1 COLLISION_ENERGY=0.0 72.045517 61.0 73.028946 94.0 74.024147 3483.672607 75.025078 42.0 95.046181 44.0 99.083572 118.0 108.041161 20.0 113.679939 20.0 115.957001 31.0 117.016609 19.0 125.095856 81.0 129.090698 78.0 154.096207 24.0 156.139465 215.0 168.130417 26.0 184.133224 920.0 185.136963 140.0 186.15239 38.0 212.167175 45.0 214.144653 226.0 222.189774 197.0 228.163422 96.0 238.17923 37.0 240.160309 40.0 263.008911 53.0 270.868073 29.0 276.19223 27.0 278.219788 48.0 284.22229 46.0 298.244141 30.000002 303.229675 27.0 309.101929 30.0 314.240967 172.0 316.242462 42.0 702.521729 41.0 END IONS BEGIN IONS SCANS=46 PEPMASS=230.10264 CHARGE=0 COLLISION_ENERGY=0.0 71.012375 58.0 88.039543 1237.0 89.045044 66.0 96.994942 91.0 97.947731 35.0 98.951385 59.0 114.019203 99.0 114.091728 1785.602661 115.002533 588.0 115.076942 440.0 115.093643 94.937523 142.945084 163.0 151.041107 49.0 157.932938 37.0 161.894104 80.100777 168.103226 60.0 186.113235 292.0 186.937408 56.000004 END IONS BEGIN IONS SCANS=47 PEPMASS=702.50764 CHARGE=-1 COLLISION_ENERGY=0.0 108.689796 18.0 121.996468 35.0 230.892227 17.0 239.200638 45.0 240.206528 17.0 241.216888 435.0 242.224533 35.0 253.218613 1142.0 255.232758 480.0 267.233673 1346.0 268.234741 253.0 269.248901 331.0 281.249695 806.0 326.189911 20.0 340.208282 18.0 371.199799 17.0 420.258209 18.0 438.268372 93.0 446.265656 31.0 448.289246 51.0 452.289307 76.0 466.288116 168.0 467.314484 18.0 475.163269 18.0 476.103088 19.0 529.299011 21.0 END IONS BEGIN IONS SCANS=48 PEPMASS=246.99121 CHARGE=0 COLLISION_ENERGY=0.0 56.766346 18.0 65.53788 18.0 70.957191 20.0 91.672653 18.0 97.071396 27.0 107.012741 31.0 108.021156 1956.0 109.025475 54.0 110.027443 30.0 110.973648 125.0 114.953934 51.0 152.012665 865.507019 157.951447 108.0 167.034561 10541.720703 168.03862 1096.0 169.039902 78.0 180.907349 43.0 203.083878 30.0 205.155762 36.0 305.083282 25.0 325.181396 49.0 338.971588 25.0 452.297302 20.0 660.447449 22.0 686.462402 39.0 687.489624 54.0 688.500977 177.0 689.508667 54.000004 691.500854 18.0 702.06842 18.0 714.512207 18.0 716.52771 80.0 717.549744 39.0 1005.24646 18.0 1012.65741 19.0 END IONS BEGIN IONS SCANS=49 PEPMASS=243.13437 CHARGE=0 COLLISION_ENERGY=0.0 74.024384 73.0 83.928238 114.0 84.043915 70.0 87.009659 90.0 97.063133 82.0 99.924797 1580.0 109.040291 397.0 114.092476 1691.0 127.050125 1520.0 127.957924 671.0 128.035172 316.0 145.060974 1510.0 155.951263 4275.0 156.949814 384.447113 167.034988 106.0 181.134811 1756.580811 182.138977 140.0 199.144104 209.0 214.10434 57.000004 END IONS BEGIN IONS SCANS=50 PEPMASS=688.492 CHARGE=-1 COLLISION_ENERGY=0.0 78.959587 51.0 106.966682 26.0 140.012955 167.0 152.995026 17.0 178.027405 17.0 196.037598 229.0 197.038193 24.0 227.199951 181.0 228.204117 48.0 253.216095 7055.0 254.221512 1320.0 255.233047 2315.242188 256.235199 383.0 281.248383 576.0 282.25235 63.0 311.170837 18.0 396.194855 20.0 424.252625 20.0 432.250244 147.0 433.231812 26.0 434.264984 53.999996 435.26236 20.0 450.262787 19.0 452.279663 370.0 453.277588 109.999992 454.280884 19.0 473.276337 35.0 859.087463 20.0 END IONS BEGIN IONS SCANS=51 PEPMASS=660.46054 CHARGE=-1 COLLISION_ENERGY=0.0 96.968285 92.0 121.999138 18.0 140.011047 293.0 140.708649 20.0 152.992889 38.0 162.410324 23.0 178.03212 25.0 196.040039 201.0 197.046234 29.0 199.474136 19.0 215.054031 20.0 225.185944 1478.0 226.189117 358.0 227.201035 3410.0 228.203293 470.198578 231.84082 30.0 253.216309 11112.742188 254.221252 2166.037354 255.232315 636.0 256.236176 106.0 281.249969 60.0 282.247345 35.0 310.165558 20.0 406.236298 144.0 422.225891 44.0 424.247864 497.0 426.286224 38.0 432.249603 51.0 434.270477 94.0 451.255554 43.0 452.284912 85.0 453.278381 48.0 454.300598 22.0 573.029297 17.0 623.279114 20.0 714.50177 18.0 956.881287 18.0 1054.252075 19.0 END IONS BEGIN IONS SCANS=52 PEPMASS=201.07598 CHARGE=-1 COLLISION_ENERGY=0.0 59.011959 46.0 69.035088 107.0 85.030281 66.0 87.045761 118.0 95.050011 439.0 97.065193 189.0 109.064758 697.0 111.080841 5526.0 112.082954 303.728363 113.096184 1224.685181 115.039558 186.0 139.075119 1949.0 155.071213 1107.0 156.078018 101.0 157.086197 16232.415039 158.089676 1565.0 297.065704 25.0 326.198456 17.0 327.10968 21.0 356.621063 22.0 361.130554 24.0 662.474854 26.0 862.326721 20.0 950.799316 23.0 979.051086 26.0 994.532837 21.0 1174.396484 18.0 END IONS BEGIN IONS SCANS=53 PEPMASS=222.0763 CHARGE=-1 COLLISION_ENERGY=0.0 74.023903 4424.331543 75.028488 118.0 89.024185 83.0 91.054855 742.0 92.056686 131.0 94.980186 38.0 104.034348 14482.0 105.037888 684.562927 106.040321 101.0 117.033981 523.118652 148.076782 276.0 148.991165 101.061119 150.993774 54.0 160.077942 183.0 161.081314 67.0 174.054749 375.0 192.069077 241.0 193.067001 78.0 707.133179 22.0 END IONS BEGIN IONS SCANS=54 PEPMASS=153.01863 CHARGE=0 COLLISION_ENERGY=0.0 75.217575 18.0 79.440598 22.0 81.034256 63.0 89.02346 46.0 89.338112 18.0 91.018219 62.0 108.022217 858.0 108.046738 27.0 109.029091 4567.0 109.647926 38.0 110.031021 287.0 111.035133 56.0 212.684189 18.0 236.719681 18.0 246.074677 18.0 264.075775 18.0 339.195923 20.0 396.136139 18.0 443.342987 18.0 616.276428 24.0 634.429565 18.0 659.452881 18.0 905.299072 28.999998 935.371521 18.0 951.611084 18.0 966.275513 22.0 1005.698364 17.0 1054.4104 18.0 1076.580811 17.0 1122.442871 21.0 1161.581299 17.0 END IONS BEGIN IONS SCANS=55 PEPMASS=403.12419 CHARGE=-1 COLLISION_ENERGY=0.0 72.992645 64.0 87.01059 44.0 88.986496 37.0 89.023628 22029.0 90.026627 924.0 91.030258 109.0 100.932266 18.0 113.055893 21.0 115.077354 18.0 121.013245 18.0 125.056541 17.0 130.050201 40.0 151.041534 71.0 157.050049 21.0 160.027496 20.0 174.073883 35.0 177.128647 18.0 193.608002 18.0 214.052948 22.0 235.052841 18.0 237.041 21.0 239.934296 27.0 243.085648 45.0 271.170593 30.0 281.123627 18.0 282.044586 22.0 289.660583 22.0 299.14447 20.0 299.988068 18.0 316.182495 18.0 363.148499 18.0 570.662354 20.0 688.487732 54.0 689.489441 35.0 690.494446 18.0 714.503235 35.0 717.50946 18.0 771.52948 18.0 1003.599976 18.0 1056.629761 18.0 1080.743408 20.0 1121.662354 18.0 1158.801514 28.0 END IONS BEGIN IONS SCANS=56 PEPMASS=151.03955 CHARGE=0 COLLISION_ENERGY=0.0 78.963074 31.0 79.957932 26.0 89.027275 61.0 91.01889 55.0 92.026703 456.0 93.028656 36.0 107.010384 79.0 108.022209 219.0 109.029312 1784.616821 110.031197 71.0 121.032341 60.0 END IONS BEGIN IONS SCANS=57 PEPMASS=349.06928 CHARGE=-1 COLLISION_ENERGY=0.0 59.014599 100.321388 59.470383 17.0 71.01329 20.0 89.024605 93.0 96.962936 80.0 101.025414 130.0 102.024521 19.0 113.024498 24.0 125.090904 21.0 135.082092 20.0 136.018661 33.0 151.04007 1061.0 152.038193 21.0 159.049408 39.0 183.016647 25.0 185.116913 23.0 193.052383 28.0 202.049728 40.0 211.024994 24.0 213.993652 19.0 217.104462 28.0 218.133362 21.0 220.953979 18.0 251.134277 18.0 253.218002 18.0 261.153595 27.0 265.151947 22.0 269.153992 20.0 271.226532 18.0 305.211334 32.0 324.211884 20.0 END IONS BEGIN IONS SCANS=58 PEPMASS=359.09751 CHARGE=-1 COLLISION_ENERGY=0.0 72.009262 21.0 75.010948 25.0 92.027061 306.0 93.028358 153.114517 94.470169 20.0 95.011658 23.0 114.949768 52.0 122.031746 32.0 124.039253 23.0 126.082764 26.0 136.015411 1067.0 137.022034 44.0 150.989731 25.0 151.039322 20510.597656 151.700516 22.0 152.043854 2100.060791 153.048279 182.0 189.047653 35.0 200.734879 20.0 202.928955 62.0 207.04805 63.0 232.024475 24.0 239.075058 23.0 240.108002 62.0 257.859283 48.0 268.936951 17.0 272.840485 18.0 287.057495 18.0 298.143555 18.0 313.089478 146.0 314.098175 17.0 317.077942 18.0 322.08786 18.0 688.488586 97.0 690.51825 26.0 715.509827 18.0 716.521545 67.0 718.511902 25.0 799.240234 23.0 953.525696 22.0 1058.055908 17.0 END IONS BEGIN IONS SCANS=59 PEPMASS=89.02367 CHARGE=0 COLLISION_ENERGY=0.0 119.254684 17.0 166.058823 19.0 229.452927 18.0 641.29657 20.0 689.468933 17.0 690.509033 18.0 901.540894 17.0 1001.684387 18.0 1003.616211 18.0 1114.620117 20.0 1115.664917 18.0 1195.510986 20.0 END IONS BEGIN IONS SCANS=60 PEPMASS=260.14952 CHARGE=0 COLLISION_ENERGY=0.0 59.014069 20.0 68.605301 35.0 72.042389 59.0 72.955971 35.0 74.024414 1372.012207 75.031807 33.668919 113.067436 43.0 118.052132 74.0 128.109222 58.0 139.075119 55.0 142.126984 76.0 146.8992 73.943726 154.120163 96.0 160.892593 82.0 162.891479 85.0 170.116974 285.0 198.111877 226.0 198.141251 101.563385 202.977325 26.0 214.071533 24.0 216.123108 1984.642456 217.12738 183.0 218.125717 39.0 230.140457 41.0 297.157043 59.0 310.220032 44.0 311.166382 21.0 313.17276 18.0 319.122437 18.0 359.111328 24.0 360.540466 30.0 378.944885 17.0 379.074188 19.0 419.65564 17.0 511.950775 19.0 632.38678 21.0 665.268127 19.0 686.287903 17.0 686.473877 19.0 688.484924 115.0 689.480408 18.0 715.520325 26.0 717.503845 17.0 742.547363 20.0 783.441772 26.0 799.434021 18.0 826.497192 33.0 851.587769 24.0 879.320435 23.0 950.662842 18.0 986.524841 20.0 1014.692749 20.0 1112.670776 21.0 1133.428711 18.0 1164.704468 19.999998 END IONS BEGIN IONS SCANS=61 PEPMASS=208.06051 CHARGE=0 COLLISION_ENERGY=0.0 57.018703 22.0 63.93232 23.0 70.024094 21.0 77.038643 201.0 79.956528 42.0 81.428108 24.0 119.048119 481.0 120.046959 112.0 121.035149 87.0 134.060059 676.0 146.060059 1320.624023 147.064819 122.0 160.039093 325.0 161.043686 105.0 162.056381 142.0 167.080948 166.0 178.050674 986.806519 179.049026 103.0 229.118576 39.0 271.09201 20.0 296.593506 24.0 316.104706 26.0 341.016693 22.0 381.165192 18.0 390.270782 18.0 453.216339 28.0 459.206726 18.0 562.15033 24.0 565.222412 18.0 577.296448 18.0 618.15686 20.0 657.231384 18.0 714.502502 18.0 721.351257 18.0 742.516357 18.0 742.624451 25.0 743.156372 18.0 745.523804 32.0 764.51001 18.0 777.386169 20.0 786.408875 22.0 795.297729 20.0 804.27417 17.0 812.249084 18.0 923.400635 19.0 951.327026 17.0 1014.105652 19.0 1035.300659 22.0 1046.638306 17.0 1070.360962 20.0 1082.624268 18.0 1096.688599 18.0 1102.609985 18.0 1136.277832 17.0 1142.445435 19.0 1187.65332 18.0 1188.482666 20.0 1192.08252 25.0 END IONS BEGIN IONS SCANS=62 PEPMASS=229.11842 CHARGE=-1 COLLISION_ENERGY=0.0 72.043915 115.0 74.024712 103.0 82.027649 78.0 83.062386 76.0 96.938652 78.0 97.945221 133.0 100.07589 7281.998535 101.076668 720.645996 109.039986 702.772522 127.050537 5164.0 128.035233 827.075562 145.061203 972.413391 155.953094 265.0 156.895645 85.0 157.930206 82.0 167.118668 7948.601562 168.121674 988.885559 185.131317 647.849609 333.72702 18.0 360.956604 29.0 408.063324 23.0 733.418823 18.0 1019.576477 20.0 END IONS BEGIN IONS SCANS=63 PEPMASS=285.06086 CHARGE=0 COLLISION_ENERGY=0.0 59.012501 347.0 81.030952 61.0 91.055046 178.0 93.038139 74.0 95.052498 48.0 97.030045 447.0 109.065163 1082.929443 119.048477 197.0 135.045441 432.0 137.023712 353.0 137.059952 2572.0 138.061966 243.0 153.05423 105.0 155.95314 142.0 167.950333 60.0 181.050552 1049.0 182.058334 110.0 183.056564 43.0 201.058228 35.0 207.032928 38.0 211.108231 25.0 215.066437 24.0 225.043991 41.0 241.067352 37.0 261.8237 19.0 325.199005 24.0 390.029053 17.0 583.221558 20.0 674.35791 19.0 688.473206 19.0 750.32074 36.0 875.390015 18.0 922.596008 20.0 1183.349854 24.0 END IONS BEGIN IONS SCANS=64 PEPMASS=206.04553 CHARGE=0 COLLISION_ENERGY=0.0 51.294525 18.0 61.592976 31.0 73.034027 18.0 89.026787 18.0 91.052956 52.0 97.027718 20.0 118.030922 152.0 120.046371 90.0 134.026688 57.216835 134.059219 172.0 144.046097 249.0 147.031662 697.0 151.041122 125.0 159.891327 110.0 160.040543 316.0 162.055588 2840.0 163.059464 299.0 250.4561 23.0 267.400757 20.0 373.332184 17.0 431.086426 33.0 688.493652 28.999998 714.495728 37.0 975.626404 23.0 1028.713379 18.0 1055.733154 43.0 1069.894653 17.0 END IONS BEGIN IONS SCANS=65 PEPMASS=241.03506 CHARGE=0 COLLISION_ENERGY=0.0 59.015934 53.0 83.93222 115.0 87.044533 65.0 89.023003 83.0 91.054741 65.0 99.924576 979.0 100.926186 79.0 109.028267 100.0 111.965004 204.0 122.059052 93.0 125.962692 93.0 127.956253 628.0 153.057388 93.0 153.939011 102.814781 153.956726 112.265099 155.951797 3777.306396 156.953796 381.0 166.046768 168.0 277.164551 18.0 337.626221 19.0 354.287964 18.0 465.921326 20.0 540.317139 20.0 546.938171 55.0 554.23645 18.0 END IONS BEGIN IONS SCANS=66 PEPMASS=566.3458 CHARGE=-1 COLLISION_ENERGY=0.0 76.001785 18.0 96.054718 17.0 138.999817 17.0 152.997177 18.0 167.064545 17.0 208.936249 21.0 224.066986 18.0 247.582489 26.0 281.249634 1568.0 281.355774 20.0 282.253143 422.0 283.259033 147.0 297.165314 20.0 315.47345 17.0 325.184998 23.0 333.996002 17.0 337.182159 22.0 339.207794 35.0 395.085266 18.0 415.140198 29.0 422.927979 18.0 433.507446 42.0 434.183289 29.0 452.273285 19.0 461.26535 28.0 478.139099 23.0 500.977325 20.0 506.32663 656.0 507.332672 173.0 508.334961 43.0 513.84198 18.0 542.289001 17.0 673.47168 20.0 688.505493 17.0 689.469238 18.0 707.501465 20.0 715.505066 18.0 716.517761 18.0 720.509033 21.0 732.434082 23.0 771.504822 20.0 822.429382 32.0 908.679565 49.0 1040.644165 19.0 1074.662964 20.0 END IONS BEGIN IONS SCANS=67 PEPMASS=362.24421 CHARGE=-1 COLLISION_ENERGY=0.0 52.880749 22.0 57.078491 25.0 81.044006 186.0 82.842224 22.0 93.044716 85.0 94.047836 36.0 109.0355 43.0 110.072083 4917.849609 111.076683 292.355469 136.054962 120.0 137.034622 293.079742 145.550949 41.0 151.006882 26.0 154.061478 4764.023438 155.065125 228.0 156.064636 68.460396 158.087753 25.0 180.887115 39.0 202.928268 36.0 203.922958 62.0 211.124649 42.0 225.189865 655.549377 226.19136 65.0 247.034149 42.0 264.198853 450.0 267.2146 41.0 270.869995 37.0 271.869446 74.0 273.225708 35.0 274.233917 51.0 300.243988 434.0 300.871399 35.0 318.254517 828.0 319.258789 126.0 319.865265 25.0 445.847931 18.0 460.140228 18.0 465.342163 19.0 546.063538 24.0 660.337524 17.0 820.50885 18.0 1139.650146 18.0 END IONS BEGIN IONS SCANS=68 PEPMASS=160.03984 CHARGE=0 COLLISION_ENERGY=0.0 57.0331 136.0 59.009995 48.0 90.037071 45.0 91.016869 42.0 98.025162 77.0 99.044724 1048.183105 100.045555 65.0 101.022102 302.0 116.049934 448.0 117.036797 70.0 132.045349 224.000015 203.007111 21.0 216.637772 21.0 216.969116 20.0 239.184647 20.0 257.572693 18.0 265.909302 18.0 353.20755 23.0 608.688538 17.0 628.323792 18.0 1106.217529 20.0 END IONS BEGIN IONS SCANS=69 PEPMASS=161.04494 CHARGE=0 COLLISION_ENERGY=0.0 53.838558 21.0 57.033737 820.0 58.037548 24.0 59.013214 388.0 63.109039 22.0 99.044281 3174.84082 100.046997 248.0 101.024223 1231.816162 115.918022 59.0 117.055473 68.0 188.055374 28.0 206.611938 22.0 207.015671 18.0 223.09903 18.0 240.038757 37.0 241.069641 24.0 244.640991 20.0 263.341644 18.0 265.15329 25.0 272.066956 18.0 275.059448 18.0 276.664948 33.0 305.977631 20.0 325.185272 64.0 335.054291 18.0 370.487885 24.0 378.091858 20.0 397.081116 18.0 422.535004 18.0 430.769775 17.0 448.324036 20.0 450.119232 20.0 462.289978 25.0 556.224243 20.0 560.897339 18.0 567.299805 18.0 572.177734 43.0 577.152466 18.0 715.505981 17.0 727.353455 19.0 738.464233 18.0 749.968384 28.0 798.459595 18.0 874.274231 29.000002 914.497253 18.0 969.144348 18.0 980.273499 19.0 996.315735 32.0 999.425598 20.0 1044.576538 53.0 1088.633911 21.0 1141.604858 20.0 1143.559082 20.0 1143.713989 18.0 END IONS BEGIN IONS SCANS=70 PEPMASS=336.22903 CHARGE=-1 COLLISION_ENERGY=0.0 52.03154 18.0 74.723587 17.0 80.038544 18.0 81.046074 75.0 85.76712 20.0 93.045425 254.0 108.054504 37.0 110.071823 3942.0 111.076935 219.0 127.033203 26.0 137.033875 304.0 140.059952 30.0 154.061371 3122.534912 155.062546 215.0 183.011047 156.0 184.018036 78.0 198.186234 218.0 199.171097 549.725647 200.173874 38.0 230.997528 22.0 235.171768 24.0 238.183395 497.0 240.185135 23.0 247.224335 42.0 265.232483 46.0 274.228302 369.0 275.22406 57.0 290.216919 42.0 292.241028 846.0 293.237671 61.04398 417.53363 18.0 555.301636 19.0 588.351196 25.999998 688.550781 33.0 713.523926 18.0 714.561096 20.0 754.249512 17.0 772.509949 19.0 999.762695 17.0 1024.833984 18.0 1164.482422 24.0 END IONS BEGIN IONS SCANS=71 PEPMASS=151.06062 CHARGE=0 COLLISION_ENERGY=0.0 59.013359 527.0 71.013535 788.0 73.027306 255.0 84.017319 53.406097 85.027519 171.0 89.023773 578.072144 101.024361 508.0 102.0242 41.0 109.032089 90.709305 119.035995 35.0 131.030396 57.0 215.326218 20.0 418.258514 28.000002 688.498718 20.0 END IONS BEGIN IONS SCANS=72 PEPMASS=459.11368 CHARGE=-1 COLLISION_ENERGY=0.0 59.013321 413.0 67.910522 72.0 71.014183 480.0 85.027809 53.0 87.007149 106.991798 89.023766 832.0 101.025436 728.0 113.024063 325.0 119.035217 416.579254 119.046112 270.234833 121.028694 360.0 147.043304 475.0 161.043274 243.0 165.016663 49.0 165.055603 1218.0 166.058029 110.0 179.055527 109.0 191.036331 38.0 207.066864 137.0 210.988297 29.0 225.077682 379.0 226.080338 40.0 227.187164 23.0 243.185257 35.0 251.055618 1036.60376 252.06076 103.0 267.011963 42.0 269.066376 207.155228 270.075134 39.0 296.786102 25.0 311.164978 266.0 321.061432 38.0 322.950348 19.0 327.10733 37.0 333.021118 20.0 340.882538 26.0 369.106934 25.0 370.169434 20.0 371.097076 72.0 384.18924 25.0 389.11557 21.0 395.981842 23.0 417.118713 23.0 431.1185 501.0 432.132294 100.0 433.132263 63.0 436.6987 20.0 530.209839 22.0 536.275269 20.0 726.414429 20.0 751.157959 22.0 909.201904 20.0 964.645508 18.0 974.440613 18.0 977.553345 18.0 1006.554321 18.0 1022.114258 19.0 1022.600586 28.0 1037.344116 21.0 1055.694092 24.0 1073.855225 18.0 1197.654907 17.0 END IONS BEGIN IONS SCANS=73 PEPMASS=687.54407 CHARGE=-1 COLLISION_ENERGY=0.0 74.276794 23.0 75.719055 38.0 78.958801 359.0 79.28009 26.0 84.02227 45.0 89.726898 19.0 105.956642 18.0 128.034454 27.0 139.287003 22.0 140.011002 3991.0 141.007584 39.0 142.018799 20.0 151.570007 41.0 155.037216 18.0 196.044296 118.0 227.099167 20.0 227.127151 18.0 227.198029 41.0 239.065903 66.566071 240.051407 18.0 245.783615 18.0 251.187531 39.0 253.217133 2290.367432 254.21904 303.0 255.231339 591.561157 280.23645 37.0 281.246552 117.0 311.159088 18.0 312.309875 29.0 313.622223 18.0 325.182281 26.0 351.784424 31.0 365.219147 52.0 367.536346 20.0 424.242401 61.0 426.968109 20.0 432.246277 69.0 432.324585 18.0 434.253265 18.0 450.276093 51.0 452.269379 78.0 558.289185 18.0 563.382996 18.0 642.167969 18.0 713.536255 20.0 715.586487 22.0 729.028259 18.0 743.608521 18.0 802.655762 18.0 947.588501 29.0 1027.635498 19.0 1051.753052 31.999998 1082.739014 18.0 END IONS BEGIN IONS SCANS=74 PEPMASS=165.01883 CHARGE=0 COLLISION_ENERGY=0.0 67.022003 20.0 77.038521 1281.0 79.956093 99.0 87.009491 33.0 89.02108 21.0 95.332039 19.0 108.021034 26.000002 118.99427 23.0 121.028969 1437.0 122.036682 37.0 123.043106 82.0 137.02327 40.0 216.552124 24.0 222.536209 24.0 230.266953 23.0 230.953033 48.0 235.05661 23.0 235.82811 22.0 258.074341 30.0 259.003052 42.0 269.067535 22.0 283.013916 20.0 299.149109 18.0 300.131866 17.0 325.188263 29.0 328.185272 23.0 339.204315 18.0 340.361328 29.0 343.155975 37.0 351.071198 17.0 366.152618 22.0 381.151337 18.0 397.091064 20.0 458.151123 18.0 478.292542 52.0 521.199463 36.0 529.088623 21.0 544.897217 32.0 581.203979 18.0 584.378906 18.0 657.501282 22.0 659.504333 35.0 660.51825 17.0 687.540283 38.0 736.159485 21.0 742.542908 18.0 743.330383 22.0 799.487549 26.0 849.372559 18.0 977.415955 24.0 1000.705872 30.0 1028.77002 18.0 1035.588013 31.0 1085.603638 20.0 1099.720093 21.0 1123.314575 48.0 1179.826294 18.0 1182.748413 22.0 END IONS BEGIN IONS SCANS=75 PEPMASS=659.51243 CHARGE=-1 COLLISION_ENERGY=0.0 64.103355 18.0 73.037956 25.0 78.96051 685.0 81.272682 19.0 84.012489 19.0 99.243507 20.0 131.127899 18.0 140.011871 5799.975098 140.932541 20.0 141.013153 253.0 142.2603 23.0 144.561707 21.0 163.022369 35.0 164.939438 38.0 165.022171 39.0 166.056793 18.0 167.599457 18.0 226.185532 18.0 227.209076 20.0 227.969223 18.0 229.325241 20.0 253.215347 121.0 253.685196 18.0 254.228668 20.0 255.229691 35.0 278.951355 18.0 279.384644 18.0 310.857025 21.0 311.171295 22.0 311.293671 55.0 340.213531 20.0 354.079559 17.0 365.21521 98.0 367.175781 17.0 367.304321 48.0 408.040802 19.0 417.246185 18.0 433.249847 22.0 461.358673 20.0 477.349121 37.0 540.368591 20.0 582.248169 18.0 592.298035 18.0 598.444458 17.0 632.494873 27.999998 687.545227 180.0 701.565918 22.0 702.56012 24.0 713.558167 83.0 715.594177 29.0 717.527771 18.0 757.50293 17.0 775.540283 28.0 817.424683 44.0 854.791321 22.0 858.678894 19.0 885.249878 17.0 938.409607 22.0 955.727478 18.0 1003.801147 18.0 1073.03833 22.0 1084.391602 18.0 1120.031128 20.0 1122.012207 18.0 1140.856934 17.0 1152.819702 40.0 1154.808105 17.0 1154.87793 18.0 1182.895264 22.0 END IONS BEGIN IONS SCANS=76 PEPMASS=631.48103 CHARGE=-1 COLLISION_ENERGY=0.0 78.958801 146.0 87.572754 20.0 93.428169 18.0 126.055016 25.0 137.037109 18.0 140.0121 1668.0 140.410263 20.0 141.015488 117.0 144.059296 39.0 173.085495 18.0 194.06189 17.0 227.197372 20.0 265.15155 44.0 267.738037 17.0 281.248688 22.0 298.159088 31.0 365.213501 18.0 368.809692 17.0 398.233734 20.0 572.44751 18.0 588.456482 18.0 667.007568 20.0 779.445435 18.0 997.728088 23.0 END IONS BEGIN IONS SCANS=77 PEPMASS=246.13408 CHARGE=-1 COLLISION_ENERGY=0.0 72.046844 81.0 74.024391 3547.0 75.027107 117.0 95.051895 92.0 97.066574 233.599548 98.02018 44.0 100.92868 243.0 104.035362 1031.0 113.095909 169.0 123.080246 369.0 128.106445 421.0 141.092224 522.614685 156.103317 224.0 156.951431 278.49588 170.118713 468.0 172.132355 267.0 184.13443 2208.0 185.139328 403.0 216.123489 5485.0 217.12616 649.915161 267.955231 18.0 268.086823 18.0 269.062408 23.0 311.170135 20.0 325.188324 31.0 327.186432 21.0 331.099945 21.0 344.224945 29.0 347.065521 17.0 351.56604 17.0 368.055542 18.0 373.921204 20.0 399.10553 18.0 403.104797 36.0 404.148376 18.0 409.189026 22.0 409.968964 17.0 452.240051 21.0 467.156464 17.0 473.005676 26.0 527.131226 21.0 583.278931 20.0 657.499573 21.0 658.501404 21.0 659.503235 56.0 689.544495 20.0 693.136353 20.0 713.588257 28.0 715.537476 18.0 716.505737 25.0 721.364197 17.0 748.376343 18.0 787.497314 19.0 824.28949 18.0 828.353149 17.0 860.590393 31.0 872.395264 18.0 907.676147 20.0 914.851624 37.0 967.36853 17.0 1024.259155 24.0 1055.130859 18.0 1088.465332 22.0 1100.721436 25.0 1104.944458 17.0 1171.840576 18.0 END IONS BEGIN IONS SCANS=78 PEPMASS=229.07104 CHARGE=0 COLLISION_ENERGY=0.0 89.027458 42.0 94.042175 81.0 95.049225 317.0 97.946365 50.0 98.952278 55.0 99.924629 118.0 109.065689 181.0 111.081245 319.0 121.065521 1575.661499 123.080505 1315.0 141.088882 268.0 141.934555 364.0 155.071793 663.0 155.95311 206.783691 167.071167 2231.647949 168.072372 195.0 185.080566 233.0 199.062332 180.0 265.048798 17.0 284.038696 21.0 291.192535 18.0 309.103699 65.0 319.830048 18.0 320.076538 34.0 326.189941 23.0 339.200775 50.0 360.204956 19.0 403.759644 22.0 439.122528 37.0 465.174377 19.0 476.205902 24.0 494.214691 22.0 496.128601 21.0 515.192139 18.0 530.287781 18.0 548.157959 38.0 579.368774 18.0 643.465393 17.0 657.463074 24.0 659.525208 58.0 678.335999 18.0 685.53656 18.0 689.548035 27.0 861.346558 20.0 869.580139 18.0 885.588867 20.0 899.293579 18.0 900.390442 18.0 957.620667 24.0 973.392334 26.0 986.585022 18.0 993.652893 20.0 1011.638245 19.0 1023.275757 18.0 1031.404175 22.0 1081.303833 17.0 1112.463745 18.0 END IONS BEGIN IONS SCANS=79 PEPMASS=215.10301 CHARGE=-1 COLLISION_ENERGY=0.0 82.029068 114.0 84.043976 161.0 86.060165 5006.896484 87.043602 129.0 87.062897 293.0 99.04454 98.0 109.041267 607.0 126.091881 173.0 127.050781 3788.0 128.034866 487.266266 139.075134 240.0 145.061478 788.842285 153.102951 6294.0 154.103867 518.256653 155.109451 67.0 171.113663 379.261749 251.114517 32.0 271.42395 20.0 276.761108 18.0 330.268341 20.0 528.124756 21.0 540.379456 30.0 558.56311 24.0 590.210388 25.0 658.50592 18.0 674.534241 29.0 687.533875 17.0 1068.678467 33.0 1180.683228 20.0 END IONS BEGIN IONS SCANS=80 PEPMASS=365.16332 CHARGE=0 COLLISION_ENERGY=0.0 63.733475 27.0 71.010773 72.0 80.964233 3666.485107 81.159363 23.0 82.960953 148.0 90.988205 46.0 100.930275 22.0 133.05864 26.0 134.975174 249.76918 135.083191 21.0 139.354462 30.0 141.894882 36.0 150.928696 42.0 152.982559 44.0 154.982208 44.0 165.987579 40.0 178.964874 84.0 179.967178 48.0 204.830475 27.0 211.207336 25.0 223.048279 22.0 231.026672 23.0 231.964066 27.0 239.20282 29.0 250.028687 25.0 270.871002 31.0 272.638489 29.0 282.099518 28.0 296.124207 36.0 297.168213 36.0 321.175201 940.0 322.178558 78.0 323.177856 136.973724 324.177124 25.0 400.99469 17.0 414.830902 19.0 432.429962 18.0 565.250732 27.0 624.548218 19.0 660.524475 18.0 704.000793 18.0 901.500244 18.0 987.65509 18.0 1096.749634 18.0 1128.651978 23.0 1161.531494 20.0 END IONS BEGIN IONS SCANS=81 PEPMASS=187.0411 CHARGE=-1 COLLISION_ENERGY=0.0 55.746941 22.0 71.013405 250.0 85.027534 30.0 87.004791 134.0 89.025116 30.0 99.532631 31.0 100.933647 66.0 114.025253 1204.084839 115.020348 6847.495605 116.02211 213.0 117.027534 60.0 125.027084 115.0 208.367691 18.0 219.856567 17.0 222.368454 21.0 226.265732 17.0 228.058121 29.0 284.482666 17.0 291.853973 18.0 351.419098 17.0 384.109619 31.0 396.636414 20.0 424.624207 19.0 425.059113 26.0 436.283417 18.0 464.062958 21.0 469.218658 17.0 490.401367 20.0 500.092377 20.0 510.201233 18.0 516.147156 18.0 638.150391 18.0 639.96167 24.0 764.655762 17.0 859.892212 23.0 907.180603 18.0 1046.976196 26.0 1061.638672 34.0 1089.679321 18.0 1092.5271 20.0 1104.610107 17.0 1122.304688 18.0 1199.322266 23.0 END IONS BEGIN IONS SCANS=82 PEPMASS=115.02029 CHARGE=0 COLLISION_ENERGY=0.0 63.014889 18.0 63.044365 21.0 65.834099 18.0 76.797783 18.0 160.347458 21.0 167.46489 27.0 174.464005 21.0 187.489182 18.0 228.326889 30.0 279.995544 44.0 303.998108 25.0 335.100861 18.0 358.631714 34.0 367.357117 29.0 382.010284 20.0 474.426422 18.0 533.762146 24.0 559.945496 24.0 607.818848 20.0 727.412842 20.0 811.489624 20.0 878.064575 18.0 END IONS BEGIN IONS SCANS=83 PEPMASS=463.10876 CHARGE=0 COLLISION_ENERGY=0.0 59.01334 117.0 71.013969 167.0 73.033829 47.0 87.012993 46.0 89.023689 232.0 95.054733 56.0 101.026024 397.254974 113.02285 106.0 119.034714 224.0 121.028557 80.0 143.036133 112.0 149.024597 218.0 153.018738 253.0 161.025009 154.459976 167.032516 133.0 177.019653 387.0 179.055649 118.0 195.027725 102.0 205.012985 1272.0 206.016922 175.0 209.045593 110.713974 219.028641 133.0 223.025543 294.0 237.042908 290.0 255.050064 1205.0 256.054962 102.999992 257.059906 39.0 279.050079 45.0 281.255768 30.0 297.057281 185.0 307.058807 18.0 309.065186 32.0 318.996399 21.0 321.071716 20.0 344.063751 30.0 349.061554 20.0 356.981049 18.0 358.086578 18.0 363.964264 22.0 373.03537 21.0 388.693634 20.0 399.079437 20.0 417.104095 131.0 420.110565 21.0 423.001404 30.999998 END IONS BEGIN IONS SCANS=84 PEPMASS=194.04523 CHARGE=0 COLLISION_ENERGY=0.0 56.011806 55.19009 68.227875 85.0 74.023865 1184.0 75.03038 62.839615 93.034126 3385.897217 94.036118 81.0 100.003242 3242.600586 101.007561 179.0 117.008789 108.0 118.0308 59.0 132.046005 176.0 148.03981 193.0 150.055374 712.441223 216.365768 39.0 219.563644 18.0 227.161148 18.0 228.086243 18.0 251.857849 29.000002 257.902161 25.0 261.691895 23.0 277.848663 37.0 292.563171 25.0 295.069061 25.0 304.792572 20.0 306.475067 28.0 318.064392 20.0 320.04718 19.0 336.014374 19.0 339.196167 23.0 361.183411 17.0 373.056702 21.0 379.525085 18.0 380.53009 25.0 385.638397 18.0 389.692688 23.0 407.117126 17.0 417.088135 18.0 417.71524 26.0 423.017181 77.0 445.21814 21.0 457.318604 18.0 468.696503 23.0 478.302765 28.000002 482.956268 22.0 501.134918 35.0 508.797089 18.0 509.705048 18.0 516.094482 25.0 540.134155 26.0 585.227905 19.0 601.432373 18.0 622.019714 48.0 630.467834 25.0 636.168091 18.0 645.218018 29.0 656.09491 23.0 656.177856 22.0 657.497437 24.0 658.500061 20.0 688.496826 20.0 713.186218 21.0 718.543335 25.0 729.560547 25.0 739.047241 28.0 740.87616 20.0 764.225403 19.0 810.307251 20.0 822.202515 20.0 852.481628 25.0 856.493652 20.0 862.087708 29.0 862.690308 18.0 909.290894 21.0 993.207031 22.0 1031.535645 21.0 1063.318604 20.0 1064.381958 18.0 1080.621094 22.0 1081.061523 20.0 1101.527954 22.0 1107.270752 31.0 1110.156616 33.0 1136.173096 28.0 1146.633057 22.0 1174.070068 22.0 1178.28064 19.0 1188.089233 43.0 END IONS BEGIN IONS SCANS=85 PEPMASS=191.07267 CHARGE=-1 COLLISION_ENERGY=0.0 59.011768 110.0 71.012932 587.0 74.02327 258.0 89.021996 168.0 93.034836 724.558838 98.030067 125.0 100.00351 531.0 100.046364 126.0 101.04171 475.0 116.039909 1435.996216 117.036194 6809.96582 118.041748 447.001709 213.330521 25.000002 222.298523 20.0 223.275208 20.0 233.826187 23.0 242.131912 20.0 252.369949 17.0 254.19194 23.0 261.516754 22.0 295.760468 22.0 307.493408 24.0 311.400696 21.0 321.564209 33.0 390.675201 17.0 401.714966 18.0 404.606232 18.0 412.055573 24.0 440.491516 18.0 486.987213 18.0 542.343323 22.0 575.629761 18.0 601.433411 18.0 689.47168 18.0 783.185669 19.0 865.205688 19.0 998.650391 22.0 END IONS BEGIN IONS SCANS=86 PEPMASS=189.05613 CHARGE=-1 COLLISION_ENERGY=0.0 57.38562 37.0 71.012444 483.684998 87.007256 116.0 89.023964 756.0 99.021301 67.0 99.92688 48.0 114.02095 223.0 115.021027 1893.070679 116.039391 1083.69873 117.036446 4835.0 118.037148 221.0 143.036163 287.0 209.062119 26.0 219.320801 23.0 233.967468 24.0 249.28064 29.0 249.72522 28.0 253.002045 31.0 267.093323 20.0 267.809235 18.0 275.710815 26.999998 294.792389 20.0 301.468567 17.0 308.401459 18.0 328.493927 18.0 337.733032 20.0 356.387787 24.0 361.364502 18.0 373.045135 19.0 374.999695 20.0 406.169037 18.0 423.539764 29.0 446.413544 20.0 451.288727 20.0 472.612579 23.0 487.533905 18.0 550.605042 29.0 563.494324 18.0 634.809265 18.0 668.644348 20.0 687.55896 34.0 717.553955 18.0 771.373474 20.0 854.654907 18.0 908.138245 18.0 917.602234 17.0 941.212097 18.0 1112.44104 18.0 1115.636719 20.0 1160.691162 18.0 1162.450928 25.0 1176.612549 19.0 1196.568359 24.0 END IONS BEGIN IONS SCANS=87 PEPMASS=205.0496 CHARGE=-1 COLLISION_ENERGY=0.0 59.375298 40.0 71.901726 87.0 76.035431 37.0 86.011055 181.0 87.006157 616.728455 89.001411 37.0 112.006462 622.0 113.002441 1145.0 130.01683 3641.646973 131.01326 7013.354004 132.019104 325.0 142.923355 327.0 158.012024 5217.490234 159.008469 8762.90625 160.015427 294.668793 160.936935 161.0 161.020004 335.0 261.063202 21.0 266.540771 24.0 273.078979 18.0 276.0979 22.0 280.404022 18.0 296.643005 34.0 308.711823 20.0 317.479492 18.0 326.981476 19.0 371.082123 18.0 381.685852 24.0 387.577728 32.0 402.641998 18.0 446.038177 18.0 447.316284 18.0 452.956726 18.0 474.847839 27.0 481.799866 52.0 522.892456 23.0 538.271545 19.0 545.373535 24.0 586.927734 18.0 601.102417 20.0 659.217163 22.0 770.04425 18.0 804.575745 36.0 1111.52771 20.0 1113.290771 35.0 1147.2323 18.0 1150.589233 42.0 1151.340942 17.0 END IONS BEGIN IONS SCANS=88 PEPMASS=478.29336 CHARGE=-1 COLLISION_ENERGY=0.0 51.029808 36.0 58.086197 33.0 87.252747 47.0 92.879883 39.0 94.707314 24.0 96.960846 35.0 100.620117 30.0 107.451866 32.0 109.543114 31.0 129.801437 31.0 140.011734 129.0 143.037277 48.0 150.673904 28.0 173.025192 36.0 174.02417 25.0 195.035416 32.0 196.0401 199.0 197.029999 26.0 207.821686 34.0 214.049927 330.0 215.062576 81.0 218.035172 26.0 228.981659 29.0 243.858765 25.0 279.233582 77.0 280.235687 94.167381 280.254425 47.771626 281.248169 14647.868164 282.251862 3330.0 283.253845 378.0 305.56369 28.0 310.958801 41.0 325.190613 62.0 335.912933 20.0 340.080231 20.0 347.047729 23.0 354.435974 26.0 358.950714 28.0 361.017639 24.0 361.069122 41.0 386.119934 48.0 387.09845 46.0 431.114044 17.0 435.098389 41.0 443.936676 20.0 444.045319 17.0 500.128998 18.0 522.399719 18.0 547.132019 25.0 577.328918 18.0 603.588562 17.0 626.126038 28.0 627.445496 20.0 628.326538 22.0 643.19165 35.0 659.514587 19.0 664.114075 19.0 688.478394 41.0 690.486145 27.0 693.506287 18.0 695.30542 18.0 704.554077 18.0 728.595215 18.0 745.77594 23.0 755.16217 18.0 773.523376 26.0 825.536011 20.0 834.097229 18.0 846.516541 19.0 847.076477 18.0 850.319031 22.0 868.096924 21.0 877.476013 22.0 887.62207 21.0 895.117676 18.0 900.013428 20.0 918.138 19.0 931.220398 19.0 931.411133 21.0 942.637512 19.0 943.505676 28.000002 952.349731 32.0 972.544922 18.0 982.345642 18.0 989.84967 18.0 1006.881042 22.0 1019.992859 41.0 1045.286499 32.0 1050.725464 18.0 1054.504395 18.0 1057.500854 36.0 1073.621948 21.0 1081.190308 36.0 1090.69519 20.0 1127.545044 26.0 1151.279907 20.0 1161.946411 20.0 1167.653564 20.0 1192.541504 20.0 END IONS BEGIN IONS SCANS=89 PEPMASS=245.04648 CHARGE=-1 COLLISION_ENERGY=0.0 71.012741 209.0 72.99379 80.0 84.015198 267.0 85.010437 635.099426 87.006607 228.0 89.026772 67.0 113.003036 132.0 114.023331 1661.0 115.02047 8083.648926 116.023209 516.184387 130.016388 510.0 131.01329 764.0 156.014771 342.502197 157.01181 372.74411 159.046677 278.846375 172.02803 306.0 173.026062 1144.0 174.025284 435.0 201.021713 686.10498 202.018646 1079.966553 202.038742 1088.545288 203.033463 1587.963745 284.125214 18.0 314.477417 18.0 321.934937 18.0 327.980835 23.0 333.038818 24.0 341.10968 24.0 410.656464 22.0 484.399902 22.0 485.365723 19.0 513.215332 20.0 528.159424 19.0 587.239075 20.0 610.413025 26.0 638.459229 20.0 1091.453491 18.0 END IONS BEGIN IONS SCANS=90 PEPMASS=217.03283 CHARGE=-1 COLLISION_ENERGY=0.0 74.02256 55.0 83.013268 53.0 85.009766 119.0 86.009644 75.0 86.060913 48.0 87.005333 199.0 101.004906 95.0 102.995377 50.141148 111.007652 297.0 111.026779 135.0 114.027786 51.0 115.019081 196.0 155.014633 287.0 172.02919 96.0 173.028046 442.0 174.024826 103.60685 175.022263 72.0 327.103851 18.0 361.316193 17.0 382.919922 20.0 413.856537 20.0 486.355164 18.0 1039.805786 18.0 END IONS BEGIN IONS SCANS=91 PEPMASS=261.04063 CHARGE=-1 COLLISION_ENERGY=0.0 85.010651 155.0 85.030457 103.0 86.009773 52.0 87.005508 61.0 89.023987 226.0 99.006424 44.0 111.008095 724.309631 114.021873 202.0 115.020538 683.0 129.01889 375.0 130.016373 1279.0 131.012665 1475.861816 155.017868 254.0 173.025803 322.0 174.032272 75.0 187.037247 78.0 198.026154 295.56134 199.021698 683.181458 215.054352 220.39592 216.039017 229.0 217.032455 858.021423 218.029221 362.0 219.026886 434.0 325.222809 18.0 342.191315 19.0 517.628052 18.0 747.079773 19.0 END IONS BEGIN IONS SCANS=92 PEPMASS=173.02577 CHARGE=-1 COLLISION_ENERGY=0.0 58.993259 34.0 66.629196 65.0 84.012833 422.0 85.009293 1982.596558 87.007492 38.0 99.02018 34.859207 101.004311 178.345245 114.022438 136.0 115.0205 523.0 117.015915 50.0 144.03717 90.0 145.030548 395.0 150.700943 37.0 213.067612 31.0 221.407516 32.0 229.060562 71.0 239.592255 32.0 243.747589 20.0 245.890152 22.0 263.97049 27.0 274.311646 18.0 298.750366 18.0 314.638153 27.0 345.554077 18.0 401.707428 39.0 402.345032 28.0 430.576172 18.0 484.964874 18.0 506.403473 21.0 515.445496 19.0 531.799866 20.0 578.138489 17.0 648.71344 22.0 864.103882 40.0 945.105469 29.0 1137.061646 20.0 END IONS BEGIN IONS SCANS=93 PEPMASS=205.01392 CHARGE=-1 COLLISION_ENERGY=0.0 62.024845 41.0 62.960499 42.0 86.009483 225.0 87.006477 406.0 87.711617 40.0 89.00531 70.0 112.005508 501.0 113.003242 1171.0 130.01619 4039.0 131.012939 6515.595215 133.01268 171.0 142.924255 202.0 158.0112 5808.786621 159.00856 9693.898438 160.021103 425.0 160.935379 182.429901 161.015182 363.0 260.576935 30.0 268.351959 18.0 273.293671 18.0 286.42218 18.0 287.908539 27.0 290.813995 25.0 303.378754 19.0 316.177399 18.0 316.496368 22.0 317.495972 34.0 343.063263 21.0 345.996979 28.0 351.764801 17.0 372.155365 18.0 387.069092 20.0 393.814728 19.0 397.232666 34.0 404.744812 67.0 570.23114 18.0 630.226196 23.0 716.217712 18.0 784.401001 23.0 858.398376 20.0 1001.270142 20.0 1041.415527 18.0 1045.667358 20.0 1057.260498 17.0 1061.369507 18.0 1103.465698 20.0 1135.202271 17.0 1138.57373 41.0 1140.326294 18.0 END IONS BEGIN IONS SCANS=94 PEPMASS=246.04376 CHARGE=-1 COLLISION_ENERGY=0.0 55.719505 33.0 71.016495 61.207134 76.013626 55.0 85.009163 47.0 86.009651 114.0 87.004837 218.0 114.023071 1192.0 115.020035 6884.894531 116.023056 319.0 129.019287 199.0 130.015869 578.273804 131.013611 991.0 155.017151 305.0 156.013992 386.0 157.008759 346.0 173.027161 626.0 174.024811 931.0 175.019196 583.0 202.018753 1188.312988 202.036041 1236.800537 203.017487 886.452332 203.033737 1570.890625 272.041718 22.0 272.456329 18.0 293.75885 18.0 411.512939 26.0 432.693298 18.0 438.692871 18.0 440.310608 21.0 685.390137 17.0 1005.310364 18.0 END IONS BEGIN IONS SCANS=95 PEPMASS=203.03319 CHARGE=-1 COLLISION_ENERGY=0.0 73.654831 34.0 85.014412 81.0 86.0103 469.0 87.005424 780.0 88.00351 72.0 89.002167 95.007034 112.00647 864.0 113.002182 830.0 115.020935 1046.021606 129.020493 981.0 130.016602 3880.079346 131.013199 5730.705566 157.015762 1299.301514 158.011841 5554.179199 159.008469 7613.582031 160.009216 279.118073 261.640381 20.0 264.131805 23.0 267.305603 42.0 281.815216 20.0 296.416718 22.0 298.153625 22.0 300.043945 20.0 307.047668 18.0 308.375702 44.0 322.064087 21.0 325.189453 51.0 338.165558 43.0 356.044312 18.0 358.038055 21.0 363.29306 19.0 364.292603 19.0 375.407837 20.0 387.542328 22.0 401.044128 19.0 414.19989 17.0 414.94162 20.0 417.319611 22.0 431.04538 18.0 443.136169 18.0 454.269745 20.0 474.092712 19.0 497.154144 17.0 517.628601 22.0 519.36676 24.0 531.217285 22.0 572.151978 31.0 592.104004 17.0 596.044983 21.0 624.748779 18.0 633.508423 30.0 657.490173 26.0 664.507446 22.0 676.244141 21.0 715.039917 18.0 803.536682 17.0 825.00293 17.0 834.154663 20.0 897.312927 17.0 960.345215 20.0 963.547852 19.0 989.116211 24.0 1017.315674 18.0 1026.456787 20.0 1038.229248 21.0 1048.349609 23.0 1058.202148 38.0 1083.450195 18.0 1095.961182 17.0 1097.463867 21.0 1106.192261 20.0 1115.994385 18.0 1125.167114 22.0 1135.360718 22.0 1147.078125 18.0 1155.389526 18.0 1157.658813 19.0 1162.191528 18.0 1185.129883 17.0 END IONS BEGIN IONS SCANS=96 PEPMASS=247.03642 CHARGE=-1 COLLISION_ENERGY=0.0 71.013023 37.0 87.006592 81.0 88.004814 18.0 89.006119 42.0 89.025276 24.0 113.003731 194.0 114.024391 510.789642 115.020012 3834.815918 129.023697 224.0 130.016144 1056.0 131.012741 1249.184814 155.01738 230.0 156.012253 514.0 157.010742 784.0 173.025757 382.123749 174.024551 1003.0 175.021301 881.0 201.020081 737.0 202.021637 2089.55249 203.016251 1948.372925 203.033859 808.627136 281.602661 22.0 282.636932 20.0 287.201202 18.0 304.902008 29.0 511.656799 20.0 556.651489 20.0 570.456726 20.0 839.27533 20.0 918.301941 19.0 END IONS BEGIN IONS SCANS=97 PEPMASS=478.29358 CHARGE=-1 COLLISION_ENERGY=0.0 58.33115 45.0 66.232536 43.0 68.233459 24.0 74.574005 38.0 78.958168 241.0 81.43354 24.0 125.021469 28.0 127.057327 41.0 134.982346 30.0 135.84259 27.0 140.011383 528.0 141.019989 25.0 152.996429 168.809586 175.027252 23.0 184.351974 24.0 196.037811 1898.700439 197.0383 112.0 198.044373 78.0 209.037964 32.0 214.044647 435.0 216.093445 33.0 217.674561 22.0 217.759857 24.0 228.784363 30.0 255.226685 112.0 280.235077 60.0 281.247742 22489.542969 282.250885 4549.763672 283.26181 1542.0 284.260498 215.0 310.002594 31.0 314.948975 26.0 322.837677 29.0 326.655487 23.0 330.965698 20.0 339.218628 20.0 351.583313 24.0 364.472656 20.0 364.794159 22.0 380.829559 22.0 384.978943 25.0 399.100983 19.0 415.254059 22.0 416.185394 18.0 417.240143 18.0 418.243774 17.0 434.013214 44.0 440.066223 18.0 450.262512 74.0 452.277496 114.0 510.966248 18.0 522.044678 25.0 538.475769 18.0 551.291199 34.0 552.729431 18.0 568.262634 27.0 574.301697 30.0 606.278137 19.0 629.450073 19.0 630.166199 32.0 674.492798 18.0 688.476196 17.0 705.302063 18.0 717.577332 18.0 729.568542 20.0 742.543213 20.0 768.427185 18.0 785.414917 21.0 786.377136 20.0 826.889832 22.0 829.519958 17.0 834.069275 17.0 892.832458 24.0 894.423889 18.0 903.600159 21.0 911.52948 22.0 929.624268 20.0 931.574829 18.0 941.5802 20.0 946.320801 18.0 999.780945 18.0 1004.501953 20.0 1060.497681 22.0 1063.527344 17.0 1084.473389 21.999998 1090.552368 17.0 1144.396851 18.0 1168.795532 20.0 1189.207275 22.0 1190.790039 18.0 1197.867065 23.0 END IONS BEGIN IONS SCANS=98 PEPMASS=450.26276 CHARGE=-1 COLLISION_ENERGY=0.0 56.44875 18.0 61.677975 18.0 70.364433 17.0 78.719574 26.0 78.958748 177.0 109.491753 22.0 111.005455 22.0 122.003525 48.689457 137.980545 22.0 140.011826 640.950073 141.014084 42.0 150.95253 22.0 152.994873 134.0 166.84436 22.0 173.026978 24.0 196.037247 1710.0 197.039307 83.0 208.414215 20.0 214.049637 665.055237 217.017578 40.0 219.601883 20.0 229.582291 18.0 253.216614 13440.480469 254.220886 2446.0 255.169403 37.0 255.232559 16310.0 256.236847 2123.0 256.426392 29.0 312.173157 40.0 313.157806 19.0 318.211731 25.0 318.899811 22.0 320.051697 22.0 337.956757 19.0 358.569153 20.0 359.527283 18.0 366.995575 18.0 375.0289 20.0 391.229736 23.0 392.217834 21.0 400.793884 34.0 403.548004 18.0 406.882263 19.0 509.612244 19.0 526.346375 18.0 600.26825 22.0 942.637695 19.0 1019.684021 28.0 END IONS BEGIN IONS SCANS=99 PEPMASS=450.26233 CHARGE=-1 COLLISION_ENERGY=0.0 58.566158 26.0 65.256996 31.0 73.075554 26.0 77.151634 26.0 78.960243 66.0 83.049362 26.0 111.126205 29.0 114.295273 29.999998 115.110977 39.0 122.005058 58.139259 140.011581 349.923859 141.004959 31.0 152.997437 160.0 153.106262 35.0 173.024185 39.0 195.240509 72.0 196.037781 804.0 197.038925 53.0 201.930054 20.0 201.994278 45.0 203.032715 20.0 214.046814 461.0 233.619476 23.0 235.204071 21.0 253.21611 11662.0 254.21933 2071.755127 255.232208 8676.0 256.237061 1161.510498 257.662018 32.0 281.247314 83.0 315.017059 19.0 318.117554 22.0 320.573914 20.0 321.056671 27.0 321.602722 30.0 343.863251 26.0 350.073578 22.0 350.512939 24.0 357.106812 18.0 361.00882 21.0 390.264618 22.0 428.840942 22.0 478.295563 57.0 542.776062 20.0 550.28833 24.0 567.329651 21.0 613.292297 18.0 614.527893 19.0 631.294739 18.0 639.172607 21.0 645.455627 18.0 686.464172 18.0 688.511292 18.0 714.08844 39.0 747.854736 25.0 756.452515 18.0 842.520081 18.0 883.03009 17.0 950.397522 17.0 951.316833 17.0 953.551025 20.0 984.419556 21.0 998.369873 19.0 1005.273438 24.0 1027.592407 17.0 1056.793701 24.0 1061.562378 20.0 1063.676147 18.0 1125.65918 18.0 1130.3573 22.0 1132.643677 25.0 1136.569946 18.0 1139.458618 18.0 1143.607422 30.0 1162.73938 22.0 1183.438232 20.0 1189.211914 22.0 1198.672363 20.0 END IONS BEGIN IONS SCANS=100 PEPMASS=905.56371 CHARGE=-1 COLLISION_ENERGY=0.0 79.043762 18.0 89.025406 32.0 121.994217 18.0 140.010529 19.0 150.866409 20.0 156.326157 20.0 157.869522 18.0 187.498932 18.0 196.036026 89.0 214.052643 23.0 236.094284 17.0 253.218674 39.0 254.22551 40.0 255.232468 1210.0 256.233368 169.0 258.306763 24.0 266.562927 35.0 335.305786 18.0 335.40274 18.0 339.199951 21.0 354.125885 36.0 358.354065 20.0 428.285828 18.0 434.566986 22.0 445.626434 17.0 447.247925 40.0 450.262268 94.0 451.265015 122.0 452.27829 7327.0 453.281189 1745.0 454.285492 297.0 455.287537 68.0 549.281494 18.0 609.363892 28.0 640.682983 24.000002 712.285583 18.0 861.504883 22.0 1011.115967 19.0 END IONS BEGIN IONS SCANS=101 PEPMASS=452.27745 CHARGE=-1 COLLISION_ENERGY=0.0 62.796944 37.0 68.225288 26.0 71.071762 22.0 78.958458 1023.0 78.997986 22.0 96.963837 23.0 122.001732 69.0 125.005722 26.0 134.982025 35.0 140.011597 2074.887695 140.22168 35.0 141.018402 79.0 152.996613 551.385132 167.105133 29.0 187.191162 55.0 196.037766 6925.353027 197.041107 454.0 198.03978 84.0 210.942123 23.0 214.04837 1482.06897 215.048447 62.0 219.013794 39.0 231.857086 36.0 231.95517 28.0 253.215698 612.0 254.220032 1399.0 255.23317 65978.164062 255.305542 1219.138916 256.236694 15134.0 257.239014 1468.0 310.004425 18.0 320.157471 25.0 323.059906 30.0 325.169403 20.0 342.374603 21.0 343.8992 17.0 362.11261 37.0 371.170197 22.0 391.232391 128.0 393.225708 18.0 397.106354 23.0 406.042786 18.0 408.019501 17.0 409.022766 23.0 411.361145 17.0 547.853271 19.0 643.471436 18.0 659.49646 19.0 660.017212 20.0 679.211121 18.0 706.914429 27.0 737.765808 22.0 774.216797 24.0 878.383301 17.0 890.200623 46.0 903.539856 35.0 905.580383 19.0 1029.604614 17.0 1074.542114 22.0 END IONS BEGIN IONS SCANS=102 PEPMASS=453.28092 CHARGE=-1 COLLISION_ENERGY=0.0 55.091213 20.0 78.947716 20.559196 78.958176 89.742538 79.574242 23.0 95.006203 18.0 96.956467 18.0 105.017128 22.0 117.076736 22.0 134.986542 26.0 137.006256 25.0 140.010925 290.0 141.015305 41.0 152.998459 55.0 169.006546 22.0 173.092133 28.0 196.037842 707.0 197.038727 111.0 198.03656 47.0 200.944443 31.0 214.049332 117.0 215.060089 21.0 215.090088 20.0 229.939819 23.0 253.217255 37.0 255.232819 7769.0 256.236542 2092.0 257.241852 139.0 258.242126 38.0 280.938599 30.0 304.851532 18.0 334.981598 27.0 335.980835 21.0 337.920654 23.0 339.022156 26.0 364.111816 19.0 408.882446 18.0 408.97934 20.0 799.775024 18.0 883.474365 18.0 935.362976 23.0 END IONS BEGIN IONS SCANS=103 PEPMASS=305.06831 CHARGE=-1 COLLISION_ENERGY=0.0 54.23671 27.0 71.011818 215.0 85.011513 102.0 87.008087 86.0 89.023544 209.0 99.006485 43.0 100.009384 85.0 114.024559 521.0 115.020378 1853.602173 116.019981 81.688911 133.035019 83.0 141.037903 115.0 156.034195 248.0 157.031876 1280.0 186.044739 1110.70166 187.042435 4316.677734 188.04538 246.0 199.0401 602.0 200.044586 63.0 200.954391 36.0 217.055527 112.0 218.056961 38.0 229.047226 50.0 245.050079 116.0 258.063995 141.0 259.063507 814.0 260.070312 112.0 275.053497 39.0 276.060272 51.0 277.085083 52.914474 368.100037 18.0 394.99765 20.0 415.014496 21.0 424.042084 24.0 435.934418 17.0 474.693542 23.0 508.501678 22.0 515.14978 20.0 518.61676 23.000002 578.176025 19.0 593.255737 18.0 653.653198 18.0 658.516235 22.0 724.98645 30.0 794.297791 17.0 842.673523 18.0 872.387085 26.000002 877.357971 18.0 946.251648 20.0 995.540527 17.0 1116.512939 22.0 1123.67688 20.0 END IONS BEGIN IONS SCANS=104 PEPMASS=187.04126 CHARGE=-1 COLLISION_ENERGY=0.0 71.01226 340.0 85.031418 28.0 87.007362 68.0 88.039719 32.0 89.02137 39.0 99.0793 36.0 100.933601 111.0 114.024239 1706.0 115.020218 6937.302246 116.024292 323.0 117.028755 106.0 143.051819 96.0 211.912415 26.0 227.677292 19.0 245.659592 20.0 265.199127 20.0 277.998444 18.0 311.177917 20.0 330.248016 19.0 333.22702 21.0 348.630157 24.0 362.805634 22.0 379.040955 18.0 389.236206 30.0 445.601501 23.0 452.276184 19.0 485.49939 21.0 489.972687 24.0 525.746887 17.0 536.290527 36.0 542.830933 20.0 568.156311 26.999998 568.799011 20.0 593.991272 20.0 861.198975 18.0 918.959106 18.0 1079.245728 18.0 1130.28479 22.0 1132.667114 54.000004 1147.52002 24.0 1156.131104 26.0 1164.333618 21.0 END IONS BEGIN IONS SCANS=105 PEPMASS=417.10315 CHARGE=0 COLLISION_ENERGY=0.0 68.998993 34.0 71.012405 62.0 72.989632 20.0 87.01355 26.0 89.022423 61.0 93.035484 35.0 113.02404 53.0 114.023453 124.0 115.020927 39.0 119.032677 44.0 121.012871 41.0 131.03923 37.0 153.025238 39.0 159.017715 51.0 161.017303 38.0 177.013901 45.0 191.035294 41.0 193.02153 47.0 200.048615 26.0 201.022964 27.0 205.013031 110.0 206.012665 54.0 206.987579 43.0 223.022858 35.0 255.12059 22.0 257.062744 43.0 259.045654 26.0 259.079102 28.0 287.089508 23.0 295.103027 25.0 301.068939 58.0 305.073364 105.0 310.082275 42.0 326.891144 19.0 333.075897 23.0 343.884369 31.000002 354.066162 24.0 355.04361 20.0 370.020569 20.0 380.019958 33.0 383.969818 23.0 465.818695 22.0 470.086975 20.0 525.176941 21.0 1008.670532 18.0 END IONS BEGIN IONS SCANS=106 PEPMASS=553.17676 CHARGE=0 COLLISION_ENERGY=0.0 88.834373 20.0 88.989525 60.914173 89.023895 2852.0 89.973579 18.0 90.027397 74.0 90.849808 18.0 122.105759 19.0 127.01696 21.0 128.03978 25.0 136.997299 23.0 143.04039 22.0 148.915802 25.0 152.994598 25.0 166.051025 21.0 185.078583 27.0 187.017776 25.0 193.047073 44.0 195.028793 23.0 205.015106 147.0 219.060028 23.0 221.081711 28.0 221.985214 20.0 223.028152 62.0 237.04451 110.0 255.045319 73.0 265.150635 66.0 266.066986 18.0 266.15036 18.0 297.066589 42.0 297.152649 20.0 305.075714 20.0 307.077606 23.0 309.180908 18.0 319.034302 22.0 325.186462 18.0 327.082916 21.0 350.069275 28.0 355.139069 31.0 357.182465 18.0 389.076904 24.0 394.181885 20.0 417.100433 122.0 421.031036 22.0 430.099915 18.0 452.036102 20.0 452.25177 26.0 465.026794 18.0 468.157654 18.0 473.119812 22.0 491.136108 34.0 507.137726 108.0 517.728516 18.0 519.126953 25.999998 666.937134 31.0 END IONS BEGIN IONS SCANS=107 PEPMASS=509.15035 CHARGE=0 COLLISION_ENERGY=0.0 59.013397 298.0 71.013672 505.0 87.009338 119.0 88.037781 80.0 89.023689 1343.0 95.012314 59.0 101.024132 1065.0 113.024513 438.0 119.033844 683.838379 125.02356 229.0 143.107193 411.0 149.023544 224.0 153.018387 735.111206 161.024551 498.447021 177.019745 1070.0 179.055099 568.053467 191.032013 388.0 195.029449 594.938232 205.013565 4312.22998 206.018723 509.0 209.044785 456.869141 219.031433 601.0 223.025864 593.950378 237.039932 1422.0 251.056076 162.0 255.050476 3566.295654 256.052704 427.0 279.0495 315.0 281.250519 223.0 297.060577 466.0 305.061371 36.0 305.157837 42.0 309.058929 46.0 311.16098 33.0 327.068268 146.0 347.169067 52.0 357.079132 97.0 358.09024 41.0 359.101379 24.0 371.093903 86.0 379.171661 22.0 385.082062 126.0 416.975586 21.0 417.101685 1853.0 417.272217 27.0 418.105011 290.0 419.106384 78.0 425.56308 18.0 463.106598 232.0 463.224091 64.0 464.110199 85.0 468.249542 26.0 480.829926 26.0 485.288116 23.0 532.929932 18.0 547.294434 18.0 596.1073 18.0 622.672791 18.0 640.210083 19.0 706.032654 22.0 END IONS BEGIN IONS SCANS=108 PEPMASS=513.21889 CHARGE=0 COLLISION_ENERGY=0.0 59.014076 183.0 71.014046 248.0 85.027901 57.0 86.002907 29.0 89.02301 379.0 95.013519 48.0 101.024513 676.0 113.023865 665.735229 119.036407 412.0 143.037964 128.097748 143.108032 3291.510742 144.109207 269.0 161.045593 781.0 162.047256 78.0 179.055283 576.0 180.059799 77.0 185.119446 437.0 186.118698 43.0 203.057678 287.0 215.12793 130.0 216.13118 40.0 221.06752 110.0 226.97522 41.0 233.142456 173.0 252.983215 20.0 255.053818 22.0 259.071777 44.0 263.076416 286.0 264.079437 47.0 299.118195 21.0 305.161346 297.0 306.172211 22.0 345.617645 24.000002 347.173248 488.0 347.301605 32.0 348.179382 137.0 365.186493 35.0 366.181702 27.0 367.21521 23.0 381.051727 22.0 389.182495 162.0 390.186462 63.0 455.520142 20.0 467.213196 39.0 471.255524 22.0 552.234192 18.0 END IONS BEGIN IONS SCANS=109 PEPMASS=463.10903 CHARGE=-1 COLLISION_ENERGY=0.0 59.012531 281.95816 71.012527 177.0 72.017303 56.0 75.010048 75.858681 89.024529 470.0 93.032684 65.0 101.024307 520.0 113.025726 241.0 119.03289 201.654419 133.030792 73.0 137.024887 110.0 149.021896 198.0 153.019913 315.0 161.024277 266.341095 167.034958 240.0 177.019287 462.0 179.053391 327.0 195.030945 317.0 205.013306 1811.176025 206.019501 202.0 209.045685 126.0 219.027908 194.0 223.02597 120.0 237.039581 311.0 255.051727 1218.0 256.059662 164.0 269.064636 43.0 279.053925 95.0 286.666687 30.0 297.058472 98.734642 308.876678 38.0 311.19162 25.0 315.06665 21.0 329.007965 21.0 332.132202 22.0 342.104919 29.0 357.076447 18.0 359.097198 20.0 367.056976 24.0 370.526703 21.0 384.391968 29.0 388.072601 21.0 416.981293 24.0 417.10321 168.0 418.091858 73.0 424.099243 22.0 430.123352 18.0 507.137146 45.0 527.142822 18.0 539.232605 58.0 550.160217 18.0 595.183167 22.0 628.623596 27.0 664.336975 20.0 700.680908 18.0 707.38031 18.0 846.191711 19.0 885.527161 18.0 1030.425415 17.0 1043.4104 24.0 1057.073975 21.0 1092.492554 22.0 1100.36145 21.0 1132.309082 27.0 1164.751831 18.0 END IONS BEGIN IONS SCANS=110 PEPMASS=379.16069 CHARGE=0 COLLISION_ENERGY=0.0 52.068707 31.0 53.097858 32.0 59.014977 34.0 71.012383 150.0 89.025131 454.0 99.011276 41.0 101.023643 156.0 113.023926 58.0 119.034363 122.0 125.02597 48.0 131.031769 58.0 149.044708 242.0 160.06044 49.0 160.940353 35.0 161.048065 64.0 174.040527 54.0 179.052917 40.0 191.058563 163.0 204.909653 34.0 215.033081 31.0 219.180923 24.0 235.924942 45.0 242.98642 52.0 247.120361 28.0 255.058487 19.0 255.34433 30.0 266.662872 19.0 275.960876 20.0 277.041443 21.0 291.070496 24.0 311.171265 35.0 312.161285 29.0 318.088409 26.0 321.18219 23.0 328.227356 24.0 332.103729 20.0 404.681122 24.0 407.161743 20.0 411.317291 36.0 417.0961 18.0 456.843079 21.0 463.116455 40.0 468.2052 18.0 472.597382 17.0 492.245117 22.0 493.123749 18.0 507.125397 17.0 542.313049 20.0 549.130737 30.0 549.177917 18.0 567.234497 35.0 571.274597 25.0 579.173645 22.0 632.194763 20.0 650.237305 18.0 665.13562 18.0 678.264832 22.0 700.353088 18.0 722.387085 34.0 769.211792 17.0 774.274292 26.0 856.388489 19.0 863.301941 20.0 877.337158 17.0 893.303833 18.0 970.251282 17.0 989.447144 22.0 990.515076 18.0 996.517761 18.0 1036.411621 27.0 1051.390137 19.0 1092.603638 18.0 1131.369873 19.0 1133.240845 21.0 1160.64856 20.0 1187.147339 20.0 END IONS BEGIN IONS SCANS=111 PEPMASS=424.24667 CHARGE=0 COLLISION_ENERGY=0.0 59.014851 156.0 71.010147 58.0 78.961212 40.0 85.029953 38.0 89.023529 456.0 99.007904 90.0 101.023712 271.0 113.022964 200.0 119.03212 173.0 131.03508 237.0 140.01059 161.0 149.047348 571.0 152.994644 70.0 161.045563 74.0 179.055801 142.0 187.037827 105.0 191.060333 137.0 196.037598 346.0 214.048126 96.0 216.043442 27.0 221.064911 43.0 227.201004 5434.0 228.206024 779.0 229.207306 108.0 251.075882 90.0 252.079575 18.0 261.092041 20.0 269.146332 25.0 271.05069 18.0 294.189362 21.0 305.065125 22.0 311.089355 26.886406 311.109741 18.0 314.133087 28.0 316.089355 18.0 341.428955 20.0 378.184906 19.0 379.160736 1303.637451 380.160492 160.0 381.107056 36.0 381.159637 36.0 383.288422 21.0 471.639069 27.0 510.767456 20.0 517.952087 20.0 590.336975 18.0 954.257812 25.0 END IONS BEGIN IONS SCANS=112 PEPMASS=287.16088 CHARGE=-1 COLLISION_ENERGY=0.0 67.027885 36.0 80.683762 33.0 82.031906 84.0 83.06015 98.0 84.044708 169.908401 89.023972 39.0 101.072418 267.0 109.040466 379.0 127.050636 1805.0 128.034485 287.963104 140.106735 314.0 145.061996 2134.0 156.102203 241.0 158.11882 736.0 159.100586 70.547966 159.125778 46.0 163.445114 53.0 175.021759 42.0 223.144409 170.0 225.159668 1641.0 226.164001 303.794983 238.133453 93.0 243.171936 144.0 244.169434 104.0 317.255432 33.0 328.157379 22.0 339.733429 28.0 343.461212 28.0 345.121094 28.0 352.550323 42.0 372.092194 20.0 374.090057 18.0 375.467285 20.0 389.181488 51.0 393.41037 21.0 400.279053 18.0 413.333008 26.0 416.666504 41.0 427.997925 19.0 457.424103 19.0 459.554199 18.0 469.322083 18.0 497.574127 20.0 504.845245 22.0 536.310364 26.0 553.145447 19.0 557.165833 18.0 564.787354 18.0 565.230713 18.0 578.667786 30.0 600.202148 33.0 600.822083 17.0 615.775757 18.0 618.230713 20.0 663.781982 26.0 668.117432 20.0 700.43689 18.0 712.29248 20.0 716.494019 23.0 782.286316 20.0 826.490723 20.0 849.364868 27.0 866.456055 18.0 869.409912 17.0 882.441406 18.0 901.420654 17.0 902.505249 18.0 941.511658 20.0 961.465271 34.0 974.558167 18.0 984.533081 19.0 986.580078 29.0 1006.132446 28.0 1031.531494 27.0 1090.545288 18.0 1114.980469 20.0 1152.566406 20.0 1185.572632 20.0 1198.429688 18.0 END IONS BEGIN IONS SCANS=113 PEPMASS=151.02565 CHARGE=-1 COLLISION_ENERGY=0.0 50.369671 35.0 53.284157 30.0 57.9146 47.0 65.998482 150.0 67.002937 40.0 80.026649 134.309769 106.464157 22.0 108.019615 8874.369141 108.722969 25.0 109.02253 707.021851 126.907715 35.0 191.138626 30.0 200.927902 23.0 208.080231 34.0 218.302765 21.0 221.892685 29.0 237.160324 20.0 245.246338 35.0 260.673828 20.0 262.188568 40.0 262.392731 18.0 280.56601 36.0 290.099823 18.0 306.572479 18.0 310.11496 20.0 329.512756 24.0 345.735657 19.0 350.239624 24.0 352.905029 18.0 368.942139 18.0 374.165222 18.0 382.903595 21.0 397.611084 19.0 402.570007 27.0 406.152863 18.0 423.890289 40.0 468.430328 25.0 470.219208 31.0 512.420593 20.0 531.077209 22.0 577.629639 27.0 590.417542 31.0 646.302856 18.0 691.509766 29.0 719.270325 18.0 719.521362 27.0 1101.642578 34.0 1146.765015 22.0 1156.410889 26.0 1159.47229 26.0 END IONS BEGIN IONS SCANS=114 PEPMASS=89.02364 CHARGE=0 COLLISION_ENERGY=0.0 68.291649 25.0 116.602493 23.0 129.019272 30.0 133.012863 24.0 145.059509 22.0 158.415268 18.0 167.061371 25.0 172.946259 18.0 187.023209 22.0 197.769058 20.0 199.077728 20.0 200.014343 20.0 212.767212 18.0 222.400757 51.0 223.05661 33.0 229.380417 19.0 231.585495 20.0 254.810837 35.0 259.062378 20.0 263.524139 20.0 264.102844 19.0 279.828827 19.0 296.504395 22.0 302.937683 17.0 310.214386 18.0 316.135895 17.0 327.184753 19.0 331.176819 17.0 334.521149 18.0 351.806732 18.0 351.975403 17.0 359.640472 18.0 380.127716 18.0 390.63028 25.0 399.145966 20.0 415.217926 17.0 416.210388 18.0 423.098175 40.0 442.524811 25.0 455.919556 19.0 499.222473 24.0 508.479706 18.0 546.209778 26.0 569.314392 24.0 576.401672 20.0 641.591675 17.0 682.875244 18.0 683.121033 42.0 688.492737 19.0 691.128662 17.0 705.356628 18.0 734.763184 18.0 736.391724 18.0 755.207153 17.0 774.527405 30.0 778.730774 21.0 785.176086 27.0 793.516174 17.0 837.168518 19.0 863.190735 23.0 936.480652 18.0 981.472046 30.0 987.395081 20.0 1081.564087 20.0 1087.345093 17.0 1138.543701 18.0 1178.317505 24.0 END IONS BEGIN IONS SCANS=115 PEPMASS=135.03065 CHARGE=0 COLLISION_ENERGY=0.0 65.01342 105.0 66.01123 38.0 81.948868 82.0 82.309113 31.0 92.024818 1861.0 93.027679 154.659653 106.026619 63.0 107.036469 42.0 162.66275 35.0 177.527328 18.0 181.743683 25.0 208.980911 19.0 212.573807 31.0 214.029221 21.0 246.439362 23.0 267.429688 18.0 271.160187 19.0 274.181732 28.0 293.352692 30.0 302.054108 22.0 311.438629 29.0 315.084351 24.0 318.009674 24.0 336.793671 26.0 344.473267 22.0 368.120026 17.0 369.911591 24.0 414.726654 26.0 437.271515 18.0 439.058563 17.0 461.913727 17.0 465.266663 20.0 476.165375 18.0 476.722015 18.0 487.602386 18.0 505.295715 17.0 521.533203 20.0 545.175537 18.0 720.666504 19.0 797.651123 18.0 823.678711 24.0 1103.677124 18.0 1170.93811 20.0 1178.059082 28.0 1185.672485 19.0 1189.543701 25.000002 1198.292847 18.0 END IONS BEGIN IONS SCANS=116 PEPMASS=299.07637 CHARGE=-1 COLLISION_ENERGY=0.0 59.013359 618.0 71.013268 388.0 85.030777 97.0 89.023773 989.0 93.032494 297.098145 95.012222 57.0 101.024178 759.0 113.024673 670.0 119.033783 431.0 136.017166 275.0 137.023865 2554.919678 138.025146 266.0 151.039169 425.0 152.041595 46.0 163.040436 40.0 167.970367 41.0 179.03508 1451.233765 180.037354 162.0 208.046371 27.0 209.047745 87.0 210.040314 34.0 239.056549 464.0 240.060074 63.0 240.479645 24.0 255.228348 36.0 359.274689 20.0 368.276947 18.0 442.646637 18.0 477.892609 17.0 508.299011 22.0 792.502441 22.0 939.181152 17.0 992.386963 18.0 1027.29834 18.0 1106.549927 23.0 1113.621826 41.0 1115.584473 18.0 1130.330444 28.0 1153.628052 25.0 1168.525391 18.0 1175.856079 18.0 END IONS BEGIN IONS SCANS=117 PEPMASS=305.0694 CHARGE=0 COLLISION_ENERGY=0.0 61.987785 198.0 71.01284 71.0 85.028702 37.0 88.039719 35.0 89.024605 170.0 99.008369 70.0 114.024834 256.0 115.004807 124.412949 115.020836 696.587036 127.038467 99.0 132.035477 107.0 141.066864 58.0 156.039001 81.0 157.032104 301.0 186.046387 284.0 187.040955 2212.019531 188.046875 256.0 189.068192 178.733612 203.953568 26.0 221.119934 25.0 225.955856 35.0 228.358231 25.0 233.051559 33.0 245.050705 47.0 258.072449 140.0 259.062744 548.0 260.067657 92.0 261.09079 31.0 276.08609 39.0 361.166473 20.0 369.061493 21.0 374.178375 18.0 403.126465 18.0 414.714539 19.0 435.954407 30.0 467.144531 52.0 552.816956 19.0 644.506714 18.0 738.743591 31.0 758.491394 22.0 783.662964 21.0 787.544312 18.0 788.536987 17.0 792.180115 17.0 833.253784 30.0 864.604431 18.0 942.29187 21.0 1040.438843 17.0 1122.462158 17.0 1164.41626 18.0 1196.729492 18.0 END IONS BEGIN IONS SCANS=118 PEPMASS=279.03816 CHARGE=-1 COLLISION_ENERGY=0.0 73.948082 18.0 74.572029 19.0 79.961143 24.0 82.029091 131.0 82.95903 20.0 83.033516 18.0 110.024605 665.0 111.019455 680.0 116.927437 42.0 122.026573 62.0 132.033203 64.0 140.034119 101.0 152.039886 270.320374 153.028412 234.655823 162.895081 22.0 180.809433 22.0 182.035751 22.0 193.004166 28.0 200.055847 567.0 201.056564 90.0 204.941986 46.0 243.061691 2180.0 244.060501 208.0 245.069992 46.0 538.095642 18.0 863.572205 20.0 END IONS BEGIN IONS SCANS=119 PEPMASS=495.11753 CHARGE=-1 COLLISION_ENERGY=0.0 51.968079 30.0 69.631134 23.0 79.032478 24.0 85.025665 24.0 92.356422 20.0 99.421867 22.0 100.002937 108.0 104.030731 27.0 111.019684 7424.0 112.023247 582.0 113.024963 103.0 123.044601 75.0 158.034836 30.0 165.045258 26.0 172.047913 25.0 180.067337 69.0 192.067551 95.0 198.044678 30.0 206.044235 83.0 224.055618 253.0 225.055054 76.0 240.059723 26.0 241.053024 63.0 243.058838 37.0 254.066742 1248.258179 255.069153 56.0 270.067047 1013.64978 271.063354 4666.134277 272.068268 531.0 273.070068 176.0 312.17041 40.0 314.206818 47.0 315.020111 20.0 327.185638 20.0 335.690399 20.0 339.097809 32.0 361.192963 18.0 382.095673 521.0 383.089813 1982.284424 383.15509 41.0 384.090637 392.090179 385.087463 75.0 411.918579 26.0 417.245117 19.0 418.107117 17.0 635.213806 27.0 656.182739 22.0 661.233093 27.0 669.99823 18.0 677.830566 27.0 717.453003 22.0 733.485413 18.0 758.484863 49.0 759.514221 18.0 760.528381 21.0 761.523743 20.0 762.514404 20.0 768.405945 20.0 804.112976 24.0 831.492615 30.0 833.504822 39.0 834.516724 39.0 835.525208 19.0 841.188965 22.0 855.489685 18.0 859.546082 44.0 867.535278 20.0 870.466919 18.0 903.091736 17.0 910.409851 27.0 925.445068 52.0 933.442078 23.0 953.501282 18.0 963.598145 22.0 977.541199 18.0 1002.555725 17.0 1049.953613 19.0 1052.550415 18.0 1082.555786 18.0 1096.037231 19.0 1149.392578 44.0 1158.338501 18.0 1184.154541 24.0 1184.490356 19.0 1195.606689 18.0 END IONS BEGIN IONS SCANS=120 PEPMASS=200.05597 CHARGE=0 COLLISION_ENERGY=0.0 52.840649 29.0 82.029709 57.0 83.931335 36.0 87.007866 45.0 89.023956 78.0 99.926086 39.0 110.023483 115.0 114.937691 39.0 119.055168 31.0 122.026413 78.0 125.031502 54.0 139.114883 43.0 151.998062 25.0 155.029892 25.0 155.952759 76.0 156.94809 78.0 223.660919 20.0 242.561798 19.0 254.056458 21.0 263.566895 18.0 271.058777 55.0 271.576324 19.0 275.920837 24.0 291.12973 22.0 300.679474 17.0 311.177643 23.0 314.530884 18.0 326.192352 18.0 339.192871 17.0 340.540009 20.0 379.155029 27.0 387.693726 20.0 456.351562 18.0 473.128601 25.0 494.118317 24.0 495.12854 35.0 496.130981 26.0 496.238953 28.0 505.13501 20.0 523.926575 18.0 528.227112 25.0 542.073975 19.0 579.115479 18.0 585.323425 18.0 609.212646 20.0 658.023682 18.0 676.474854 18.0 701.199036 18.0 720.522156 18.0 723.234253 21.0 735.408325 20.0 752.223511 24.0 775.263184 24.0 776.527893 20.0 786.503601 22.0 838.295227 18.0 880.103699 22.0 933.301697 20.0 948.31311 18.0 964.325317 18.0 970.34021 18.0 978.313354 20.0 992.170532 25.0 997.440857 17.0 999.322021 17.0 1058.391968 20.0 1078.251587 20.0 1101.251587 18.0 1131.387085 18.0 1140.325195 17.0 1154.323853 40.0 1160.316895 18.0 1174.192993 30.0 1178.602539 24.0 1182.363281 21.0 END IONS BEGIN IONS SCANS=121 PEPMASS=243.06152 CHARGE=-1 COLLISION_ENERGY=0.0 66.034309 530.0 82.029129 2435.733398 89.024887 94.0 94.027733 129.0 96.04512 131.0 99.92778 104.0 108.046074 331.0 110.023933 9931.703125 111.025421 793.188782 122.02433 884.0 124.040871 303.0 140.034409 1071.0 152.03511 1731.0 153.031769 692.0 155.953445 172.0 164.032303 78.0 182.047333 105.146812 187.042938 95.0 200.055374 2719.057617 201.057434 285.0 202.059235 56.0 265.147369 18.0 265.377045 18.0 277.985535 22.0 287.066895 30.0 289.231476 30.000002 311.175903 19.0 312.170441 37.0 319.92923 22.0 380.403473 19.0 385.219971 18.0 396.944824 18.0 404.022125 23.0 410.122009 23.0 414.524689 18.0 415.329193 29.0 429.600525 18.0 481.243622 19.0 495.120941 40.0 509.217133 17.0 547.634705 17.0 567.631287 95.0 579.633789 17.0 620.211975 20.0 645.440369 18.0 657.499207 18.0 684.269104 20.0 685.106628 18.0 758.499939 20.0 759.496399 22.0 786.540161 21.0 787.523499 28.0 808.492981 18.0 824.30603 18.0 904.631348 19.0 909.513428 18.0 934.463379 52.0 966.165161 21.0 1008.499512 17.0 1013.237244 18.0 1026.184937 18.0 1060.588623 20.0 1068.460083 19.0 1103.359131 17.0 1139.25293 23.0 END IONS BEGIN IONS SCANS=122 PEPMASS=254.06651 CHARGE=0 COLLISION_ENERGY=0.0 56.016834 47.0 71.013901 49.0 89.024948 93.0 91.017548 80.0 92.658432 38.0 99.006302 56.0 100.003975 795.409241 108.01963 180.0 115.019768 202.0 122.037971 553.007812 123.043976 639.0 136.016006 281.0 164.03299 467.238098 165.04126 389.680847 176.032562 271.0 180.067993 371.0 191.020966 247.0 192.064972 864.0 206.047379 321.0 207.048553 40.0 208.066299 46.0 210.073471 39.0 224.057968 543.0 225.06189 59.0 285.15506 29.0 339.100708 22.0 339.183533 18.0 375.138062 20.0 387.21637 20.0 399.008331 21.0 413.281982 19.0 415.969513 18.0 417.516144 21.0 422.738831 18.0 435.102325 18.0 441.085663 20.0 453.150421 18.0 463.783783 21.0 465.552368 18.0 495.124664 19.0 500.151276 18.0 501.149628 20.0 509.128998 18.0 544.043762 24.0 558.119507 39.0 563.144287 18.0 576.303467 29.0 643.308533 22.0 662.350647 18.0 687.279602 18.0 696.153564 19.0 698.201172 22.0 724.157288 17.0 729.311462 21.0 730.467041 18.0 735.394958 18.0 772.258423 18.0 802.120056 34.0 816.168701 17.0 826.138916 18.0 902.818115 48.0 926.623718 18.0 929.339905 24.0 937.044067 22.0 938.406799 17.0 997.134888 17.0 1011.296204 20.0 1041.260986 23.0 1074.299072 17.0 1081.686646 17.0 1104.433716 18.0 1107.268921 18.0 1129.945435 22.0 1146.561401 22.0 1147.449463 17.0 1150.372314 21.0 1169.591797 20.0 1179.183594 17.0 1179.270142 17.0 END IONS BEGIN IONS SCANS=123 PEPMASS=441.16111 CHARGE=-1 COLLISION_ENERGY=0.0 59.012932 622.0 71.013916 1043.0 73.029961 138.0 89.02375 2106.0 90.028419 155.0 97.033829 137.0 101.022438 554.0 101.060242 1681.851318 113.023193 312.0 125.023552 849.0 131.034836 1085.0 149.045914 2358.545654 150.057724 168.0 151.049866 81.0 173.045776 39.0 175.034103 47.0 185.075073 42.0 191.055984 486.0 215.057663 72.0 220.997055 48.0 221.063889 24.0 233.067093 395.0 234.068802 54.0 235.072983 27.0 265.148224 331.0 266.154846 25.0 293.086975 4037.18335 294.088318 472.0 295.092041 127.0 296.096863 63.0 305.059509 21.0 308.016418 25.0 313.104065 20.0 319.065582 26.0 329.998962 23.0 342.34021 20.0 358.187775 24.0 371.073303 20.0 376.167694 27.0 395.156708 745.0 396.160797 152.0 397.095001 20.0 467.236328 22.0 470.511017 17.0 472.516205 23.0 484.193848 28.999998 500.393402 20.0 570.204529 20.0 574.068115 31.0 580.248169 27.0 652.206604 18.0 666.062378 20.0 834.53479 28.0 917.857239 21.0 980.236389 20.0 1047.031494 23.0 1085.238647 23.0 END IONS BEGIN IONS SCANS=124 PEPMASS=386.14499 CHARGE=0 COLLISION_ENERGY=0.0 64.385597 22.0 73.026527 35.0 83.927521 47.0 89.050919 28.0 94.917648 25.0 99.945602 32.0 110.599869 21.0 119.033127 23.0 129.014862 20.0 131.22229 65.0 133.176559 21.0 149.841873 35.0 173.095596 27.0 177.041809 69.0 178.086227 1346.0 179.094009 96.0 180.356705 31.0 199.948364 26.0 205.083191 18.0 207.011581 21.0 210.071701 18.0 220.428284 21.0 225.863892 23.0 246.014816 25.0 253.230484 21.0 260.571381 26.0 272.101105 25.0 281.254669 22.0 293.992096 27.0 295.952362 47.0 311.031799 31.0 311.173767 28.0 319.097565 24.0 339.195618 25.0 340.138763 44.0 348.196564 23.0 365.094788 38.0 407.170502 18.0 407.396637 20.0 431.630066 18.0 445.215088 18.0 449.093414 18.0 470.176239 27.0 473.284332 20.0 528.129211 18.0 609.190491 19.0 621.919434 22.0 656.601196 18.0 665.155334 18.0 688.496765 47.0 715.512695 22.0 716.530945 35.0 718.132812 20.0 734.895142 22.0 759.46637 20.0 787.509949 19.0 794.357788 18.0 799.555237 20.0 805.48645 85.0 806.501282 18.0 808.511169 38.0 832.51355 51.0 833.526489 92.0 835.503479 20.0 858.539673 22.0 859.520691 20.0 860.558472 19.0 862.553589 74.0 864.552856 18.0 935.456055 17.0 953.48468 18.0 959.341431 18.0 960.467896 20.0 981.888367 17.0 1035.41687 17.0 1058.697021 20.0 1068.481934 18.0 1069.792603 20.0 1120.049072 18.0 1128.200928 20.0 1144.413574 17.0 1145.427856 17.0 1153.648315 21.0 1169.651733 18.0 1183.673706 18.0 END IONS BEGIN IONS SCANS=125 PEPMASS=423.09467 CHARGE=-1 COLLISION_ENERGY=0.0 71.014839 88.802094 81.036133 97.0 85.011208 188.557098 85.028244 172.0 89.005142 275.0 99.006668 116.0 101.023285 120.0 113.023834 337.475189 125.024147 251.0 127.019226 572.0 141.019699 245.013412 143.034363 123.0 156.034805 124.0 157.031342 362.0 169.03186 362.87561 173.024948 94.0 186.039215 75.0 187.041321 248.590469 215.035736 615.0 228.055695 253.374542 229.052338 1185.453735 230.054657 114.0 233.041458 139.0 245.044281 83.0 259.064697 208.0 271.064941 184.0 274.062225 257.0 275.05719 2353.0 276.058899 273.0 277.066284 141.0 305.066223 395.0 316.069214 92.0 317.065674 327.721252 330.081726 84.0 331.084473 493.0 332.087524 88.0 362.075775 91.0 363.071014 433.0 364.078003 84.0 376.089233 293.0 377.090149 1436.0 378.094574 202.0 506.516113 19.0 526.608948 20.0 539.119568 17.0 611.752319 19.0 619.294922 22.0 660.793335 20.0 712.941345 20.0 733.932678 18.0 805.49054 19.0 836.529297 17.0 991.061462 38.0 1020.534241 18.0 1050.585327 20.0 1077.24292 29.0 1097.214966 22.0 1099.010742 18.0 1152.436279 20.0 1171.485107 17.0 1172.73645 17.0 END IONS BEGIN IONS SCANS=126 PEPMASS=805.48721 CHARGE=-1 COLLISION_ENERGY=0.0 71.188972 18.0 75.018166 18.0 81.67498 18.0 89.802628 18.0 91.46537 20.0 116.926872 18.0 125.355019 21.0 145.527817 23.0 152.998444 143.0 157.04451 49.0 168.7565 17.0 171.004395 24.0 198.372955 26.0 200.098267 18.0 204.709732 18.0 223.001495 89.0 227.202621 20.0 241.008667 597.0 242.012405 51.0 253.217361 779.0 255.235336 228.0 256.235748 35.0 263.085693 34.0 279.230042 43.0 297.041718 146.0 300.733459 20.0 315.057983 56.0 316.610413 18.0 325.195892 34.0 330.885925 18.0 343.753357 44.0 362.029877 20.0 363.196899 25.0 381.223877 21.0 389.207794 366.0 390.210114 24.0 391.219727 80.0 400.675354 20.0 402.27417 23.0 407.204865 18.0 409.238953 20.0 410.246918 24.0 415.228333 20.0 480.108765 18.0 514.871277 18.0 543.264954 19.0 551.129578 21.0 551.263977 371.0 552.258728 41.0 553.279602 221.0 554.282471 105.0 572.289673 19.0 610.574524 18.0 648.234558 19.0 685.508972 18.0 688.529053 19.0 689.809814 20.0 697.1745 18.0 708.137573 22.0 717.531494 22.0 727.083496 25.0 744.478149 29.0 760.18219 18.0 766.291199 20.0 767.095642 18.0 833.520569 245.0 835.516846 135.0 857.537354 22.0 858.518555 43.0 859.538025 59.0 860.515991 18.0 861.536804 84.0 861.725098 39.0 915.05603 21.0 927.540527 18.0 929.55011 18.0 932.523254 18.0 934.46936 18.0 941.548767 17.0 950.550476 21.0 960.362244 41.0 960.439514 18.0 961.484863 37.0 974.428467 18.0 1003.533936 22.0 1004.488037 19.0 1051.569214 18.0 1068.752441 18.0 1075.599243 22.0 1082.631226 18.0 1105.711304 18.0 1121.645752 18.0 1129.969238 22.0 1144.65625 18.0 1157.299072 37.0 1166.788086 20.0 END IONS BEGIN IONS SCANS=127 PEPMASS=808.5054 CHARGE=-1 COLLISION_ENERGY=0.0 134.992462 20.0 137.639862 22.0 152.99649 123.0 166.047638 18.0 175.975952 29.0 221.093063 24.0 223.004227 64.0 241.01001 202.0 241.683533 18.0 242.018173 18.0 244.024994 18.0 253.216461 257.0 254.2258 71.0 255.234375 293.268768 279.235931 29.0 297.041016 36.0 298.055756 23.0 325.187805 210.0 326.186066 17.0 340.080841 20.0 390.20871 48.0 391.223053 180.0 392.227417 62.0 551.254028 62.0 552.265137 36.0 553.270752 150.0 554.281738 45.0 571.308289 59.0 572.289124 37.0 625.110718 18.0 674.251404 17.0 687.273071 24.0 723.805298 19.0 786.403442 17.0 END IONS BEGIN IONS SCANS=128 PEPMASS=431.11893 CHARGE=-1 COLLISION_ENERGY=0.0 59.013111 8561.289062 71.013107 7779.011719 85.02903 968.542542 89.023872 13556.547852 93.033836 1099.0 95.012955 454.996368 101.023582 11775.0 113.024002 7519.0 119.035034 9074.442383 121.029037 8117.445801 137.060684 3514.007568 147.044601 5973.612793 161.044495 1439.074829 165.055389 17303.810547 166.058304 1912.457275 179.055267 2259.4104 183.066162 1407.94873 191.03447 496.0 207.066193 1727.0 208.066116 237.0 209.043579 242.0 225.076996 3219.0 226.07991 456.0 233.044601 537.0 251.055542 13906.274414 252.05986 2106.0 253.059967 274.0 269.066742 2791.0 270.069427 304.752563 293.074799 78.0 305.105896 24.0 323.09668 25.0 327.108704 293.0 334.629913 60.0 337.256226 28.0 346.128937 24.0 353.088043 150.0 371.096497 653.0 372.103394 58.0 387.13681 82.0 389.109497 255.0 391.119751 56.0 460.809296 22.0 468.203461 20.0 480.529724 19.0 497.982422 20.0 508.070618 19.0 523.877197 34.0 546.912781 30.0 566.515503 26.0 572.35022 22.0 585.165466 22.0 617.22406 23.0 712.685486 21.0 787.471802 29.0 805.230164 19.0 832.365723 18.0 863.249634 60.0 864.239563 40.0 931.22168 18.0 966.346436 38.0 972.085571 18.0 END IONS BEGIN IONS SCANS=129 PEPMASS=494.11499 CHARGE=0 COLLISION_ENERGY=0.0 61.988335 1437.0 71.013344 58.0 73.813896 27.0 88.325951 36.0 89.024399 68.0 93.547897 26.0 101.023376 55.0 107.510201 26.0 107.529907 30.0 113.023933 45.0 119.034294 41.0 119.052177 23.0 165.0513 56.651451 166.941467 21.0 180.478394 22.0 184.926392 29.0 185.114975 23.0 188.11293 22.0 200.317978 20.0 207.007248 58.0 207.066513 26.0 225.074966 20.0 229.994263 21.0 239.542892 19.0 251.055145 125.0 258.878479 24.0 265.149384 35.0 269.070679 21.0 270.989288 37.0 271.269135 22.0 311.71405 27.0 315.973724 23.0 325.093719 21.0 328.146545 29.0 330.235229 26.0 338.46283 24.0 351.18277 19.0 351.452301 29.0 362.870148 27.0 379.316071 28.0 392.234436 22.0 398.226959 22.0 400.576355 51.0 407.009796 26.0 431.120758 1606.0 432.119019 275.0 433.12674 39.0 434.126801 66.0 465.139435 22.0 525.494629 18.0 531.051941 20.0 532.04187 20.0 540.124634 21.0 546.132751 17.0 568.283936 21.0 598.172913 18.0 634.235413 22.0 647.177551 21.0 656.187439 18.0 688.500549 18.0 706.849609 20.0 716.538879 20.0 781.283997 18.0 807.258301 18.0 807.494141 30.0 835.510193 38.0 836.545593 18.0 848.40625 29.0 863.25293 198.0 864.259338 152.0 865.261292 56.0 867.228699 27.0 871.224792 39.0 886.255432 19.0 901.218018 18.0 917.143677 38.0 917.298584 18.0 919.465942 20.0 925.1745 22.0 934.355957 23.0 974.346924 18.0 1041.33374 22.0 1048.450439 17.0 1054.183594 21.0 1108.391602 22.0 1120.952759 37.0 1122.589966 18.0 1152.651611 18.0 1162.082764 25.0 1172.204468 24.0 1176.814697 18.0 1183.913574 20.0 END IONS BEGIN IONS SCANS=130 PEPMASS=863.24663 CHARGE=-1 COLLISION_ENERGY=0.0 59.01366 1553.0 71.012573 1031.0 83.015068 95.0 89.023933 3355.0 90.02681 183.0 93.033714 157.0 101.023651 2099.0 113.023338 1341.0 119.034615 2845.431152 121.029716 614.0 143.035812 511.0 147.044662 908.0 161.044891 1067.653931 165.05542 5783.0 166.058487 335.0 179.054413 2161.314209 183.065628 521.0 191.034378 257.0 207.066895 483.0 209.043365 120.0 219.069489 73.0 225.075912 2106.0 226.078186 438.156738 233.046692 199.0 251.055557 8287.443359 252.059601 1213.0 253.059128 171.0 269.066772 2987.0 270.067902 261.0 293.067566 120.0 309.096039 41.0 327.109436 133.0 328.119873 90.0 342.524231 26.0 345.112 72.565529 345.134552 33.0 353.093445 116.0 354.095154 61.0 371.097198 306.0 372.097046 92.0 389.107056 236.0 390.115875 146.0 413.106415 188.0 431.118134 126719.0 431.213226 5956.0 432.122131 28443.166016 433.124146 6220.702148 434.127869 613.323425 453.048859 18.0 453.093964 18.0 461.421906 20.0 467.073456 20.0 485.027771 20.0 498.984375 23.0 501.467682 20.0 523.268555 18.0 530.228638 25.0 531.065979 22.0 559.003967 20.0 560.498962 17.0 562.471802 18.0 599.183533 18.0 602.548584 20.0 642.17981 20.0 671.577271 18.0 693.201294 24.0 697.340881 21.0 702.182373 18.0 708.815491 32.0 741.808044 22.0 745.425354 18.0 748.506592 17.0 760.094604 18.0 773.512878 21.0 777.106323 22.0 804.373718 18.0 807.493408 36.0 821.467529 21.0 829.364319 18.0 833.26416 17.0 901.206482 21.0 916.161316 19.0 917.175781 55.0 918.155396 25.0 939.379639 21.0 943.407593 17.0 966.35022 92.0 967.362915 18.0 968.336243 18.0 973.285889 18.0 998.875671 20.0 1008.331116 28.0 1031.404663 33.0 1097.806396 21.0 1145.447876 21.0 1183.314087 18.0 END IONS BEGIN IONS SCANS=131 PEPMASS=201.08768 CHARGE=-1 COLLISION_ENERGY=0.0 72.044594 3283.125977 73.048332 162.0 74.024033 65.0 83.061104 162.0 84.045815 188.0 98.061874 148.0 109.039719 557.0 127.050995 3975.037598 128.035614 751.9104 139.086624 4387.442383 140.091461 389.292786 145.061829 2603.370361 157.097687 431.0 261.053406 18.0 271.930664 20.0 279.051208 23.0 284.07254 24.0 287.268982 19.0 296.662659 25.0 302.001923 20.0 318.288879 45.0 321.924835 19.0 325.188538 38.0 326.183502 23.0 339.204773 92.0 354.209351 30.0 379.189117 18.0 381.0224 25.0 388.177704 20.0 421.113861 29.0 432.011292 30.0 510.234894 17.0 524.123962 27.0 527.048767 18.0 563.215576 30.0 589.986267 22.0 634.034241 26.0 636.022339 20.0 676.199463 18.0 716.522217 18.0 744.060486 18.0 790.154114 17.0 791.315613 25.0 807.506409 17.0 835.534851 44.0 838.510315 35.0 847.977966 26.999998 1005.065979 28.0 1007.469482 18.0 1018.260925 17.0 1044.576538 20.0 1044.742188 17.0 1054.716919 18.0 1060.651489 24.0 1063.737915 17.0 1066.900391 18.0 1123.362427 17.0 1137.41687 18.0 1151.43811 18.0 1155.50415 19.0 1164.021118 18.0 1172.536011 20.0 1188.415894 19.0 1193.582031 29.0 END IONS BEGIN IONS SCANS=132 PEPMASS=181.07116 CHARGE=0 COLLISION_ENERGY=0.0 55.017727 42.0 59.012264 115.0 71.013168 387.0 73.030624 56.0 85.027199 79.0 89.023277 166.0 101.022896 237.0 102.023186 67.0 108.04393 238.0 119.035164 61.0 138.056305 338.0 139.057144 39.0 203.968292 17.0 227.816437 22.0 242.629517 24.0 243.888046 18.0 313.053589 18.0 324.131317 18.0 327.698212 18.0 352.683167 18.0 363.080811 18.0 366.704254 22.0 375.479004 18.0 391.797882 19.0 451.336121 21.0 556.614136 18.0 595.321045 19.0 613.267273 17.0 651.343933 18.0 756.466431 18.0 815.408142 20.0 875.112427 18.0 1058.616943 17.0 1127.964722 19.0 END IONS BEGIN IONS SCANS=133 PEPMASS=379.16045 CHARGE=-1 COLLISION_ENERGY=0.0 59.012978 184.0 61.98542 36.0 71.011948 176.0 85.034813 35.0 89.023506 292.0 99.040985 28.0 101.022453 226.0 113.025528 153.0 119.03405 94.0 120.034439 52.0 131.033493 54.0 149.044418 145.0 153.019653 31.999998 161.0466 38.0 161.908371 26.0 179.059113 97.0 180.971146 25.0 195.047958 27.0 206.799011 21.0 210.009537 27.0 213.858276 21.0 215.965805 22.0 218.937927 22.0 221.795639 27.0 253.075378 20.0 254.014313 18.0 271.023193 25.0 276.08783 37.0 280.094635 24.0 291.109741 28.0 301.122498 18.0 301.623718 22.0 311.157349 18.0 317.052216 168.0 318.053925 22.0 332.978882 23.0 403.760742 31.0 423.216675 17.0 425.055573 28.0 432.11676 18.0 442.154755 18.0 454.348083 18.0 477.080353 25.0 480.13855 18.0 484.390839 21.0 494.459076 24.0 512.703308 21.0 525.71051 18.0 542.945679 18.0 597.21521 18.0 625.71283 18.0 627.428284 18.0 645.322693 19.0 649.701477 18.0 654.33374 18.0 670.960388 21.0 692.315796 18.0 701.188171 20.0 708.130493 18.0 708.379333 18.0 719.316467 18.0 732.137573 20.0 924.139404 18.0 961.137756 18.0 961.23114 17.0 968.232483 18.0 973.293823 18.0 1002.388733 28.0 1010.479309 21.0 1123.194336 20.0 1173.229492 18.0 1184.528931 27.0 1190.913452 17.0 END IONS BEGIN IONS SCANS=134 PEPMASS=425.16594 CHARGE=-1 COLLISION_ENERGY=0.0 59.012714 863.0 71.013618 1408.995605 85.029388 64.0 87.009315 111.0 89.024017 4048.0 97.030693 94.316803 101.023514 2088.0 113.023277 891.0 119.034363 1668.0 131.035355 1263.0 143.034775 464.0 149.045181 3892.0 150.046219 243.0 161.044968 810.0 175.023926 164.0 179.055161 2379.0 180.06012 137.0 191.055466 971.279236 215.050659 43.0 221.064484 122.0 233.071793 60.0 247.118637 2691.884033 248.123383 300.578461 249.132523 53.0 251.080246 105.0 281.089539 58.0 285.554474 45.0 293.08783 76.0 295.022552 57.0 298.065277 58.999996 311.104218 112.0 312.099213 22.0 314.081024 23.0 318.060364 19.0 326.071716 22.0 342.515015 24.0 353.131561 34.0 379.112976 36.0 379.159882 7807.0 380.165833 1620.0 381.166351 271.0 382.169403 38.0 477.13739 18.0 501.139526 18.0 529.187744 27.0 547.305725 20.0 557.749329 18.0 580.196899 30.999998 588.267944 22.0 611.207581 20.0 631.512024 19.0 656.208984 17.0 666.293213 20.0 669.664246 18.0 752.196228 20.0 753.118958 38.0 765.346985 27.0 771.302551 22.0 773.040466 20.0 825.215088 19.0 827.102417 20.0 871.168884 18.0 871.289368 17.0 876.181274 21.0 881.231018 17.0 897.037903 18.0 971.072571 17.0 1068.19458 26.0 1072.169678 18.0 1074.276733 21.0 1120.332764 22.0 1139.421509 18.0 1142.283447 18.0 END IONS BEGIN IONS SCANS=135 PEPMASS=415.13719 CHARGE=-1 COLLISION_ENERGY=0.0 59.011898 58.0 71.015991 65.0 73.029114 23.0 82.038002 22.0 88.991913 34.0 89.024315 76.0 116.931488 45.0 128.031158 158.0 135.044342 125.0 137.065765 82.0 147.045181 164.0 149.042755 42.0 165.057816 331.0 169.097931 26.0 180.976517 54.0 181.036255 23.0 183.06424 96.0 191.029907 39.0 209.047867 26.0 211.188049 25.0 217.929611 41.0 227.981354 23.0 236.143082 29.000002 239.003693 50.0 250.150803 26.0 257.685669 21.0 261.037201 22.0 266.002899 22.0 271.085968 20.0 290.028259 42.0 302.193512 18.0 329.068359 20.0 355.16095 96.0 368.11203 26.0 371.09613 201.0 372.101562 89.0 381.147888 29.0 389.110718 68.0 444.965729 24.0 473.585541 28.0 END IONS BEGIN IONS SCANS=136 PEPMASS=442.15577 CHARGE=0 COLLISION_ENERGY=0.0 61.987896 1366.055298 63.990513 22.0 67.780663 22.0 74.600235 18.0 81.565201 81.0 96.957466 51.244701 118.99279 22.0 128.036713 169.0 135.973343 23.0 136.990509 41.0 139.044846 49.0 149.032715 25.0 151.738281 26.0 153.088547 23.0 164.044037 26.0 164.07428 30.0 167.043747 53.0 167.947449 22.0 201.125397 24.0 215.995453 18.0 225.118668 22.0 234.915268 18.0 245.079346 22.0 246.022934 38.0 267.015778 20.0 269.159424 20.0 274.084412 29.0 279.06311 59.0 289.876892 26.0 296.053101 22.0 303.121552 27.0 310.995758 92.0 321.110474 27.0 325.283997 26.0 327.117279 22.0 339.09079 21.0 353.165222 20.0 371.087067 25.0 381.897369 24.0 396.20105 42.0 397.310822 21.0 399.254944 46.0 407.893951 18.0 715.344849 26.0 762.518738 22.0 END IONS BEGIN IONS SCANS=137 PEPMASS=508.20299 CHARGE=-1 COLLISION_ENERGY=0.0 52.357037 47.0 52.480827 78.0 59.017719 27.0 64.572876 22.0 91.001289 23.0 96.056107 26.0 128.034592 42648.0 128.087372 250.0 128.962646 91.0 129.037537 2825.052734 130.038727 493.813293 136.988068 101.0 160.00618 25.0 161.0401 35.0 164.06604 26.0 165.058029 46.0 171.078369 36.0 191.178909 25.0 201.092438 38.0 202.942688 25.0 212.967667 24.0 235.913437 22.0 245.127777 25.0 249.07457 36.0 259.093262 28.0 260.395782 22.0 270.533844 25.0 273.10434 23.0 297.150452 48.0 298.140717 40.0 300.019196 20.0 300.959503 20.0 307.125824 29.0 315.110138 22.0 325.193695 38.0 339.895172 37.0 374.811584 21.0 376.032196 22.0 378.022919 29.0 379.072754 22.0 381.070465 35.0 397.074066 22.0 406.825745 22.0 411.225769 19.0 427.155273 21.0 431.116699 84.0 432.123138 39.0 434.173737 27.0 462.168304 20.0 463.228424 53.0 465.245758 29.0 469.137665 33.0 471.031494 23.0 477.177704 43.0 548.941284 28.0 576.129639 18.0 590.212463 17.0 605.242859 23.0 626.290894 18.0 648.186157 18.0 650.193359 18.0 652.241821 22.0 661.231689 18.0 662.179321 20.0 692.098816 19.0 697.26947 18.0 705.16272 18.0 705.329895 18.0 714.115845 18.0 741.10437 18.0 767.299927 40.0 779.291992 17.0 793.229614 21.0 821.219971 30.0 822.289185 18.0 833.441284 18.0 847.43396 18.0 880.161987 18.0 891.571716 18.0 897.107971 23.0 901.17804 17.0 905.2724 27.0 908.261414 17.0 927.206299 22.0 933.239807 18.0 952.310974 22.0 956.263733 17.0 978.262695 27.0 997.280212 21.0 1015.167053 19.0 1025.187622 29.999998 1028.327026 25.0 1057.106567 17.0 1060.177612 17.0 1067.760864 18.0 1075.085449 26.0 1111.238159 17.0 1122.120728 25.0 1125.269165 23.0 1138.276611 29.0 1141.153442 19.0 1148.488892 17.0 1160.380493 23.0 1163.238525 20.0 1176.202148 21.0 1193.737915 18.0 1197.257202 18.0 END IONS BEGIN IONS SCANS=138 PEPMASS=233.01181 CHARGE=0 COLLISION_ENERGY=0.0 79.957237 171.0 80.964287 122.0 95.014915 50.0 95.053558 42.0 96.960823 64.0 97.944847 37.0 115.018387 71.0 117.051987 68.981308 123.045082 4539.417969 124.048889 322.0 141.937469 68.0 142.947861 87.581734 153.055603 5667.0 154.058716 596.0 155.063004 61.0 157.930969 43.0 158.937759 67.0 191.040619 48.0 278.088196 17.0 290.63147 28.0 404.16095 18.0 455.86792 20.0 496.973267 18.0 514.075562 19.0 END IONS BEGIN IONS SCANS=139 PEPMASS=128.03475 CHARGE=-1 COLLISION_ENERGY=0.0 66.359306 33.0 80.476982 27.0 82.029579 161.0 83.033485 44.0 84.047798 27.0 84.867249 24.0 152.862823 37.0 152.883118 18.0 179.080078 22.0 186.903473 18.0 199.998016 18.0 201.097717 21.0 207.016327 30.0 221.166382 20.0 226.048431 21.0 227.67128 24.0 234.856689 23.0 264.023254 20.0 279.05365 25.0 280.056061 42.0 289.033081 23.0 297.153259 18.0 307.269012 25.0 311.174774 25.0 330.020355 23.0 332.982666 22.0 339.200714 25.0 342.9888 25.0 354.111633 22.0 384.046539 17.0 405.017822 20.0 413.089447 22.0 421.956268 20.0 452.978485 23.0 469.613647 18.0 485.071198 18.0 493.033264 38.0 527.24054 20.0 548.379333 31.0 611.312439 18.0 639.007629 22.0 654.974304 19.0 659.156067 18.0 726.040283 18.0 768.88208 22.0 805.491333 50.0 806.509521 24.0 807.500977 25.0 820.105957 37.0 831.502808 32.0 832.494507 22.0 917.302856 19.0 932.305969 18.0 935.72522 18.0 951.202454 20.0 957.944824 22.0 1005.921692 18.0 1025.7771 20.0 1027.025146 21.0 1035.448364 35.0 1038.847656 19.0 1050.582886 23.0 1053.660156 25.0 1135.069458 17.0 1175.864868 19.0 1184.583984 17.0 1193.341431 18.0 END IONS BEGIN IONS SCANS=140 PEPMASS=227.9599 CHARGE=0 COLLISION_ENERGY=0.0 82.028908 1425.0 83.031204 66.0 84.940216 97.0 98.024391 1367.62085 99.026253 78.0 99.926529 285.443756 100.933022 1147.0 101.933655 158.0 109.933029 214.393799 126.019379 1514.407959 128.031982 152.0 137.966888 126.282547 165.959824 603.0 166.960678 145.466034 181.953735 767.0 182.953964 140.0 183.971893 189.600891 191.93663 235.0 201.090866 33.0 250.537445 18.0 256.933411 20.0 270.139313 17.0 279.062836 37.0 284.074219 44.0 298.166107 18.0 311.158417 18.0 319.731537 24.0 326.179047 21.0 334.268799 20.0 340.212921 23.0 340.872894 23.0 392.165955 18.0 420.992706 18.0 423.785309 18.0 453.047821 22.0 472.908264 20.0 497.035736 26.0 501.172394 18.0 518.420959 17.0 520.828674 27.0 539.34436 18.0 553.319519 20.0 565.298889 34.0 575.227783 22.0 607.922058 34.0 638.762207 18.0 663.236206 19.0 716.523743 23.0 796.084839 18.0 828.17572 18.0 836.539673 19.0 861.237488 24.0 867.386597 20.0 870.157104 20.0 902.180298 24.0 1021.676575 18.0 1025.462646 18.0 1036.217285 39.0 1037.160767 17.0 1042.622925 18.0 1071.02002 27.0 1083.640869 19.0 1088.757202 27.0 1089.564087 20.0 1091.0354 19.0 1098.401733 18.0 1100.028687 18.0 1132.229126 18.0 1154.949585 17.0 1159.410522 20.0 1176.001343 18.0 1192.149414 25.0 END IONS BEGIN IONS SCANS=141 PEPMASS=279.0592 CHARGE=0 COLLISION_ENERGY=0.0 54.966316 22.0 82.028709 22.0 83.931648 30.0 89.022278 26.0 96.957115 45.0 99.925087 35.0 105.535973 22.0 122.616249 24.0 126.937897 24.0 128.035049 6295.0 129.038086 338.0 130.040863 26.0 155.952103 98.0 177.965515 21.0 178.967941 21.0 192.969421 25.0 193.977402 27.0 194.964035 208.0 205.376236 20.0 212.346451 24.0 215.050354 39.0 221.006271 26.0 222.554214 19.0 234.998932 24.0 415.78241 18.0 448.686401 22.0 1002.725891 21.0 END IONS BEGIN IONS SCANS=142 PEPMASS=338.10879 CHARGE=0 COLLISION_ENERGY=0.0 69.758034 20.0 82.028648 71.0 83.93187 114.0 85.030502 22.0 89.022514 24.0 96.956932 38.0 116.930672 66.0 128.03447 35062.042969 128.085571 88.0 129.038284 2571.0 130.040527 298.0 148.958298 100.0 166.97023 269.0 167.96521 62.0 171.065186 42.0 181.074234 91.0 183.009918 302.0 194.965225 84.0 202.850967 34.0 203.957962 56.0 205.95137 42.0 208.964722 44.0 210.955307 1283.46228 211.951859 144.012375 257.014526 24.0 259.982483 24.0 260.977631 17.0 268.878845 21.0 277.950989 18.0 279.017365 17.0 360.393372 19.0 462.588196 18.0 565.723022 18.0 END IONS BEGIN IONS SCANS=143 PEPMASS=427.12655 CHARGE=0 COLLISION_ENERGY=0.0 51.52343 27.0 57.055092 29.0 61.007687 24.0 74.989227 31.0 97.031792 46.0 99.028 50.0 101.024643 88.0 113.020096 55.0 115.019638 39.0 121.969589 43.0 128.033798 213.0 141.898514 34.0 163.059555 95.0 168.048996 45.0 171.050156 231.0 188.062027 93.0 189.057251 598.0 190.060257 45.0 207.07103 25.0 208.075775 36.0 210.924362 29.0 231.068115 69.0 236.982605 42.0 245.088928 47.195484 261.078827 96.0 279.058075 170.0 291.093414 56.0 297.012207 31.0 297.958221 46.0 299.948486 59.0 310.998138 27.0 329.125641 26.0 334.11853 521.0 335.113678 2686.725586 336.120605 260.971069 337.046814 26.0 352.126251 104.0 353.126923 348.0 380.123047 427.860779 381.121796 1744.0 382.125458 354.0 383.113098 66.0 486.804626 18.0 618.417786 18.0 631.128723 27.0 670.822815 19.0 885.194641 30.0 1004.68457 22.0 1069.080688 22.0 1110.446167 17.0 1193.938965 18.0 END IONS BEGIN IONS SCANS=144 PEPMASS=510.18298 CHARGE=0 COLLISION_ENERGY=0.0 51.407265 24.0 61.986095 17.0 80.957504 20.0 84.009422 31.0 89.027657 18.0 103.164627 24.0 124.455284 24.0 128.03476 9410.0 129.038193 884.0 131.05011 20.0 136.990967 41.0 151.703918 35.0 159.099686 21.0 161.055847 18.0 179.050797 25.0 188.0457 22.0 196.025711 24.0 214.159103 24.0 219.843735 18.0 261.958954 21.0 265.146973 20.0 281.079132 22.0 293.917511 18.0 311.16571 55.0 321.976501 38.0 325.199799 21.0 330.602081 18.0 341.060333 20.0 348.008209 22.0 351.955414 30.0 354.944153 18.0 377.983856 20.0 378.903381 20.0 381.14328 21.0 393.068298 22.0 403.247131 34.0 418.92807 18.0 427.117493 17.0 451.20108 19.0 463.227997 38.0 463.269348 39.725231 473.873657 24.0 477.270752 39.0 580.164734 28.0 704.160706 20.0 762.715698 18.0 801.831299 20.0 END IONS BEGIN IONS SCANS=145 PEPMASS=428.11891 CHARGE=-1 COLLISION_ENERGY=0.0 50.242786 28.0 54.434898 29.0 65.274307 43.0 82.027672 39.0 84.940964 23.0 93.030373 92.0 128.035278 34893.0 128.086426 107.784935 128.799332 70.0 129.03862 2673.857422 130.041199 277.0 137.023956 539.0 150.135284 32.0 151.049133 48.0 153.665573 25.0 160.474701 27.0 182.767868 38.0 188.12413 23.0 203.053787 21.0 207.016891 47.0 209.954773 24.0 217.930252 59.0 219.988449 21.0 238.056152 23.0 276.92749 20.0 279.064026 75.0 280.058594 22.0 281.071838 21.0 296.207397 20.0 299.080658 20.0 307.015259 18.0 309.979614 18.0 312.073853 21.0 339.017456 18.0 342.191833 21.0 345.632446 20.0 362.134369 18.0 364.912048 33.0 365.999939 18.0 369.837372 18.0 371.202637 18.0 384.060791 31.0 400.870087 70.0 406.939972 31.0 498.292206 23.0 565.238342 19.999998 599.160156 18.0 604.191467 23.0 622.149719 17.0 633.038025 21.0 635.909851 18.0 656.773987 18.0 664.08606 35.0 679.436951 21.0 846.204468 23.999998 920.768188 19.0 976.121033 18.0 1002.617859 26.0 1007.452026 18.0 1009.571594 18.0 1025.215942 18.0 1066.110229 21.0 1101.752075 21.0 1105.085327 18.0 1112.329956 22.0 1131.721436 24.0 1142.24353 28.0 1163.760498 22.0 1166.137817 23.0 1172.164795 28.0 1175.88855 30.0 1176.672974 23.0 1197.066528 20.0 END IONS BEGIN IONS SCANS=146 PEPMASS=283.0845 CHARGE=0 COLLISION_ENERGY=0.0 71.050186 65.0 85.069588 72.0 93.846809 37.0 96.959259 3639.292725 97.956856 60.0 98.955658 246.0 106.520401 31.999998 113.059242 94.0 114.939171 38.0 127.922043 32.0 128.034485 70.0 137.060989 36.0 151.025024 159.0 153.018875 41.0 164.899887 28.0 169.972122 40.0 185.118652 58.0 194.966858 91.0 200.059708 38.0 203.13063 519.0 204.135468 151.0 237.046387 55.0 238.63913 42.0 238.864532 53.0 254.54483 23.0 307.062347 20.0 312.053955 48.0 325.186737 35.0 329.049011 24.0 330.743713 23.0 341.050903 19.0 358.940887 18.0 363.920044 22.0 387.060089 19.0 401.13385 17.0 408.057648 19.0 417.107147 98.0 417.232086 21.0 420.116852 19.0 435.199585 19.0 450.276093 22.0 451.043457 22.0 457.830963 18.0 463.235138 19.0 490.03418 17.0 517.021301 18.0 531.585449 18.0 540.160278 20.0 545.125549 17.0 562.268921 20.0 568.916321 18.0 593.139893 18.0 621.110962 17.0 623.227356 17.0 644.207153 23.0 653.004761 22.0 661.071167 20.0 667.212646 18.0 672.15332 19.0 694.227722 18.0 697.464905 20.0 705.244385 18.0 715.266357 21.0 715.52124 20.0 728.219482 18.0 745.189453 22.0 746.106628 17.0 766.209106 18.0 766.28302 25.0 778.630005 27.0 789.101501 18.0 794.210693 20.0 797.584534 17.0 825.783569 22.0 863.197998 18.0 875.167969 18.0 918.314819 26.0 928.109619 17.0 943.278015 18.0 987.211304 18.0 1028.376709 20.0 1060.333374 17.0 1061.307861 23.0 1076.361084 22.0 1085.179443 25.0 1098.192383 18.0 1109.353638 34.0 1119.669922 24.0 1159.407227 18.0 1174.660278 18.0 1186.34021 18.0 1190.246704 39.0 END IONS BEGIN IONS SCANS=147 PEPMASS=299.07654 CHARGE=0 COLLISION_ENERGY=0.0 50.273094 38.0 83.051987 48.0 92.024094 58.0 93.033745 4577.0 93.505852 37.0 94.03791 261.0 112.005997 49.0 128.032791 42.0 137.024155 9132.006836 138.027679 760.0 139.029144 80.0 148.961685 44.0 150.029709 26.0 156.894745 20.0 179.981079 49.0 183.011658 72.0 188.056763 23.0 189.966461 24.0 201.667725 22.0 210.908493 29.0 229.159348 34.0 229.196716 22.0 229.327332 22.0 242.027542 30.0 322.35376 18.0 353.190308 18.0 359.082733 18.0 373.189148 22.0 374.935425 20.0 380.084076 30.0 382.131104 38.0 410.094177 28.0 415.766968 18.0 453.984528 18.0 457.246765 20.0 468.249451 20.0 471.068298 17.0 516.121521 29.0 521.445679 18.0 524.74585 20.0 546.905457 19.0 589.958557 18.0 599.170471 18.0 600.13623 20.0 607.131226 18.0 607.167725 20.0 629.141663 17.0 637.095703 18.0 655.40686 17.0 661.351196 17.0 688.49176 37.0 695.671875 43.0 721.056458 18.0 789.223938 20.0 821.124634 20.0 828.161377 28.0 833.528625 19.0 834.527161 22.0 842.117676 17.0 873.106323 18.0 883.368713 20.0 893.554993 31.0 894.030273 18.0 911.031128 18.0 927.997314 24.0 938.530762 20.0 944.205627 24.0 988.146973 18.0 1004.407593 34.0 1007.420044 18.0 1027.970703 18.0 1053.594238 18.0 1062.271606 20.0 1067.629395 19.0 1089.626831 18.0 1095.183472 20.0 1112.119385 23.0 1113.629517 18.0 1120.56897 20.0 1129.529907 41.0 1182.771729 18.0 1189.609741 18.0 END IONS BEGIN IONS SCANS=148 PEPMASS=188.05587 CHARGE=0 COLLISION_ENERGY=0.0 59.012741 242.0 74.02433 117.0 84.045441 142.0 85.028885 141.0 87.007462 168.0 98.023659 116.0 100.077011 1162.0 102.05558 3530.0 111.009308 334.0 128.034302 3216.0 144.065582 1188.0 146.046036 595.0 212.253464 18.0 213.681122 20.0 231.418289 18.0 235.840027 28.0 238.824356 27.0 255.031616 21.0 255.963181 24.0 279.942657 41.0 282.967438 27.0 297.151367 20.0 299.558441 23.0 304.147003 18.0 311.167999 20.0 312.168304 24.0 318.693329 26.0 322.011566 18.0 327.306763 18.0 361.775696 17.0 370.308289 19.0 381.991119 26.0 390.867157 20.0 399.012726 26.0 400.025696 23.0 421.710876 19.0 435.272217 18.0 466.130707 18.0 475.160278 22.0 481.084106 20.0 493.308502 24.0 535.263 21.0 552.613037 17.0 576.079773 19.0 606.567688 21.0 608.146484 18.0 608.829651 18.0 617.223206 18.0 623.036865 18.0 692.971863 30.0 702.139282 18.0 703.950928 24.0 714.52417 21.0 726.383423 18.0 775.228821 22.0 787.330078 20.0 790.232422 21.0 835.515869 21.0 860.479065 27.0 921.46991 17.0 929.052979 35.0 941.096375 27.0 945.628418 44.0 958.320007 21.0 1021.489868 21.0 1057.587036 18.0 1069.575439 18.0 1083.775146 17.0 1132.135498 20.000002 1143.449219 33.0 1159.79248 17.0 1164.168091 24.0 1169.979736 28.0 1178.998291 22.0 END IONS BEGIN IONS SCANS=149 PEPMASS=417.10312 CHARGE=-1 COLLISION_ENERGY=0.0 59.013161 723.754761 71.013054 627.0 85.029312 101.0 89.023911 1673.0 93.035133 168.0 99.046455 220.0 101.023323 1255.0 113.024086 739.0 119.034363 1229.255127 121.027374 667.0 137.05983 752.0 139.038483 522.0 161.047287 159.0 165.055283 1784.439697 166.055527 152.0 179.056122 416.0 183.065079 867.69812 193.050598 325.0 209.045242 323.0 211.059006 370.0 212.057739 50.844379 227.059219 229.0 237.03862 1672.0 238.042084 281.932495 255.050827 178.0 256.050476 62.0 285.70694 27.0 287.387939 27.0 289.98941 24.0 293.066254 47.0 306.420349 26.999998 328.668518 24.0 329.148315 33.0 334.328278 21.0 344.086395 42.0 345.986877 22.0 357.053955 28.0 362.868073 39.0 372.093414 78.0 389.105469 616.0 390.115265 213.0 477.399994 19.0 477.598083 24.0 486.940308 20.0 516.14093 18.0 532.078064 17.0 564.148743 20.0 572.426025 19.0 588.197083 24.0 593.151428 31.0 640.22583 38.0 690.223938 22.0 751.271179 20.0 805.469238 25.0 835.393616 21.0 843.327087 20.0 896.128662 18.0 1052.060791 21.0 1069.27832 20.0 1083.263428 18.0 1137.864258 22.0 1142.442505 30.0 1177.024902 18.0 1194.113159 24.0 1194.674683 18.0 1198.738037 20.0 END IONS BEGIN IONS SCANS=150 PEPMASS=157.01372 CHARGE=0 COLLISION_ENERGY=0.0 69.033302 254.0 71.01181 62.0 78.14196 28.0 84.119133 21.0 85.029984 41.0 98.294899 21.0 105.703697 30.0 113.019867 25.0 114.938797 24.0 116.929695 87.0 124.638107 26.0 193.042511 52.0 200.034439 28.0 203.535355 20.0 205.950836 39.0 212.696457 20.0 221.042725 21.0 229.242859 31.0 283.083832 18.0 287.97818 17.0 291.538391 35.0 292.229553 18.0 342.155273 17.0 355.565735 20.0 366.795044 22.0 374.039215 26.0 375.010773 19.0 375.278046 37.0 399.061676 19.0 411.083496 20.0 425.011993 18.0 461.573944 18.0 476.274414 20.0 538.148254 18.0 552.160278 18.0 570.963989 21.0 597.229797 18.0 638.830139 28.0 697.6698 18.0 712.04126 18.0 715.568359 18.0 730.498047 26.0 872.192688 18.0 889.410583 18.0 937.661926 30.0 982.25 18.0 1038.623047 21.0 1065.346069 40.0 1121.677124 18.0 1129.291138 21.0 1149.082031 18.0 1157.664185 32.0 END IONS BEGIN IONS SCANS=151 PEPMASS=175.02426 CHARGE=0 COLLISION_ENERGY=0.0 69.034195 1742.0 70.036812 54.0 71.012222 369.0 85.026093 67.0 87.044884 2362.045654 88.04792 115.0 112.043549 34.0 113.02317 746.0 114.027161 56.0 115.005096 96.0 115.038673 38.0 131.03447 531.0 236.086929 18.0 253.186844 20.0 267.070862 22.0 304.967255 17.0 325.869385 18.0 335.719452 19.0 351.656097 39.0 352.177826 20.0 355.796661 28.0 377.141998 45.0 381.56192 25.0 407.742828 30.0 471.810547 18.0 472.055176 20.0 506.139038 19.0 513.101379 18.0 516.872437 17.0 525.826721 17.0 965.034668 18.0 1041.648804 24.0 1144.310303 19.0 1180.075562 22.0 END IONS BEGIN IONS SCANS=152 PEPMASS=128.03483 CHARGE=0 COLLISION_ENERGY=0.0 53.68079 21.0 57.902489 33.0 69.658188 22.0 71.665314 22.0 72.800797 24.0 85.83754 22.0 103.065948 40.0 157.020111 20.0 160.85257 25.0 165.409363 18.0 220.071609 22.0 220.758713 18.0 225.828125 19.0 239.437653 21.0 245.021423 27.0 260.338379 22.0 262.012543 38.0 285.127319 31.0 293.775238 25.0 306.723602 17.0 313.262787 17.0 321.775177 18.0 325.184967 20.0 338.026276 18.0 348.028992 19.0 356.588837 18.0 366.392578 17.0 370.119232 23.0 437.827362 27.0 447.954559 26.0 453.118408 17.0 465.616699 20.0 475.456268 19.0 477.158051 18.0 498.174896 30.0 540.199585 21.0 615.788635 23.0 617.374939 19.0 638.256165 18.0 646.292908 21.0 654.923035 25.0 680.218018 20.0 690.303955 19.0 698.983276 18.0 711.079712 18.0 716.544067 18.0 732.089172 17.0 784.513977 22.0 814.724609 20.0 886.167114 20.0 891.988953 25.0 931.99585 25.0 984.910278 17.0 1000.14624 18.0 1018.096802 28.0 1034.619629 19.0 1075.318237 18.0 1087.480225 24.0 1094.222412 25.0 1143.229492 27.0 1181.725952 20.0 1184.636353 18.0 1191.129272 22.0 1194.49939 19.0 1194.874634 21.0 1198.391968 20.0 END IONS BEGIN IONS SCANS=153 PEPMASS=389.10793 CHARGE=0 COLLISION_ENERGY=0.0 59.0117 42.0 71.014626 95.0 81.034683 41.0 89.022743 99.0 94.041267 34.0 95.045837 22.0 101.028854 71.0 109.025391 81.0 113.024132 116.0 119.032639 145.0 137.058655 96.0 139.039886 100.0 152.065552 28.0 157.033875 44.0 158.738434 68.0 162.028183 40.0 165.055649 73.0 183.062805 84.0 200.950134 26.0 204.050751 20.0 209.04541 91.0 227.054626 96.0 232.051865 28.0 241.97673 21.0 255.056931 25.0 255.126282 20.0 257.208344 23.0 259.997162 20.0 284.990875 20.0 290.05545 26.0 301.993256 18.0 318.055359 36.0 325.18515 36.0 343.971619 18.0 344.872162 25.0 346.031525 20.0 363.110138 36.0 442.024719 18.0 482.241943 20.0 729.796448 18.0 END IONS BEGIN IONS SCANS=154 PEPMASS=181.07119 CHARGE=0 COLLISION_ENERGY=0.0 59.012405 329.0 71.013405 881.800049 73.029778 139.0 83.01265 159.0 85.029518 150.0 89.024734 830.884766 101.024895 852.0 102.030525 95.0 115.037956 53.0 119.034782 155.0 131.034393 106.0 138.05481 95.0 221.946228 23.0 224.059891 66.0 230.776245 18.0 232.936768 18.0 246.164642 48.0 250.492783 20.0 252.186081 18.0 254.223618 18.0 279.008972 18.0 279.094727 19.0 287.057281 20.0 300.940125 35.0 317.111938 18.0 321.99054 20.0 325.189087 20.0 332.216736 19.0 338.603851 19.0 387.989716 29.0 389.121918 40.0 390.640106 20.0 397.97287 18.0 399.889252 34.0 417.107056 38.0 418.107117 21.0 423.110809 24.0 425.114197 23.0 431.125305 65.0 438.129517 53.0 451.120331 17.0 457.313049 25.0 457.505737 17.0 462.803589 18.0 464.144806 18.0 515.377747 23.0 536.708862 20.0 572.359192 18.0 582.685242 17.0 594.248291 17.0 625.150146 21.0 627.1828 23.0 636.164795 18.0 648.064148 18.0 651.163269 18.0 672.958069 18.0 689.505005 20.0 700.541931 18.0 716.523621 18.0 760.487183 19.0 785.228943 21.0 788.23053 45.0 793.987976 42.0 833.521729 38.0 862.376648 47.0 887.933411 24.0 920.509888 18.0 925.431702 18.0 925.544373 34.0 928.356018 18.0 968.146423 26.0 969.612854 30.0 1020.058655 18.0 1038.98645 19.0 1044.423584 20.0 1046.915527 18.0 1054.37915 22.0 1061.316162 24.0 1064.709106 26.0 1071.826172 18.0 1092.728027 28.0 1096.077759 20.0 1139.285034 27.0 1146.274292 18.0 1148.820679 18.0 1181.61145 22.0 END IONS BEGIN IONS SCANS=155 PEPMASS=167.07077 CHARGE=0 COLLISION_ENERGY=0.0 63.690773 54.0 72.048279 30.0 78.959221 44.0 79.056931 38.0 79.954941 137.0 81.955513 52.0 107.048782 70.0 119.050758 306.0 123.045601 36.0 124.055458 43.0 137.05957 199.0 197.422211 28.0 213.722687 38.0 228.564194 20.0 257.774048 25.0 263.413361 28.0 281.823547 20.0 284.204773 27.0 293.390686 26.0 309.89035 18.0 319.200134 26.0 321.637939 20.0 328.087982 17.0 333.584778 20.0 343.666656 18.0 355.088074 20.0 371.197968 19.0 376.236847 22.0 396.146515 18.0 402.509705 25.0 446.547974 18.0 495.116882 20.0 500.311951 17.0 509.747772 20.0 557.529175 20.0 572.125061 19.0 590.277283 24.0 618.687256 20.0 670.062561 22.0 670.184326 26.0 734.302551 20.0 758.441467 26.0 803.07489 18.0 864.160583 23.0 892.408142 18.0 902.318115 18.0 923.925232 18.0 927.285217 35.0 936.3125 21.0 1028.341187 21.0 1068.396851 17.0 1077.239136 43.0 1105.03186 27.0 1118.22229 21.0 1125.730957 18.0 1136.213989 17.0 1193.265503 22.0 END IONS BEGIN IONS SCANS=156 PEPMASS=229.07116 CHARGE=0 COLLISION_ENERGY=0.0 69.033592 232.0 83.048439 158.0 87.045265 302.0 91.053833 220.0 93.069923 237.0 97.028481 339.0 109.064941 450.0 119.050743 1618.411743 121.065331 1132.0 131.049469 419.0 137.060135 4202.167969 149.0616 607.717529 155.070175 996.011292 167.070221 2046.275146 168.075928 165.0 185.081009 1382.0 186.085617 177.0 187.093094 263.563232 253.355347 21.0 257.507843 28.0 282.45874 26.0 290.940552 20.0 295.05304 47.0 295.960876 52.0 300.176239 18.0 309.026672 21.0 326.187683 22.0 335.088715 20.0 337.996582 20.0 349.060455 20.0 354.059753 20.0 354.087982 22.0 354.127228 18.0 388.294067 25.0 418.109772 18.0 425.176239 18.0 439.595001 22.0 441.704834 18.0 442.104492 18.0 466.091827 21.0 466.71701 20.0 471.108032 18.0 502.071686 24.0 525.900208 31.000002 570.260742 18.0 585.244324 18.0 636.613464 30.0 645.186768 17.0 649.513245 17.0 772.180847 18.0 783.100037 18.0 789.186523 17.0 803.123596 19.0 851.181946 18.0 879.137817 17.0 881.273315 18.0 918.221313 18.0 929.849792 19.0 940.286072 20.0 942.229187 22.0 949.285522 25.0 1029.223755 17.0 1065.339355 18.0 1128.283936 20.0 1146.255249 24.000002 1162.169189 22.0 1171.325317 20.0 1190.421753 21.0 END IONS BEGIN IONS SCANS=157 PEPMASS=224.05584 CHARGE=-1 COLLISION_ENERGY=0.0 56.013813 211.0 73.031136 59.0 74.024643 267.0 90.033478 61.0 93.033813 8610.21582 94.03759 613.0 100.003273 10380.290039 104.034775 976.0 132.045013 1229.0 135.04538 2684.477539 136.043884 761.51416 137.025818 750.785767 150.055206 2703.0 162.055511 11425.611328 163.06012 1385.558838 176.03476 3223.869629 177.039001 637.0 194.045776 3735.433594 252.317841 20.0 254.776672 25.0 255.241638 18.0 287.971924 20.0 288.640869 20.0 294.341461 20.0 300.652161 26.0 304.088287 18.0 311.161407 41.0 332.158386 19.0 339.204224 22.0 344.018005 19.0 358.873138 19.0 389.105469 21.0 389.944855 22.0 390.17038 23.0 411.994843 18.0 415.753235 18.0 419.191589 18.0 433.767548 20.0 442.075562 22.0 442.288849 35.0 462.15451 18.0 472.120148 18.0 493.225464 22.0 505.201965 22.0 509.055573 25.0 510.339966 18.0 541.024292 20.0 543.335022 20.0 547.014221 24.0 576.164917 18.0 625.301636 18.0 647.163452 20.0 688.49762 23.0 697.026917 18.0 697.101074 18.0 714.141296 25.0 716.524414 20.0 720.88739 20.0 771.178833 18.0 773.171936 26.0 784.988953 20.0 804.233521 18.0 805.490601 58.0 886.349487 23.0 923.355835 22.0 937.094116 25.0 955.591553 17.0 990.334229 17.0 999.288696 18.0 1001.530884 24.0 1001.756592 28.999998 1011.264282 22.0 1094.218262 22.0 1095.157227 20.0 1136.075073 20.0 1148.286621 31.0 1153.52832 18.0 1179.323364 18.0 1194.748535 18.0 END IONS BEGIN IONS SCANS=158 PEPMASS=194.04518 CHARGE=0 COLLISION_ENERGY=0.0 74.025398 45.0 74.903648 37.0 78.606102 26.0 79.956383 59.0 91.01741 27.0 93.034973 223.0 100.003792 142.0 101.552353 38.0 105.781281 31.0 108.04409 36.0 128.033203 40.0 142.110489 28.0 159.889969 72.0 216.446869 23.0 224.057129 115.0 224.706802 18.0 225.065262 64.0 248.22023 20.0 257.756195 34.0 265.141571 29.0 278.612732 21.0 282.092621 20.0 283.299164 19.0 297.145386 24.0 301.197388 20.0 325.176178 17.0 325.976654 18.0 327.416901 20.0 343.225128 18.0 361.2966 23.0 363.226868 50.0 365.963989 18.0 381.291016 21.0 387.0672 31.0 389.114807 35.0 417.107574 22.0 467.530304 19.0 472.265594 20.0 499.043121 18.0 506.215118 20.0 524.181519 18.0 565.577393 18.0 574.138489 18.0 625.289917 17.0 632.502319 17.0 707.25354 17.0 713.619019 22.0 729.129761 21.0 731.263184 23.0 737.906555 18.0 744.146423 18.0 805.778503 22.0 828.365173 17.0 842.337463 27.0 855.457825 21.0 890.154907 18.0 909.36438 18.0 925.090088 18.0 939.504272 28.0 985.182068 18.0 1018.549744 21.0 1023.194031 19.0 1053.162598 19.0 1070.324341 20.0 1089.823364 26.0 1101.00354 25.0 1103.263428 27.0 1107.206543 27.0 1124.141846 19.0 1124.215088 18.0 1126.691528 18.0 1157.709717 19.0 1173.022827 18.0 1176.749146 22.0 1183.5271 22.0 1184.392334 21.000002 1193.862793 23.0 END IONS BEGIN IONS SCANS=159 PEPMASS=323.98076 CHARGE=-1 COLLISION_ENERGY=0.0 62.90007 20.0 84.009087 106.0 89.022575 37.0 93.034088 193.0 96.496758 23.0 99.926041 187.0 100.933899 434.79129 116.928436 4427.0 117.927887 434.0 118.92775 219.0 142.942917 315.688263 148.041138 319.0 151.041336 85.0 160.038254 125.0 178.054214 343.580475 183.012543 780.0 184.015579 123.0 185.963394 98.0 204.954239 331.561401 215.975418 162.0 231.972626 177.0 233.981583 161.0 243.969498 1376.0 244.97345 531.0 261.979675 251.559998 262.983612 172.350006 263.98999 59.0 277.9823 46.0 279.988373 40.0 287.965485 39.0 369.673035 24.0 476.046631 21.0 870.004944 18.0 END IONS BEGIN IONS SCANS=160 PEPMASS=417.10312 CHARGE=-1 COLLISION_ENERGY=0.0 59.014076 114.0 71.015091 168.0 85.031204 106.0 89.023361 541.0 97.029015 120.0 99.043915 442.0 101.023796 763.0 113.023788 241.0 119.03463 699.0 121.027817 266.0 137.059387 812.0 139.040665 674.0 153.055328 148.0 165.054504 1449.0 166.056366 158.0 179.053543 243.0 183.066223 1096.0 184.06691 188.0 207.057251 40.0 209.046539 972.0 210.049118 218.0 210.122086 72.0 227.05397 627.0 228.055161 80.0 254.115463 35.0 277.014893 25.0 288.007202 51.0 289.103058 23.0 290.098755 24.0 299.129089 24.0 311.075195 18.0 323.958405 24.0 324.955536 20.0 326.127808 19.999998 330.075134 21.0 336.438995 22.0 351.123932 24.0 382.261322 39.0 389.10968 863.0 390.111847 210.0 391.111267 52.0 392.126587 27.0 458.0224 22.0 463.196991 18.0 471.093292 18.0 482.515167 19.0 532.15033 35.0 534.009583 18.0 546.551636 40.0 555.338562 20.0 573.13385 20.0 602.315063 21.0 613.377808 18.0 615.205322 20.0 675.270142 18.0 683.278442 18.0 690.301331 20.0 696.198792 21.0 735.5 18.0 739.186401 18.0 835.217468 25.0 837.252869 17.0 847.232361 18.0 919.98407 18.0 1157.213135 24.0 1193.635376 20.0 1194.17334 27.0 1195.251831 18.0 END IONS BEGIN IONS SCANS=161 PEPMASS=243.05041 CHARGE=0 COLLISION_ENERGY=0.0 69.034027 325.0 81.033051 223.570801 91.054504 713.0 93.033646 334.0 95.048546 177.0 99.924629 287.0 107.049423 600.0 109.064896 944.0 111.044197 228.0 119.049721 1129.0 125.060226 1103.0 137.060272 1734.0 155.032898 281.718231 155.06897 209.923813 155.950958 738.0 156.951431 166.0 181.049622 209.0 199.060165 4481.133789 200.063812 487.138062 201.065765 86.0 289.623688 22.0 297.421234 28.0 298.713501 27.0 301.966949 20.0 319.04718 18.0 325.208466 18.0 328.641754 19.0 338.136902 17.0 367.986938 18.0 382.439911 24.0 386.047485 21.0 421.327759 25.0 424.176849 18.0 428.953705 30.0 458.155243 24.0 470.149689 27.0 477.541718 20.0 478.197723 20.0 491.742004 20.0 496.048401 30.0 510.274872 17.0 514.391785 29.0 517.017639 18.0 525.153687 18.0 537.012329 22.0 549.614258 17.0 551.326843 18.0 551.490051 17.0 574.044067 60.0 578.898071 17.0 612.098633 17.0 640.116638 23.0 695.134888 18.0 715.629822 20.0 722.162842 19.0 744.269104 34.0 748.116028 18.0 816.966187 18.0 884.430176 18.0 945.587341 18.0 966.285522 18.0 989.099426 31.0 1026.643311 24.0 1054.891357 19.0 1062.310913 22.0 1134.692017 20.0 1142.262329 39.0 1183.980835 28.0 1185.347046 18.0 END IONS BEGIN IONS SCANS=162 PEPMASS=265.08267 CHARGE=-1 COLLISION_ENERGY=0.0 82.031166 38.0 84.04361 48.0 93.033821 3848.0 94.038139 252.0 96.959618 451.0 99.552841 78.0 101.070778 190.0 118.030731 237.0 127.05085 1361.821045 128.035675 1273.819336 136.03978 574.0 145.061905 3139.0 153.031693 102.0 160.075058 63.0 162.05545 59.0 171.040726 437.0 174.949249 107.0 176.021805 53.0 203.082611 349.900208 204.083832 69.0 221.092392 366.0 222.096008 38.0 306.390686 23.0 327.328552 23.0 339.609314 17.0 340.414215 17.0 346.584747 25.0 358.877441 18.0 358.962677 18.0 365.012451 17.0 366.007538 19.0 369.802307 19.0 411.661926 29.0 412.069092 18.0 413.719727 18.0 443.085358 18.0 474.018036 18.0 488.002258 18.0 520.241943 17.0 532.987732 18.0 595.821655 25.0 596.836853 18.0 622.213684 18.0 628.633728 20.0 793.532715 18.0 802.286255 19.0 863.90332 40.0 926.625122 19.0 1047.55249 18.0 1081.188965 25.0 1088.86853 18.0 1195.174561 18.0 END IONS BEGIN IONS SCANS=163 PEPMASS=199.06057 CHARGE=0 COLLISION_ENERGY=0.0 69.035248 81.0 81.035179 71.0 83.05085 61.0 93.033531 64.0 95.050034 44.0 97.063652 44.0 107.048309 181.0 109.066093 87.0 111.046455 100.0 119.049438 350.0 125.056732 105.0 137.061783 256.0 155.953873 118.0 157.973404 54.0 169.020996 59.308117 231.327057 20.0 240.875381 41.0 243.389084 20.0 250.124908 33.0 253.237808 26.0 261.619659 23.0 275.055542 23.0 293.571381 20.0 297.21225 20.0 306.649658 19.0 309.716675 18.0 310.912445 18.0 330.074188 24.0 334.081635 18.0 347.339386 22.0 356.127075 22.0 373.594177 18.0 378.110992 24.0 397.821655 21.0 429.95697 17.0 430.029999 19.0 466.386047 23.0 468.869568 25.0 471.125214 35.0 487.011322 22.0 516.144897 17.0 528.189209 32.0 535.099243 18.0 543.138489 37.0 553.279907 22.0 556.048706 26.0 568.211365 20.0 597.294434 23.0 598.302612 30.0 600.187805 18.0 613.392456 18.0 624.200012 20.0 651.019897 28.0 659.214966 18.0 659.69165 28.0 687.245056 21.0 708.212158 26.0 717.260437 33.0 742.157471 22.0 758.50531 25.0 786.523804 20.0 788.154541 18.0 798.523193 18.0 803.283813 21.0 837.253235 18.0 879.13501 21.0 893.305481 24.0 911.071411 17.0 913.140076 22.0 924.230591 17.0 972.155334 17.0 976.124512 18.0 992.831909 28.0 1000.588318 28.0 1021.765198 18.0 1066.372192 25.0 1070.334961 22.0 1098.127563 20.0 1118.180054 19.0 1177.810791 20.0 1199.11438 25.0 END IONS BEGIN IONS SCANS=164 PEPMASS=356.13475 CHARGE=-1 COLLISION_ENERGY=0.0 58.029041 139.0 59.009556 31.0 76.516998 40.0 87.003426 33.0 95.015442 26.0 95.046524 27.0 122.037148 562.930664 123.045631 6426.418945 124.046898 432.0 135.029938 115.568161 135.047226 515.431824 136.050018 113.0 152.072449 118.0 194.082474 61033.902344 194.146561 820.514587 195.085419 8356.876953 196.087418 922.0 197.087143 71.0 200.128937 22.0 201.192993 20.0 229.956787 28.0 230.598907 26.0 245.415146 20.0 245.87204 22.0 273.550568 18.0 275.431854 22.0 278.225555 23.0 279.163452 20.0 280.775146 23.0 287.066376 18.0 301.187439 19.0 302.041199 25.0 305.953979 29.0 313.079407 28.0 317.053802 20.0 380.72995 24.0 383.550995 24.0 419.114563 37.0 419.138275 21.0 420.896271 18.0 436.514526 18.0 456.070282 22.0 465.412476 20.0 489.965668 18.0 497.681427 28.0 525.66626 18.0 533.687561 18.0 575.666199 35.0 583.417542 21.0 588.119995 17.0 640.593994 27.0 653.647644 20.0 670.908264 18.0 696.351868 17.0 720.555481 17.0 727.533264 18.0 766.19281 18.0 774.103394 17.0 790.073669 17.0 871.665283 20.0 898.60321 34.0 954.726746 18.0 961.418884 30.0 1004.524048 18.0 1079.947754 20.0 1082.27832 22.0 1137.221069 17.0 1172.764771 25.0 1196.224487 40.0 END IONS BEGIN IONS SCANS=165 PEPMASS=419.12985 CHARGE=-1 COLLISION_ENERGY=0.0 55.54924 33.0 61.98764 6176.605469 62.98394 36.0 63.990223 38.0 68.400017 34.0 78.960121 24.0 123.045517 219.45755 123.62822 32.0 131.752808 25.0 135.03186 25.0 136.458389 29.0 137.633316 26.0 161.987991 33.0 181.051086 28.0 186.294983 27.0 194.08194 4415.741699 195.084381 433.0 196.082947 125.0 210.07283 18.0 223.109253 18.0 226.83313 18.0 236.088669 19.0 237.869705 18.0 241.037506 34.0 251.843323 23.0 255.22522 20.0 256.538391 21.0 266.816589 25.0 278.272308 23.0 281.251282 20.0 307.425415 18.0 322.723907 25.0 329.149963 28.0 331.522827 19.0 341.295929 20.0 352.062561 25.0 356.134155 1023.0 356.203278 23.0 357.139435 381.0 364.11319 23.0 384.129761 38.0 441.24231 22.0 450.015594 18.0 453.206268 18.0 461.474762 19.0 477.075104 18.0 494.1185 18.0 496.463928 23.0 504.725372 18.0 520.25238 21.0 524.196472 18.0 572.022949 22.0 579.207275 25.0 584.965576 25.0 635.933533 17.0 652.343384 34.0 714.27478 19.0 715.510803 18.0 721.253967 21.0 743.56311 18.0 758.08374 21.0 766.167297 35.0 767.186035 19.0 784.106506 17.0 789.172302 24.0 804.298157 18.0 808.950867 18.0 816.29126 18.0 820.126465 22.0 827.189026 19.0 843.209351 26.0 852.442932 18.0 853.300293 18.0 866.159241 18.0 871.075012 19.0 881.319336 20.0 886.209656 24.0 920.093567 30.0 936.223999 18.0 956.446289 18.0 966.052917 22.0 990.127197 18.0 1002.227722 18.0 1005.332336 18.0 1006.657715 19.0 1045.984497 20.0 1049.163696 18.0 1051.144409 18.0 1066.562012 25.0 1106.39624 18.0 1109.135132 22.0 1119.692871 19.0 1121.023682 36.0 1135.310913 27.0 1140.158936 23.0 1152.476807 20.000002 1170.548828 30.0 1179.888184 17.0 1184.989868 18.0 1188.467407 17.0 1189.507935 22.0 END IONS BEGIN IONS SCANS=166 PEPMASS=194.08205 CHARGE=0 COLLISION_ENERGY=0.0 70.167038 33.0 74.022644 26.0 83.011963 26.0 87.00502 29.0 92.527008 30.0 94.979416 28.0 102.847176 28.0 116.931419 44.0 122.036041 41.0 123.046021 439.0 141.014175 55.0 148.985764 29.0 159.889511 90.997963 159.903168 69.002037 220.284409 20.0 222.376907 33.0 223.090469 27.0 230.146301 31.0 233.027054 20.0 261.048767 18.0 261.340271 18.0 263.11557 26.0 297.467499 22.0 299.876862 21.0 306.200745 42.0 321.540466 23.0 324.659546 18.0 326.135651 26.0 328.891357 20.0 336.516693 49.0 355.534027 18.0 356.721313 20.0 357.127106 17.0 365.639618 19.0 384.69812 19.0 385.133362 22.0 409.378784 21.0 419.138 35.0 420.147797 17.0 434.391602 20.0 436.067474 25.999998 475.603455 21.0 491.802734 18.0 492.191345 17.0 535.15155 39.0 539.882141 17.0 557.129456 21.0 604.120239 22.0 612.179199 25.0 635.073975 21.0 636.087158 19.0 654.799438 23.0 767.149475 18.0 803.241516 20.0 807.74469 21.0 813.733826 20.0 892.285645 18.0 908.56134 20.0 1010.181152 26.0 1041.625244 47.0 1044.222534 18.0 1067.972168 18.0 1071.298828 20.0 1073.274902 17.0 1099.198364 20.0 1125.174072 18.0 1143.076538 18.0 1182.755859 23.0 1192.873047 67.0 END IONS BEGIN IONS SCANS=167 PEPMASS=535.1535 CHARGE=-1 COLLISION_ENERGY=0.0 69.529366 48.0 71.583153 36.0 71.863625 37.0 80.023804 40.0 85.48465 64.0 92.02433 110.0 108.020134 225.0 135.030609 12198.292969 136.032974 836.0 137.036652 79.0 141.926788 45.0 147.031952 41.0 152.997986 62.0 153.997757 36.0 155.205887 24.0 157.960037 54.0 172.381134 24.0 177.042374 35.0 220.390991 27.0 223.426788 31.0 238.311737 24.0 238.37117 21.0 240.195847 33.0 244.075394 22.0 266.147797 36.0 267.035858 60.0 267.072968 54940.0 267.148285 662.50647 268.075378 9109.817383 269.077881 846.0 307.479797 22.0 323.337494 27.0 326.373444 18.0 330.069885 27.0 346.99881 18.0 348.550049 20.0 364.089905 20.0 377.921478 20.0 379.057556 22.0 393.540741 23.0 411.913391 20.0 434.236877 18.0 435.251556 60.0 451.18396 18.0 471.183655 19.0 473.195343 19.0 474.239624 18.0 474.926514 19.0 483.714691 20.0 508.41748 23.0 598.158997 36.0 616.075806 18.0 628.766663 18.0 635.036133 39.0 635.098755 17.0 636.289673 37.0 637.623962 18.0 654.710693 18.0 656.53064 22.0 716.949585 18.0 805.228027 20.0 826.23645 19.0 839.219421 25.0 859.170532 21.0 862.18811 18.0 959.270142 21.0 985.257324 18.0 1059.875488 18.0 1071.315308 42.0 1095.369263 17.0 1122.589111 18.0 1124.202515 18.0 END IONS BEGIN IONS SCANS=168 PEPMASS=267.07287 CHARGE=-1 COLLISION_ENERGY=0.0 65.999062 87.0 79.029007 36.0 80.025269 45.0 92.024666 1676.0 93.026711 151.0 96.957123 56.0 108.020325 2198.919922 135.031128 64633.648438 135.083893 972.612915 136.033829 5356.229492 137.036682 291.151733 149.045914 418.578857 150.053986 63.0 160.781464 31.0 164.000946 26.0 177.040924 311.0 177.904709 28.0 192.460983 26.0 220.85675 41.0 222.858398 56.0 224.342178 39.0 224.866028 41.0 231.052795 42.0 304.973785 48.0 309.836487 22.0 316.359711 33.0 320.02771 19.0 331.585938 21.0 347.384308 20.0 359.707336 24.0 367.052917 26.0 410.13028 20.0 425.102356 18.0 437.327393 17.0 441.548615 23.0 459.410217 22.0 467.002289 20.0 487.10907 18.0 498.806702 18.0 504.599823 22.0 535.160278 40.0 539.484741 18.0 543.150452 18.0 550.257629 20.0 558.129639 22.0 566.815125 20.0 572.123535 18.0 601.955322 26.0 605.030823 29.0 635.243835 18.0 637.46936 17.0 790.362 22.0 803.220032 42.0 828.167358 20.0 848.344971 38.0 867.210754 19.0 941.405762 18.0 1073.862305 26.0 1107.268799 25.0 1110.805664 19.0 1177.256226 18.0 END IONS BEGIN IONS SCANS=169 PEPMASS=460.09419 CHARGE=0 COLLISION_ENERGY=0.0 52.512394 29.0 59.757988 23.0 61.987827 1100.0 62.653812 26.0 67.933754 25.0 89.020943 28.0 106.599045 24.0 113.826721 22.0 126.450714 39.0 136.986221 37.0 146.969559 58.0 148.48082 23.0 156.801178 19.0 159.438782 30.0 163.500687 23.0 164.104813 25.0 166.051056 20.0 191.028854 20.0 203.682541 21.0 207.11203 19.0 219.919861 27.0 222.868408 27.0 234.957626 20.0 243.931717 58.0 256.311798 18.0 265.155762 20.0 269.857574 22.0 272.865692 24.0 274.304718 19.0 298.804443 20.0 319.924377 20.0 323.911163 20.0 326.186829 49.0 331.891876 20.0 339.188782 23.0 345.200867 21.0 358.115387 18.0 367.000305 29.0 368.972351 20.0 382.941589 24.0 396.96991 18.0 398.682037 20.0 405.069 25.0 414.043274 20.0 415.038147 28.0 430.483643 21.0 434.135437 20.0 526.500916 18.0 532.084839 25.0 554.668823 18.0 564.143982 20.0 576.156433 20.0 595.299133 35.0 597.297485 127.0 598.307373 19.0 625.782043 18.0 628.018677 26.0 643.015564 18.0 662.069031 18.0 707.540833 20.0 715.350647 20.0 735.528748 20.0 742.222473 23.0 747.9823 23.0 751.096985 18.0 755.198853 17.0 757.255127 26.0 799.53418 20.0 807.273132 24.0 837.445862 30.0 842.170776 20.0 871.859314 18.0 900.096863 38.0 954.382446 32.0 996.169006 17.0 996.223511 17.0 1009.609497 35.0 1062.531616 18.0 1072.088257 18.0 1083.68689 18.0 1100.668213 28.0 1131.653809 18.0 1136.355103 20.0 1139.400146 18.0 1146.49939 17.0 1154.645996 23.0 1163.483276 20.0 END IONS BEGIN IONS SCANS=170 PEPMASS=597.30363 CHARGE=-1 COLLISION_ENERGY=0.0 68.015732 30.0 75.290565 30.0 78.957619 157.0 96.968956 43.0 97.057922 22.0 99.044327 22.0 112.983727 18.0 113.872368 20.0 119.321846 65.0 122.114471 19.0 136.99617 20.0 144.257065 36.0 152.99559 4667.740234 154.00087 374.0 154.781052 23.0 154.999329 64.0 171.002869 250.0 175.446564 28.0 203.908371 31.0 222.999878 547.0 224.002594 95.0 241.011246 1830.0 242.015305 122.0 243.014084 37.0 259.02243 192.0 279.232178 273.0 280.236755 456.058533 281.248108 4556.0 282.25296 822.0 283.257507 92.0 303.03009 21.0 315.047699 1474.0 315.230743 19.0 316.050568 230.0 317.044464 46.0 333.059692 81.0 352.719177 18.0 353.675507 17.0 371.675781 21.0 372.295319 18.0 390.02475 17.0 400.862854 19.0 417.239288 94.0 418.233429 58.0 430.727356 24.0 435.272156 18.0 446.579834 23.0 469.847229 17.0 485.016449 21.0 489.044556 34.0 506.266693 18.0 506.878418 18.0 513.161499 18.0 619.846436 27.0 639.815552 20.0 697.220215 22.0 726.279785 18.0 761.644592 40.0 792.445007 20.0 865.39386 18.0 902.800964 18.0 905.474365 27.0 948.549316 26.000002 984.210876 18.0 988.256287 20.0 1003.318298 18.0 1016.489014 20.0 1036.219238 23.0 1044.415039 22.0 1071.672119 21.0 1147.102417 18.0 1160.404663 19.0 1171.201294 21.0 1178.331665 21.0 1185.260742 18.0 1191.032715 20.0 END IONS BEGIN IONS SCANS=171 PEPMASS=595.28803 CHARGE=-1 COLLISION_ENERGY=0.0 52.815681 28.0 78.95813 349.0 86.913544 29.0 92.986618 26.0 94.102463 26.0 96.967438 56.0 103.525406 23.0 117.932838 27.0 118.0812 26.0 128.262177 19.0 139.492111 18.0 146.965317 38.0 152.995819 6666.0 153.021027 46.0 153.999741 156.0 154.999039 56.0 171.005539 247.0 176.937744 28.0 204.994553 26.0 211.810852 26.0 223.000793 643.679504 224.00885 104.0 241.012497 2564.033447 242.013947 320.0 259.024139 241.0 279.232788 3614.0 280.237732 806.0 281.248749 3384.0 282.253052 672.0 283.262787 45.0 315.048218 3322.0 315.100616 22.0 316.050903 425.999969 317.051178 36.0 330.728546 24.0 333.055634 164.0 372.062439 17.0 379.115387 18.0 398.273987 18.0 411.164948 18.0 417.244385 73.393188 438.349121 23.0 451.078278 18.0 472.851593 19.0 473.004578 25.0 480.118164 54.0 675.788757 19.0 791.734497 19.0 801.207275 21.0 816.288818 19.0 863.509949 18.0 890.299377 18.0 901.57959 25.0 935.270447 22.0 961.36969 25.0 1104.510376 18.0 1177.715576 19.0 1180.630371 19.0 1183.583008 26.0 1193.579102 24.0 END IONS BEGIN IONS SCANS=172 PEPMASS=569.27257 CHARGE=0 COLLISION_ENERGY=0.0 53.916103 29.0 67.632973 21.0 74.025192 34.0 78.954758 126.0 91.655251 22.0 98.204071 22.0 108.325264 18.0 116.928711 21.0 125.873161 21.0 134.001144 22.0 134.728821 24.0 146.962357 21.0 152.995712 1572.869141 168.138916 28.0 171.009338 38.0 172.924088 27.0 173.008591 23.0 187.275955 23.0 204.056885 20.0 213.15863 24.0 222.999817 196.0 237.109848 22.0 241.012848 783.0 242.017029 36.0 252.464203 22.0 253.216232 1706.299683 254.221329 262.0 255.224518 146.0 259.025208 60.0 283.067993 45.0 311.175385 73.0 314.220459 18.0 315.048553 741.0 316.039673 18.0 329.823914 18.0 333.059601 62.0 354.638947 26.0 355.08847 25.0 367.175446 40.0 373.842224 27.0 381.366089 37.0 392.08548 27.0 407.22168 19.0 420.28064 20.0 423.078064 20.0 457.800232 22.0 461.100891 36.0 462.218994 29.0 462.758453 18.0 480.025513 23.0 489.11618 21.0 507.171204 20.0 509.853363 18.0 521.997803 18.0 522.244263 25.0 597.297485 47.0 624.310608 18.0 702.17627 18.0 709.271423 22.0 724.295471 18.0 788.17865 18.0 816.450928 20.0 884.549011 25.0 986.330322 18.0 1007.353088 20.0 1082.167969 18.0 1148.275146 21.0 1193.596558 18.0 END IONS BEGIN IONS SCANS=173 PEPMASS=443.10393 CHARGE=0 COLLISION_ENERGY=0.0 59.013889 203.0 71.013313 331.0 73.029404 58.0 85.03157 76.0 87.008415 201.0 89.024132 1107.0 101.024178 770.72052 113.023788 285.115479 119.035172 823.653992 125.024429 72.0 143.035507 327.0 149.047943 126.0 161.046539 388.0 163.259537 36.0 179.054367 1724.253906 180.056717 94.0 182.730865 28.0 198.075577 25.0 209.073303 23.0 215.965637 27.0 221.072418 23.0 229.034241 26.0 234.905396 26.0 237.947586 22.0 260.120361 36.0 265.121307 48.995213 265.145569 30.0 278.18692 24.0 278.803802 26.0 281.253021 47.0 305.086334 139.0 323.097076 1785.970825 324.097229 226.0 341.107635 6723.867188 342.11145 874.0 343.110443 240.0 351.083099 37.0 355.007111 21.0 369.10495 445.0 370.101349 21.0 371.986237 33.0 397.09964 74.0 411.375275 23.0 467.137177 20.0 476.060059 20.0 476.663605 29.0 482.165924 28.0 483.078217 22.0 516.022583 25.999998 519.102478 17.0 543.032776 29.0 543.402649 17.0 565.155457 20.0 569.284973 43.0 570.276306 27.0 597.309875 94.0 598.309692 38.0 623.314636 18.0 624.315735 18.0 625.272034 18.0 643.209595 39.0 661.177185 25.0 667.879578 20.0 669.204712 17.0 669.654236 20.0 710.253662 33.0 715.13623 19.0 716.36731 20.0 718.804688 23.0 737.326599 24.0 746.598328 18.0 759.830261 20.0 795.34137 21.0 814.359253 20.0 870.094055 20.0 906.100281 18.0 962.244324 26.0 993.384644 22.0 1031.303833 22.0 1035.557739 21.0 1047.114258 21.0 1080.119873 18.0 1092.908081 18.0 1108.398926 21.0 1114.561523 19.0 1119.400879 18.0 1130.398193 17.0 1139.309326 18.0 1197.373901 23.0 END IONS BEGIN IONS SCANS=174 PEPMASS=460.09415 CHARGE=-1 COLLISION_ENERGY=0.0 51.31918 20.0 61.091946 20.0 61.987625 3855.462402 62.604015 20.0 80.924187 24.0 82.980843 20.0 119.681145 28.0 121.57975 22.0 129.9776 35.0 130.038132 25.0 136.971451 22.0 137.025772 29.0 150.900482 18.0 151.027008 18.0 152.894394 22.0 163.369308 20.0 164.525558 24.0 180.154755 21.0 203.069366 21.0 203.864868 20.0 204.219742 21.0 209.921402 20.0 225.927536 33.0 234.959183 26.0 265.148346 20.0 268.932739 18.0 268.978638 19.0 290.030731 18.0 293.638184 18.0 305.660583 20.0 322.838013 19.0 327.10141 25.0 328.927124 20.0 337.231445 23.0 348.096771 18.0 356.767365 23.0 370.905762 18.0 379.073303 37.0 398.982178 21.0 404.75293 26.0 414.084534 28.0 415.038055 17.0 418.278748 17.0 421.134766 19.0 481.062347 43.0 515.04303 47.0 541.140625 18.0 578.241638 18.0 611.107727 18.0 620.524719 17.0 681.173096 18.0 776.79657 20.0 871.806213 28.0 967.385132 18.0 1018.132568 28.0 1030.937988 31.0 1066.275146 18.0 1088.951294 28.0 1170.634644 18.0 END IONS BEGIN IONS SCANS=175 PEPMASS=609.1454 CHARGE=0 COLLISION_ENERGY=0.0 51.932129 38.0 59.452644 20.0 61.078682 22.0 61.688408 24.0 90.720909 29.0 91.783257 29.0 101.391029 21.0 106.835312 20.0 126.256386 44.0 128.673126 41.0 128.818741 20.0 132.583984 25.0 151.002258 65.0 153.975662 26.0 158.936081 26.0 169.020737 35.0 169.048996 26.0 179.000259 53.0 205.043777 20.0 211.029053 20.0 211.447083 18.0 215.057068 18.0 231.065125 24.0 234.198578 19.0 255.028519 41.0 257.046204 29.0 263.022858 22.0 271.028442 87.0 272.037292 51.0 296.021149 23.0 300.026489 2080.955322 300.082031 31.699726 301.033722 1485.0 302.036682 209.0 303.032013 39.376026 317.238586 25.0 351.609711 20.0 366.210999 23.0 376.85553 18.0 382.413422 17.0 388.998932 20.0 390.579773 21.0 403.743652 18.0 405.973846 33.0 425.12735 18.0 432.293365 22.0 439.080566 18.0 447.094971 22.0 450.079742 19.0 452.936676 18.0 453.153961 18.0 465.282806 18.0 491.120544 19.0 495.172974 20.0 503.096344 18.0 504.983276 18.0 518.103821 20.0 524.212952 22.0 541.062256 37.0 545.265381 22.0 565.113037 18.0 568.743835 22.0 574.22998 18.0 575.138733 19.0 577.144043 18.0 698.230652 18.0 813.143555 17.0 828.018494 17.0 944.61615 17.0 973.334412 19.0 987.54303 33.0 993.925659 65.0 1086.206787 17.0 1093.485596 32.0 1136.392456 18.0 1142.257812 22.0 1179.386475 18.0 1192.380493 18.0 1196.402588 24.0 END IONS BEGIN IONS SCANS=176 PEPMASS=380.1556 CHARGE=-1 COLLISION_ENERGY=0.0 59.012253 115.0 71.013016 470.0 72.017586 86.0 85.026161 62.0 88.040382 101.0 89.023216 133.0 101.022774 325.862 113.025322 149.0 116.036949 66.0 119.033051 149.0 146.081375 2635.0 147.084351 250.0 151.023209 45.0 157.742401 33.0 161.041855 73.0 175.0242 41.0 182.913742 33.0 183.030533 24.0 200.095673 84.0 203.082245 53.0 218.104721 37.0 218.518829 28.0 229.049576 35.0 232.086639 28.0 260.111664 38.0 263.11264 124.999992 270.305725 25.0 276.975983 24.0 290.122559 28.0 296.701813 49.0 305.053314 33.0 308.133179 596.0 309.146301 84.0 318.076599 22.0 324.919312 23.0 347.874512 24.0 401.167328 20.0 409.61087 18.0 413.273346 25.0 419.528656 22.0 420.940338 17.0 436.311432 17.0 460.091644 17.0 513.178772 18.0 547.552795 27.0 569.285461 31.000002 597.308228 19.0 609.133606 19.0 709.604126 17.0 784.304382 18.0 837.338318 18.0 844.184937 17.0 933.030701 22.0 961.48468 27.0 1001.324097 20.0 1084.813965 24.0 1125.89209 18.0 1142.429688 22.0 1160.167358 22.0 1183.271973 18.0 1194.588379 18.0 END IONS BEGIN IONS SCANS=177 PEPMASS=460.09422 CHARGE=0 COLLISION_ENERGY=0.0 55.551754 21.0 58.403683 20.0 61.987495 938.0 69.000183 45.0 86.885818 21.0 94.983162 26.0 108.77066 20.0 116.549721 20.0 123.590843 20.0 140.013351 22.0 142.078354 23.0 146.965775 75.0 159.078094 28.0 161.899139 25.0 167.035828 94.0 174.034576 24.0 180.665115 23.0 184.105179 24.0 200.947891 27.0 207.221405 22.0 221.96991 23.0 229.962753 22.0 240.971039 23.0 247.819626 20.0 259.98172 29.0 265.917969 20.0 267.154968 22.0 270.799957 20.0 282.64386 20.0 297.154114 22.0 302.042389 19.0 302.373932 19.0 311.165497 19.0 318.896027 20.0 322.27121 18.0 325.194611 21.0 354.045349 25.0 369.54599 33.0 374.925598 25.0 375.963959 25.0 383.608002 40.0 387.864746 24.0 405.309387 18.0 405.9758 18.0 410.708984 23.0 414.891083 20.0 438.464386 22.0 509.112762 22.0 533.3927 18.0 588.316589 18.0 649.253967 47.0 651.835693 22.0 730.476013 18.0 762.7901 23.0 788.23761 23.0 851.427979 18.0 862.095825 21.0 881.042664 26.0 891.157104 26.0 956.054504 26.0 1035.767822 19.0 1052.928223 18.0 1073.751587 39.0 1089.277588 18.0 1110.402588 39.0 1161.264893 17.0 1163.994873 32.0 END IONS BEGIN IONS SCANS=178 PEPMASS=174.04027 CHARGE=-1 COLLISION_ENERGY=0.0 58.028244 492.0 59.014641 214.88353 71.012436 404.0 88.039856 8248.0 89.043221 383.360382 96.993645 371.0 112.039391 317.0 114.018585 989.0 115.003281 1403.023193 116.005486 84.0 130.050095 1340.0 131.053268 159.0 215.052307 22.0 216.342331 27.0 234.389603 24.0 242.035446 33.0 243.130432 20.0 246.679688 33.0 252.347992 23.0 259.091553 26.0 267.076141 56.0 272.649445 21.0 289.456848 23.0 298.061005 41.0 308.92514 20.0 309.161835 24.0 312.685699 52.0 326.362274 21.0 330.097076 20.0 341.179993 33.0 350.713013 21.0 358.15152 46.0 377.17218 18.0 377.681458 35.0 383.493683 29.0 390.198608 22.0 415.120575 21.0 425.722626 18.0 433.134552 18.0 451.545654 29.0 479.830078 18.0 489.185211 17.0 510.144958 20.0 514.944397 23.0 521.085876 18.0 541.738647 21.0 541.986267 18.0 557.125 42.0 585.99646 18.0 614.264587 18.0 664.22406 20.0 668.136841 21.0 682.196045 20.0 732.156555 22.0 763.929321 18.0 766.75946 21.0 779.334961 18.0 803.354858 18.0 847.313477 21.0 848.226257 17.0 864.819092 18.0 871.218506 18.0 903.161499 32.0 923.042297 23.0 941.376343 20.0 974.165222 18.0 1032.529785 22.0 1058.688477 22.0 1065.168091 18.0 1065.280884 19.0 1081.316284 20.0 1083.319458 18.0 1097.372192 18.0 1102.466187 20.0 1116.142578 27.0 1130.135986 29.0 1141.331787 19.0 1175.300049 21.0 1188.101929 18.0 1188.203979 29.0 END IONS BEGIN IONS SCANS=179 PEPMASS=164.07128 CHARGE=-1 COLLISION_ENERGY=0.0 72.008224 1230.0 77.039551 96.0 79.956787 218.0 85.829239 39.0 91.055061 416.0 92.06366 29.0 103.054237 2964.346191 104.057144 373.0 118.061684 90.0 234.713455 18.0 242.108932 20.0 292.260071 21.0 293.324677 18.0 301.873199 29.0 310.29837 17.0 318.11731 17.0 346.402252 18.0 350.313385 27.0 390.434662 20.0 410.929016 18.0 435.065277 28.0 435.594208 20.0 437.062164 17.0 448.480133 20.0 560.052429 20.0 655.953125 18.0 663.131104 18.0 720.090149 17.0 787.515076 22.0 822.108459 18.0 904.377869 25.0 911.157959 18.0 933.993835 18.0 964.443909 18.0 995.920837 24.0 1020.307495 18.0 1062.434692 18.0 1102.026367 20.0 1122.001343 24.0 1122.190063 27.0 1197.275513 21.0 END IONS BEGIN IONS SCANS=180 PEPMASS=267.07237 CHARGE=0 COLLISION_ENERGY=0.0 61.025917 48.0 79.029289 61.0 89.02491 260.0 92.024506 171.0 96.956696 47.0 96.96846 59.0 106.040314 76.0 108.019661 161.0 134.036087 79.0 135.030899 4879.001465 136.035522 600.0 149.04483 309.0 150.044983 56.0 159.025208 37.0 177.040695 393.0 179.035324 915.0 180.036591 106.0 196.980042 182.0 201.037598 36.0 206.09465 28.0 223.960327 24.0 229.577499 33.0 235.048355 129.0 325.072296 37.0 330.481842 27.0 332.011963 18.0 332.539673 21.0 339.889099 22.0 344.122864 20.0 357.66449 19.0 375.063782 20.0 454.628693 20.0 469.346588 18.0 558.138306 19.0 559.204285 21.0 622.80957 18.0 644.177429 55.0 654.957825 20.0 690.089172 19.0 741.773621 44.0 755.077148 30.0 763.188477 18.0 841.282349 20.0 946.250793 18.0 985.042053 20.0 1026.286987 17.0 1057.504639 19.0 1112.210815 18.0 1126.197998 21.0 1137.305542 19.0 1198.453491 19.0 END IONS BEGIN IONS SCANS=181 PEPMASS=243.06154 CHARGE=0 COLLISION_ENERGY=0.0 61.98856 617.0 69.037704 36.0 79.708267 25.0 82.030945 98.0 96.045181 144.0 99.923439 74.0 103.917915 239.0 110.02417 358.859528 111.02034 259.842773 124.026047 59.0 140.034424 396.0 149.915085 176.0 152.029373 132.220612 153.029938 4324.0 154.034378 266.085541 155.032166 55.0 183.041168 391.0 195.906204 191.0 213.049637 42.0 272.895172 21.0 297.151581 18.0 297.997101 20.0 303.973297 27.0 304.944366 27.0 306.057983 39.0 309.997314 20.0 318.091431 23.0 342.089081 18.0 387.226562 20.0 412.741791 30.0 431.547485 18.0 435.136292 19.0 438.000183 18.0 447.068207 17.0 450.244904 32.0 457.08017 31.0 460.166901 38.0 465.121857 23.0 467.541473 20.0 484.142944 20.0 538.333435 19.0 545.873779 18.0 550.124634 20.0 617.190979 25.0 670.799438 21.0 681.872192 18.0 754.071045 18.0 812.799316 18.0 826.047913 22.0 843.431274 18.0 858.062073 18.0 904.462036 18.0 910.027405 18.0 930.103516 18.0 934.335815 18.0 958.398132 31.0 968.250671 18.0 1000.446167 23.0 1030.628418 25.0 1037.877808 18.0 1059.032349 18.0 1064.054688 20.0 1110.897583 17.0 1118.193848 22.0 1141.058838 18.0 1192.650024 18.0 END IONS BEGIN IONS SCANS=182 PEPMASS=130.08676 CHARGE=0 COLLISION_ENERGY=0.0 66.038704 44.0 71.012444 145.0 80.586632 43.0 82.062035 31.0 84.081566 61.0 87.009758 27.0 160.336319 18.0 168.052139 18.0 176.978622 20.0 177.764038 21.0 186.567978 17.0 223.153854 20.0 231.934204 20.0 256.97467 18.0 260.39856 20.0 272.290894 30.0 275.76825 20.0 277.12204 38.0 294.411346 20.0 304.456635 18.0 305.092621 34.0 306.058929 34.0 310.005859 30.0 325.559021 22.0 353.962067 21.0 354.849335 19.0 376.441223 18.0 395.277161 17.0 405.639496 24.0 410.11731 18.0 431.163391 19.0 431.314758 18.0 438.129913 23.0 454.11792 22.0 459.911072 23.0 463.867981 17.0 472.062958 17.0 481.101105 22.0 493.03595 19.0 512.085144 17.0 516.979309 21.0 543.18988 19.0 549.918335 20.0 571.122253 18.0 598.237549 24.0 616.360779 25.0 623.316162 18.0 626.297913 18.0 692.268372 17.0 702.317993 17.0 745.063416 17.0 752.210693 17.0 791.325867 24.0 792.202209 18.0 798.963074 36.0 806.956421 18.0 809.101013 18.0 821.922302 20.0 845.403198 20.0 855.669617 23.0 881.002869 20.0 919.141602 26.0 946.364075 18.0 970.343262 23.0 970.400635 22.000002 972.178406 26.0 984.136963 24.0 1003.306396 21.0 1006.513672 28.0 1006.791504 18.0 1044.200684 17.0 1050.059692 47.0 1058.854004 22.0 1084.849731 20.0 1118.889893 19.0 1122.973022 19.0 1161.375 17.0 1177.01416 20.0 1185.047607 32.0 END IONS BEGIN IONS SCANS=183 PEPMASS=438.12498 CHARGE=0 COLLISION_ENERGY=0.0 54.615238 23.0 55.771481 21.0 61.987274 976.0 65.34491 35.0 71.027168 25.0 74.022667 23.0 103.926727 28.0 116.922501 37.0 128.702927 22.0 137.030258 42.0 139.252441 29.0 142.217026 22.0 153.499649 39.0 168.030365 37.0 173.963654 36.0 177.056595 26.0 179.05722 24.0 197.042038 25.0 211.138138 22.0 218.084976 25.0 219.086304 32.0 220.934509 23.0 229.035568 23.999998 231.020874 23.0 252.078674 23.0 259.335175 32.0 265.144958 25.0 274.117371 30.0 277.015259 23.0 287.162933 24.0 305.93515 22.0 307.896667 32.0 319.059753 28.0 326.190338 21.0 331.0737 21.0 333.030945 30.0 350.075745 22.0 355.879822 20.0 357.105682 28.0 368.945465 40.0 373.904602 26.0 389.012909 20.0 465.133392 19.0 472.074432 20.0 472.117706 18.0 476.143951 18.0 478.079773 18.0 495.256042 22.0 509.300262 23.0 514.034058 18.0 534.914612 20.0 560.882446 18.0 571.154968 18.0 653.209839 17.0 659.994751 18.0 684.123352 28.0 695.229675 20.000002 703.811462 37.0 727.234314 18.0 743.141418 20.0 784.49469 18.0 795.139648 22.0 798.887146 20.0 807.134033 19.0 828.499023 18.0 830.122986 18.0 833.510803 18.0 922.260681 18.0 955.424133 19.0 965.724976 33.0 971.324402 21.0 992.961365 18.0 1003.346497 20.0 1017.668457 18.0 1067.031128 26.999998 1068.797363 22.0 1113.349731 17.0 1134.464355 17.0 1139.059937 17.0 1175.063232 22.0 1180.115845 18.0 1188.387939 18.0 END IONS BEGIN IONS SCANS=184 PEPMASS=255.05385 CHARGE=0 COLLISION_ENERGY=0.0 61.986645 93.0 71.047966 39.0 85.029663 40.0 96.959404 3079.0 97.96022 39.0 98.957855 152.0 115.037224 50.0 116.923889 20.0 122.372643 21.0 125.02449 20.0 139.493271 22.0 144.074707 21.0 157.086288 69.0 164.902191 26.0 168.435287 24.0 171.007599 37.0 175.096786 529.0 176.099136 45.0 202.377045 31.0 217.03096 20.0 221.060638 75.0 303.659698 23.0 310.090942 19.0 334.115906 25.0 343.234131 18.0 348.215698 18.0 348.562653 24.0 350.166351 23.0 357.44339 21.0 361.060272 17.0 361.280975 25.0 361.727539 18.0 389.273804 20.0 411.904694 36.0 421.671509 18.0 462.618866 20.0 467.873505 18.0 472.152313 20.0 483.010834 18.0 543.082703 19.0 558.132324 17.0 576.156555 24.0 578.135498 17.0 583.135376 20.0 588.66156 27.0 605.046387 17.0 654.259033 17.0 658.714233 26.0 686.598694 18.0 714.256042 18.0 718.42395 17.0 720.177979 18.0 726.106812 29.0 769.538574 19.0 793.196655 17.0 811.885071 20.0 822.276855 20.0 830.275635 21.0 848.449219 23.0 854.065002 18.0 856.138794 17.0 937.284119 18.0 955.551147 23.0 967.74408 22.0 992.285278 20.0 992.819275 19.0 1046.349243 23.0 1051.23291 20.0 1103.136963 18.0 1104.35083 18.0 1126.067261 18.0 1159.241577 18.0 1182.36853 18.0 1184.439697 18.0 END IONS BEGIN IONS SCANS=185 PEPMASS=610.12542 CHARGE=-1 COLLISION_ENERGY=0.0 61.987614 644.0 75.011276 22.0 87.011749 22.0 89.023697 72.0 90.357635 20.0 92.449333 20.0 101.023415 75.0 115.001862 101.0 126.997353 51.0 133.063324 45.0 135.032074 65.0 143.05455 27.0 173.065063 51.0 175.024078 1295.022949 176.032852 149.0 177.03125 66.0 177.057159 115.0 179.054672 157.0 205.05101 179.0 206.053558 68.0 217.050415 57.0 233.080307 42.0 236.879211 28.000002 249.039215 769.0 250.043839 155.0 256.061707 25.0 263.050446 41.0 264.072693 20.0 273.036804 20.0 279.301575 22.0 300.020782 39.0 301.033752 61.0 305.066986 65.0 307.04541 375.0 323.069977 207.0 349.060211 39.0 351.067261 20.0 363.128571 18.0 367.066895 188.0 368.064758 19.0 387.14386 17.0 403.928711 20.0 427.407959 24.0 429.103058 76.0 431.975861 19.0 435.263947 18.0 446.324402 26.0 462.013397 27.0 463.971954 18.0 465.822235 22.0 483.194672 23.0 487.104187 19.0 493.067993 20.0 502.109161 18.0 507.169006 18.0 532.206604 20.0 547.659729 20.0 560.293213 18.0 566.218445 18.0 567.164673 22.0 586.182739 17.0 667.898865 18.0 688.789124 17.0 693.177063 19.0 702.266479 18.0 756.246155 18.0 773.681824 18.0 956.269104 18.0 1003.645325 25.0 1069.301514 21.0 1090.17395 18.0 1099.07312 20.0 1133.388794 18.0 1155.256226 18.0 END IONS BEGIN IONS SCANS=186 PEPMASS=130.08674 CHARGE=0 COLLISION_ENERGY=0.0 54.478142 24.0 65.080879 26.0 71.011345 135.0 82.069519 68.0 88.223679 27.0 89.025307 27.0 156.090454 27.0 157.803238 29.0 159.694031 32.0 162.904465 24.0 196.250839 19.0 197.549377 21.0 205.09111 36.0 218.537308 22.0 223.143402 29.0 227.176651 22.0 230.260193 21.0 245.077087 22.0 263.987183 20.0 267.562195 18.0 277.878632 19.0 280.814789 18.0 298.321014 30.0 298.630554 18.0 317.163605 18.0 318.605377 18.0 322.647949 19.0 331.717499 18.0 343.006592 18.0 344.272217 23.0 351.421173 17.0 375.916595 23.0 393.770264 20.0 394.568939 18.0 421.750214 22.0 454.655823 20.0 454.817993 20.0 458.280365 19.0 470.190491 26.0 483.048462 20.0 490.352325 25.0 512.551331 18.0 528.201172 21.0 545.731628 18.0 551.032471 18.0 554.293518 18.0 580.198364 17.0 584.472046 23.0 642.20752 17.0 646.236511 20.0 686.318054 19.0 708.945557 18.0 746.029114 20.0 826.855835 17.0 885.188416 19.0 1017.72406 18.0 1077.106445 17.0 1097.411621 17.0 1151.21228 18.0 END IONS BEGIN IONS SCANS=187 PEPMASS=438.12521 CHARGE=-1 COLLISION_ENERGY=0.0 50.720596 35.0 56.02927 36.0 61.987633 2454.0 62.540947 38.0 62.984692 36.0 97.00563 37.0 114.035507 45.0 115.629356 30.0 119.037079 38.0 138.44397 29.0 146.969086 38.0 149.862564 29.0 157.036407 43.0 163.034317 29.999998 166.050308 38.0 187.073608 26.0 190.041336 27.0 192.983856 30.0 206.571945 27.0 217.43248 32.0 218.150162 26.0 234.082123 25.0 234.10614 33.0 243.054901 26.0 271.793182 25.0 272.025299 27.0 274.074646 52.0 282.106232 64.0 284.061462 44.0 289.047058 28.0 302.918976 20.0 308.159698 29.0 324.088837 25.0 325.186981 27.0 333.088135 21.0 339.190308 25.0 353.995911 20.0 362.235535 18.0 366.822083 20.0 384.441895 20.999998 390.164307 19.0 391.1091 45.0 411.117493 20.0 459.069519 32.0 507.769623 18.0 541.239197 24.0 542.186646 20.0 547.133179 18.0 560.14032 17.0 563.160706 17.0 592.116333 25.0 593.166199 56.000004 594.175598 47.0 615.158142 18.0 621.989441 18.0 625.233459 25.0 635.20697 18.0 639.484558 18.0 639.611389 21.0 656.147644 19.0 676.981628 18.0 681.214722 21.0 687.401611 34.0 688.983154 22.0 713.300842 23.0 739.665161 22.0 741.17334 18.0 741.226013 18.0 758.310974 18.0 767.503418 22.0 786.80896 19.0 812.249451 19.0 818.457031 18.0 832.121826 18.0 835.335144 24.0 837.031799 18.0 839.795898 18.0 869.241516 19.0 912.174438 20.0 966.268677 18.0 983.211792 20.0 1013.281311 20.0 1015.290833 23.0 1039.703003 24.0 1040.207153 18.0 1052.072754 18.0 1060.714722 17.0 1074.150513 26.0 1087.726929 26.0 1112.394653 20.0 1115.588135 20.0 1140.244385 19.0 1185.695557 18.0 END IONS BEGIN IONS SCANS=188 PEPMASS=157.03625 CHARGE=0 COLLISION_ENERGY=0.0 59.024414 206.0 71.023918 772.65741 93.335793 50.0 97.003693 8353.24707 98.007919 380.0 99.010185 51.0 114.030228 7064.674805 115.032112 447.0 116.03463 56.0 133.27388 33.0 199.757523 34.0 205.354416 19.0 217.384079 20.0 220.032974 36.0 240.472183 18.0 241.441437 32.0 258.598083 18.0 283.078949 41.0 291.693573 20.0 295.631165 19.0 307.396881 17.0 314.521637 18.0 315.085663 18.0 320.426544 60.0 325.068298 55.0 329.897247 17.0 460.108002 17.0 478.591583 22.0 485.558411 31.0 492.659637 28.0 555.922607 20.0 606.713928 28.0 691.235779 23.0 831.004089 18.0 847.735657 18.0 876.207458 18.0 945.017822 23.0 1039.358521 34.0 1065.233032 20.0 1079.442017 20.0 1140.206421 18.0 1144.176147 24.0 1166.650635 26.0 END IONS BEGIN IONS SCANS=189 PEPMASS=543.15742 CHARGE=-1 COLLISION_ENERGY=0.0 53.254982 18.0 74.283508 29.0 78.961662 26.0 84.009308 20.0 96.020218 133.0 97.008476 19.0 101.019554 21.0 102.541908 18.0 111.918015 25.0 123.010063 24.0 124.014763 942.0 125.016121 26.0 166.013458 73.0 166.053894 746.0 167.02066 24544.0 167.059479 89.144432 168.022766 1912.0 169.024338 309.0 207.379059 26.0 216.885178 23.0 224.301392 21.0 238.947998 24.0 242.013107 34.0 244.911102 26.0 253.090591 20.0 259.033417 22.0 262.835083 31.0 263.141052 20.0 266.121674 20.0 273.934448 20.0 300.742096 20.0 311.174652 75.0 325.186401 18.0 335.0495 79.0 339.112061 40.0 342.338715 23.0 362.94754 18.0 363.359528 26.0 371.059875 22.0 377.190399 21.0 378.115936 20.0 451.987305 22.0 462.307404 17.0 475.056091 19.0 483.0867 18.0 487.021454 18.0 495.048676 18.0 501.02124 21.0 606.351257 18.0 625.473145 23.0 921.29425 21.0 1019.999084 24.0 END IONS BEGIN IONS SCANS=190 PEPMASS=151.06078 CHARGE=0 COLLISION_ENERGY=0.0 59.013248 1256.10498 71.013199 1969.305786 73.029266 452.0 85.028603 215.0 89.023895 1694.846802 97.030655 131.0 101.024391 994.727417 103.034996 40.0 113.023415 78.0 119.033066 252.0 131.034744 80.0 184.022491 25.0 218.307175 24.0 219.375244 18.0 219.540237 33.0 246.55162 21.0 249.305222 17.0 262.740814 22.0 265.546722 18.0 278.295319 45.0 324.530731 18.0 335.050995 21.0 351.038513 24.0 364.129272 18.0 388.399292 33.0 429.572449 17.0 439.01947 22.0 457.589325 22.0 717.727417 34.0 998.856445 18.0 1019.555664 20.0 END IONS BEGIN IONS SCANS=191 PEPMASS=335.04898 CHARGE=-1 COLLISION_ENERGY=0.0 60.799694 39.0 61.450695 46.0 69.008865 314.0 96.019463 1310.469604 97.00647 241.0 97.026344 48.0 116.533279 50.0 123.031387 178.0 124.014908 12023.083984 125.016541 967.713135 126.021561 66.0 149.00592 36.0 167.021027 86244.640625 167.079773 2976.0 168.023315 7319.708984 169.025482 814.0 176.05867 133.0 177.060577 128.0 213.014084 34.0 217.98996 50.0 219.074997 56.0 222.174194 86.0 235.996246 44.0 249.078415 80.0 252.017319 22.0 258.060699 22.0 261.079041 33.0 266.949188 25.0 267.392822 21.0 290.559509 33.0 356.332947 20.0 357.040527 25.0 366.887421 18.0 384.233429 22.0 389.979126 18.0 391.984344 20.0 406.378326 20.0 409.100555 18.0 425.788025 22.0 427.954193 23.0 438.133698 20.0 445.495605 22.0 473.088867 20.0 481.61853 23.0 485.654907 25.0 488.258179 20.0 503.071228 43.0 505.361755 21.0 505.981171 22.0 557.017273 20.0 585.683655 22.0 596.507263 27.0 598.999573 20.0 671.102234 23.0 708.272644 20.0 710.109985 30.0 773.969543 18.0 788.832153 18.0 793.108765 28.0 817.31073 18.0 845.319824 25.0 867.070801 26.0 893.085144 20.0 997.557556 17.0 1024.041382 26.0 1033.181396 18.0 1054.361206 18.0 1062.53894 18.0 1071.449707 18.0 1085.10022 18.0 1134.204834 27.0 1166.023071 30.0 1179.35144 22.0 1191.183594 31.0 END IONS BEGIN IONS SCANS=192 PEPMASS=167.02074 CHARGE=-1 COLLISION_ENERGY=0.0 68.023766 62.0 69.008781 674.0 79.95565 107.0 81.007751 106.0 96.019295 3797.363281 97.004387 804.368958 123.006462 113.0 123.029259 158.0 124.014595 15755.43457 125.018227 758.0 126.021393 100.0 141.018982 47.0 214.976959 22.0 219.54216 22.0 220.271164 43.0 221.814728 28.0 225.029785 22.0 229.7686 26.0 262.172729 19.0 262.460175 29.0 288.588287 18.0 289.745667 18.0 290.816162 20.0 299.528839 20.0 300.079407 31.0 311.111237 20.0 318.286865 28.0 327.173676 18.0 335.047913 229.0 338.297302 34.0 354.326843 28.0 371.252136 20.0 397.123657 18.0 416.946381 26.0 438.12793 18.0 440.836639 18.0 449.852173 18.0 458.753235 20.0 497.190094 22.0 503.075317 89.0 515.572693 21.0 534.103027 18.0 539.589233 35.0 541.229858 29.0 719.377197 18.0 725.052612 25.0 758.00592 39.0 771.982971 20.0 796.621094 18.0 806.555786 18.0 816.477417 18.0 828.004883 28.0 839.124268 25.0 904.19342 17.0 922.865845 17.0 928.146973 21.0 935.141907 18.0 939.374939 18.0 945.160706 17.0 972.200806 19.0 984.096008 19.0 1010.609436 34.0 1053.10437 18.0 1054.651855 18.0 1075.194702 18.0 1127.30957 20.0 1137.294678 29.0 1184.228027 18.0 END IONS BEGIN IONS SCANS=193 PEPMASS=421.13479 CHARGE=-1 COLLISION_ENERGY=0.0 59.013016 1091.0 60.016689 77.0 71.013344 1269.0 89.023727 3916.0 90.027519 158.0 95.014069 149.0 101.023933 1492.0 113.023575 1248.0 119.033897 1866.547485 131.034378 245.0 143.034744 367.0 149.046799 393.0 154.056976 50.0 161.045792 769.240356 179.055344 4894.0 180.058502 248.0 181.062866 76.0 197.959381 264.0 203.080627 52.0 211.938858 24.0 223.968857 28.0 225.066132 45.0 225.9552 162.0 227.975662 55.0 253.987839 22.0 254.934402 25.0 256.96225 35.0 265.162903 42.0 291.094971 23.0 293.200623 32.0 315.105225 63.0 315.978058 56.0 334.079071 26.0 335.052704 58.0 335.083405 34.0 340.609528 31.0 355.214752 37.0 372.421326 51.0 372.720978 22.0 375.127106 112.0 376.123169 24.0 393.172668 25.0 455.156982 21.0 461.107117 22.0 469.949493 18.0 476.887085 22.0 499.18985 24.0 506.523041 18.0 517.287842 18.0 522.397095 20.0 531.382874 21.0 543.141113 17.0 573.467041 18.0 598.502747 25.0 636.670349 24.0 637.509644 18.0 638.574524 20.0 745.167786 21.0 763.228088 21.000002 774.749634 20.0 787.24292 17.0 853.257385 22.0 861.275452 21.0 893.154236 24.0 897.779541 19.0 997.180481 43.0 1034.320557 18.0 1099.047729 20.0 1160.420532 23.0 1184.348145 18.0 END IONS BEGIN IONS SCANS=194 PEPMASS=438.12494 CHARGE=-1 COLLISION_ENERGY=0.0 61.98719 4220.0 62.127251 25.0 62.884357 25.0 62.993786 25.0 68.565445 29.0 75.628754 27.0 115.462715 26.0 123.254852 31.0 133.013748 45.0 137.804428 26.0 145.218643 34.0 146.707077 30.999998 160.888351 25.0 167.022949 230.0 168.024399 23.0 171.072495 45.0 177.554611 42.0 184.501923 23.0 209.582062 38.0 216.008728 25.0 218.603104 28.0 225.674759 36.0 235.310303 35.0 240.051514 50.0 250.334854 26.0 258.063507 37.0 266.98941 23.0 273.024689 24.0 282.554993 23.0 289.023865 24.0 303.056732 30.0 326.439545 29.0 335.050568 119.0 340.648163 23.0 342.187378 25.0 347.049286 26.0 363.917847 25.0 364.038116 27.0 376.251495 18.0 387.775574 22.0 395.139862 18.0 462.246765 42.0 479.190918 20.0 485.090546 18.0 487.11795 21.0 502.198364 24.0 505.798218 18.0 519.941345 18.0 534.183289 78.0 543.150208 20.0 545.159485 19.0 560.648254 17.0 563.852661 26.0 579.221191 34.0 582.641846 26.000002 586.194702 18.0 612.105591 18.0 613.500061 22.0 627.976624 19.0 658.248718 17.0 663.420532 22.0 667.80011 18.0 716.279541 22.0 741.23468 19.0 749.257568 21.0 762.21106 20.0 777.151489 17.0 787.806641 19.0 789.956177 32.0 797.286194 18.0 800.29126 50.0 815.248413 20.0 873.55658 21.0 925.251465 19.0 945.349792 20.0 962.124268 28.0 963.098877 18.0 986.210815 25.0 1010.281494 21.0 1032.308228 18.0 1036.341797 18.0 1060.375122 19.0 1117.272217 25.0 1124.054077 21.0 1141.800781 20.0 1146.063965 22.0 1155.333374 26.0 1169.271606 18.0 1186.258179 19.0 1193.762939 17.0 END IONS BEGIN IONS SCANS=195 PEPMASS=203.08205 CHARGE=0 COLLISION_ENERGY=0.0 51.571987 19.0 54.140354 29.0 55.361462 20.0 74.025208 453.0 75.025856 47.0 99.683205 22.0 116.051407 1449.0 117.052757 91.0 125.025536 36.0 140.192383 25.0 142.065964 485.0 143.070892 138.0 159.093323 120.0 160.098282 60.0 178.243835 22.0 230.073868 21.0 283.073578 18.0 286.40094 25.0 289.174469 18.0 291.016785 17.0 293.646912 18.0 305.808746 18.0 318.857178 19.0 322.285736 22.0 331.339233 36.0 335.04895 49.0 337.91803 24.0 353.917542 18.0 354.183228 37.0 356.785522 19.0 369.832397 18.0 376.422607 25.0 381.821442 17.0 407.923492 18.0 416.899536 18.0 433.674377 21.0 457.582428 18.0 465.618835 22.0 475.686432 18.0 477.09256 17.0 499.178894 18.0 510.016327 19.0 516.211487 24.0 521.674622 21.0 534.531494 18.0 538.853516 35.0 549.119873 19.0 608.621155 17.0 664.870911 18.0 687.754211 17.0 688.345154 22.0 728.997314 20.0 751.013306 22.999998 760.290649 18.0 806.456482 18.0 817.063293 27.0 821.019104 18.0 866.175903 18.0 888.623291 17.0 917.14325 24.0 943.187195 18.0 956.586182 28.0 1128.379272 37.0 1137.375366 20.0 1140.406372 20.0 1151.445679 19.0 1152.136353 18.0 1180.370972 22.0 END IONS BEGIN IONS SCANS=196 PEPMASS=282.08365 CHARGE=-1 COLLISION_ENERGY=0.0 61.706371 40.0 61.988976 66.0 82.040695 64.0 87.007805 371.523743 91.739532 49.0 98.52861 60.0 107.03669 277.0 108.019722 672.416321 108.038422 50.583702 133.015778 2019.354248 146.960571 48.0 149.04213 46.0 150.041534 10337.605469 150.092682 38.0 151.044617 880.0 152.04628 56.0 156.615402 40.0 164.054901 38.0 210.293121 18.0 216.251678 21.0 217.027405 20.0 220.054367 67.0 223.02742 22.0 226.081848 24.0 254.380493 20.0 259.541443 20.0 304.496887 29.0 305.867401 21.0 307.000305 18.0 322.357178 34.0 345.089569 45.0 346.076263 27.0 357.76181 18.0 359.258087 21.0 384.786499 20.0 384.970551 25.0 394.301392 20.0 394.889099 20.0 417.93042 18.0 424.949799 18.0 428.229706 22.0 438.122375 17.0 442.241608 23.0 450.888672 21.0 510.960815 29.999998 585.277161 18.0 628.172546 40.0 629.144104 23.0 629.179565 18.0 630.202393 23.0 638.061768 30.0 893.228149 20.0 1011.835205 18.0 1105.547363 28.0 1135.759277 30.0 1158.271362 19.0 1187.519775 26.0 1193.096069 17.0 END IONS BEGIN IONS SCANS=197 PEPMASS=628.17104 CHARGE=-1 COLLISION_ENERGY=0.0 51.751457 37.0 55.40303 29.0 61.988247 1981.0 71.452614 46.0 83.70607 34.0 86.420547 33.0 108.619102 44.0 116.92807 25.0 124.97773 26.0 136.106949 28.0 139.641068 35.0 146.964005 89.0 162.94017 40.0 186.971603 27.0 192.016342 32.0 194.647995 22.0 194.903152 22.0 197.865265 24.0 203.34079 24.0 203.761368 28.000002 210.483063 56.0 211.275085 26.0 211.412628 32.0 212.153198 34.0 252.729279 26.0 282.084778 306.0 283.086426 119.0 284.087036 35.0 286.044769 24.0 295.383667 24.0 311.955658 26.0 340.745911 39.0 345.079834 3814.068359 345.828003 39.0 346.085785 519.0 347.077423 90.0 359.792542 37.0 362.485992 18.0 371.148285 18.0 378.762756 34.0 380.220245 22.0 383.033081 18.0 402.750336 41.0 409.801331 18.0 410.159241 18.0 415.04657 19.0 443.78302 22.0 449.143982 22.0 452.471558 34.0 462.882202 21.0 477.058136 18.0 483.984619 18.0 506.926849 21.0 509.081146 20.0 511.469849 19.0 530.250854 18.0 530.922058 21.0 542.054077 20.0 557.807251 18.0 565.167603 30.0 566.11554 18.0 579.257568 19.0 584.356506 27.0 588.045776 18.0 684.387024 21.0 688.160889 17.0 695.071533 24.0 703.026001 19.0 708.608887 20.0 720.980896 18.0 729.133423 18.0 735.526428 18.0 749.177063 18.0 759.010559 18.0 767.067871 20.0 807.39093 17.0 837.080261 17.0 869.04541 33.0 891.036499 18.0 942.280029 31.0 972.574402 17.0 974.976562 18.0 975.251831 18.0 975.983582 18.0 1011.885132 18.0 1037.179932 18.0 1043.040771 30.0 1112.215698 18.0 1131.38623 20.0 1136.154541 18.0 1142.399414 28.0 1148.333374 20.0 1178.185669 22.0 1190.320435 17.0 1190.593262 18.0 END IONS BEGIN IONS SCANS=198 PEPMASS=144.04478 CHARGE=0 COLLISION_ENERGY=0.0 61.987587 96.0 65.995079 24.0 82.715126 42.0 83.015747 25.0 85.028008 75.0 87.007057 38.0 101.026108 64.0 102.033783 81.0 171.218231 20.0 186.153809 27.0 187.798004 20.0 208.286392 30.0 228.517288 27.0 234.865128 35.0 235.202774 21.0 243.673874 23.0 247.982681 23.0 269.704468 20.0 274.020203 20.0 275.735168 20.0 281.063507 22.0 286.529663 57.0 297.313171 19.0 324.767883 21.0 325.507355 18.0 328.486877 22.0 335.236481 24.0 345.072937 24.0 349.751465 21.0 355.300964 32.0 367.105835 21.0 367.546417 21.0 393.403931 23.0 395.242584 22.0 396.535828 21.0 409.707062 18.0 424.780334 18.0 425.609528 25.0 432.102417 22.0 438.743011 18.0 455.286621 18.0 472.231964 20.0 554.679871 21.0 598.957336 18.0 651.050171 23.0 682.18927 18.0 777.713379 29.0 851.284668 25.0 946.029968 17.0 964.189636 17.0 1078.51001 27.0 END IONS BEGIN IONS SCANS=199 PEPMASS=188.03477 CHARGE=0 COLLISION_ENERGY=0.0 61.984303 38.0 65.998192 98.0 84.042618 24.0 85.02887 110.0 87.008072 199.0 88.014595 26.0 102.03376 135.0 111.010262 125.0 125.070961 97.0 127.047806 174.0 144.044601 12026.308594 145.047989 1281.592041 159.991364 35.0 210.545776 17.0 213.629669 18.0 229.891708 17.0 254.517044 21.0 257.212982 18.0 266.861694 21.0 280.078888 18.0 285.53421 31.000002 301.300507 18.0 319.054535 18.0 320.915588 25.0 323.28891 20.0 355.214111 18.0 374.555054 19.0 425.0802 17.0 463.112976 18.0 495.214417 19.0 495.365082 22.999998 499.294678 18.0 502.062073 22.0 536.009216 23.0 711.659424 18.0 712.519836 17.0 817.934875 20.0 END IONS BEGIN IONS SCANS=200 PEPMASS=524.12556 CHARGE=0 COLLISION_ENERGY=0.0 61.987865 672.0 75.700737 30.0 85.222206 22.0 89.022362 54.0 93.040855 32.0 99.739342 20.0 120.744057 43.0 135.594559 38.0 137.023544 336.0 138.028961 85.0 146.963882 120.0 147.976151 24.0 155.030014 26.0 162.933838 35.0 175.933472 28.0 179.033585 47.0 179.066254 62.0 179.586548 35.0 207.224091 20.0 214.894226 21.0 216.345108 34.0 217.102386 20.0 217.551254 26.0 225.920135 24.0 253.493698 18.0 262.60672 25.0 267.840637 22.0 274.686035 20.0 275.933197 24.0 299.037964 20.0 301.208954 18.0 311.174255 24.0 326.074799 28.0 339.208191 30.0 341.264862 39.0 346.650543 18.0 350.130951 25.0 355.350952 27.0 366.444305 22.0 385.300079 31.0 387.960022 19.0 394.426361 20.0 406.892578 23.0 407.008972 17.0 410.02124 20.0 417.29657 18.0 433.34903 18.0 445.476074 24.0 454.01239 18.0 461.128113 267.0 461.245483 18.0 462.138794 98.0 486.051941 18.0 500.765259 18.0 502.533234 20.0 550.783508 18.0 625.0896 18.0 707.015686 27.0 772.739319 17.0 783.569153 35.0 807.234985 18.0 893.296936 18.0 910.005005 22.0 1103.892578 18.0 END IONS BEGIN IONS SCANS=201 PEPMASS=367.10463 CHARGE=0 COLLISION_ENERGY=0.0 71.013695 361.0 71.708366 27.0 75.175644 46.0 82.374763 28.999998 85.031837 89.0 97.029015 53.0 113.02388 930.254761 114.025421 174.0 115.019958 691.0 125.022873 133.0 144.041656 191.463516 145.02919 140.0 157.031708 305.0 169.030548 451.756897 186.046646 401.376007 187.040649 1379.0 187.10672 114.0 188.039795 117.0 202.048386 76.0 204.056061 108.0 205.051315 511.232117 217.049927 139.0 226.879105 75.0 247.05748 74.0 276.077545 252.0 277.07193 1547.0 278.0755 142.0 279.08374 148.0 286.616913 30.0 296.579102 36.0 303.108002 53.0 306.098907 20.0 307.087921 105.0 308.072601 20.0 308.526489 22.0 324.103546 20.0 389.109528 691.0 390.117279 187.0 402.10257 23.0 404.590851 17.0 435.076996 17.0 448.719025 20.0 452.097839 18.0 453.197021 40.0 490.044556 24.0 499.056793 25.0 573.568359 19.0 594.578674 23.0 607.263916 24.0 614.629211 24.0 631.528564 19.0 635.175598 18.0 657.180359 18.0 669.165405 18.0 708.557556 18.0 722.250671 18.0 730.452087 37.0 779.220032 157.0 780.246094 101.0 781.224548 18.0 782.232239 23.0 801.212158 35.0 815.980469 21.0 817.165344 102.0 819.167358 22.0 823.236572 18.0 832.143616 20.0 911.742065 22.0 941.310486 22.0 947.449585 30.0 962.320679 22.0 992.379761 18.0 1012.726135 59.0 1013.242737 26.0 1020.709656 43.0 1025.209961 30.0 1025.268799 30.0 1043.341553 20.0 1050.25 20.0 1066.64624 22.0 1075.484375 20.0 1095.295654 20.0 1125.740356 32.0 1136.712646 18.0 1141.764038 20.0 1169.800903 17.0 1188.299072 37.0 1191.356445 17.0 1192.320557 18.0 1193.289307 18.0 1199.852173 19.0 END IONS BEGIN IONS SCANS=202 PEPMASS=299.08024 CHARGE=0 COLLISION_ENERGY=0.0 56.96759 38.0 85.064041 44.0 90.757217 36.0 96.959312 9804.807617 97.957886 55.0 98.9562 454.014038 113.062042 242.0 113.095871 65.0 113.779755 42.0 115.039902 66.0 133.110474 39.0 145.272842 41.0 150.593384 32.0 159.039505 47.0 161.063065 37.0 179.032867 41.0 188.039749 37.0 193.019348 30.0 201.111984 176.0 203.103867 26.0 219.122879 1602.0 220.12442 161.0 221.126633 101.0 243.038498 28.0 269.866211 22.0 270.536804 22.0 343.810272 27.0 357.096222 18.0 366.209198 43.0 376.602936 20.0 389.108765 580.0 390.111755 78.0 393.039673 39.0 414.390381 31.0 419.415955 34.0 440.38501 19.0 444.828735 17.0 463.058411 22.0 463.893982 21.0 467.534729 17.0 489.006378 18.0 503.761566 18.0 537.190002 26.0 540.356689 20.0 547.422058 34.0 556.15979 18.0 563.19574 20.0 589.674438 22.0 607.182556 20.0 618.02655 17.0 634.141663 20.0 641.534851 17.0 676.360229 21.0 756.167664 18.0 759.208496 44.0 779.219421 112.0 780.229797 95.0 782.242188 37.0 801.202698 40.0 814.61676 18.0 817.187927 215.0 833.115662 18.0 834.127075 26.0 835.115662 20.0 866.631104 18.0 874.180359 18.0 898.289856 19.0 984.498169 20.0 990.257019 30.0 993.772888 19.0 996.251404 21.0 1012.257935 25.0 1022.200989 18.0 1031.253662 18.0 1033.197266 20.0 1057.189819 20.0 1080.199219 22.0 1088.279419 24.0 1105.547363 39.0 1144.287842 20.0 1147.284424 20.0 1169.367798 22.0 1175.72583 17.0 1188.836182 41.0 1191.346069 21.0 1194.034668 30.0 1199.329346 19.0 END IONS BEGIN IONS SCANS=203 PEPMASS=779.22478 CHARGE=-1 COLLISION_ENERGY=0.0 59.01281 783.0 71.013245 637.0 81.032684 95.0 85.029007 138.0 89.023575 2047.177734 99.043999 455.0 101.023804 1336.0 113.024429 957.76532 119.033989 1859.417847 121.028503 352.0 137.059769 3154.0 139.039291 1356.0 153.055908 579.439819 161.045044 916.0 165.054626 4728.0 166.059296 606.425659 179.054214 1849.0 183.065247 7159.686523 209.044342 6646.0 210.048141 784.0 211.05162 161.0 227.05484 5139.624023 228.059113 637.0 243.07988 44.0 252.553635 22.0 260.364075 23.0 267.621582 22.0 295.076233 25.0 296.202942 26.0 299.381042 27.0 301.676605 31.0 304.100281 20.0 304.155029 28.0 317.254333 20.0 325.080322 23.0 329.929901 22.0 389.1073 121818.460938 389.198425 5591.921387 389.396667 111.782532 390.11026 25729.326172 391.111633 4904.0 392.11676 305.0 401.490845 20.0 405.266357 33.0 406.096161 20.0 408.559052 22.0 417.386383 25.0 427.801086 23.0 467.341461 18.0 467.913025 20.0 475.085999 21.0 494.649231 20.0 540.428833 34.0 550.220703 51.0 550.314819 18.0 551.215271 18.0 557.164368 20.0 573.17572 48.0 574.246033 20.0 607.307068 20.0 635.177307 21.0 650.364624 18.0 651.157288 21.0 652.083618 19.0 652.268005 23.0 655.999451 22.0 694.188232 19.0 711.282166 23.0 711.335327 18.0 736.395142 25.0 801.208313 57.0 811.81427 20.0 817.175171 183.0 833.163025 45.0 846.14801 21.0 942.336731 37.0 974.293762 20.0 979.528625 18.0 993.232178 18.0 993.752991 20.0 994.764771 25.0 1013.750122 22.0 1027.406006 20.0 1035.698486 18.0 1036.553711 18.0 1040.317139 21.0 1043.246948 17.0 1058.454224 18.0 1060.994995 20.0 1071.461792 20.0 1101.217285 18.0 1102.434937 20.0 1125.404053 20.0 1152.861938 18.0 1169.341064 37.0 1186.609375 22.0 1188.841064 20.0 1193.304077 22.0 1199.334229 49.0 END IONS BEGIN IONS SCANS=204 PEPMASS=452.10414 CHARGE=-1 COLLISION_ENERGY=0.0 59.013977 55.0 61.015583 35.0 61.98737 5222.367188 62.294521 29.0 89.023621 193.0 99.048103 75.0 101.026634 111.0 119.036926 71.0 131.031845 62.0 135.044037 49.0 137.059021 198.0 139.03775 145.0 153.052948 57.0 161.044647 38.0 165.056076 240.0 183.066788 240.0 184.069901 40.0 191.032425 38.0 200.09552 24.0 205.188812 29.0 209.043274 189.0 212.063461 22.0 215.095627 21.0 227.054535 132.0 261.746429 19.0 272.913818 26.0 274.044739 20.0 291.800293 47.0 298.295685 24.0 299.214142 41.0 309.08667 24.0 309.207153 22.0 336.192352 22.0 340.187408 21.0 343.108215 26.0 349.099091 23.0 362.087189 23.0 389.106323 1877.28833 389.166351 37.0 390.112091 243.0 391.111816 102.0 392.665985 27.0 400.193604 22.0 419.49704 17.0 496.818878 18.0 560.593994 27.0 END IONS BEGIN IONS SCANS=205 PEPMASS=817.1808 CHARGE=-1 COLLISION_ENERGY=0.0 50.659313 20.0 57.421242 20.0 80.487762 49.0 84.785065 28.0 89.022316 68.0 99.045982 46.0 101.027344 37.0 119.006386 25.0 119.033524 226.324554 137.058746 167.0 139.037079 58.0 147.04541 69.0 165.057266 145.0 179.058807 98.0 183.065063 297.0 183.79924 34.0 184.073303 60.0 188.260223 45.0 203.634933 18.0 209.045258 279.0 210.046951 88.0 226.714386 18.0 227.054993 466.0 232.707169 28.000002 265.015656 42.0 356.933929 23.0 389.10788 3636.0 390.110352 568.0 390.995453 18.0 391.111237 53.0 394.453827 18.0 400.132599 22.0 427.063965 292.0 428.067444 38.0 465.021759 28.0 503.525757 18.0 619.281982 17.0 781.239197 18.0 END IONS BEGIN IONS SCANS=206 PEPMASS=389.10803 CHARGE=-1 COLLISION_ENERGY=0.0 59.012959 6209.644043 71.01342 6745.195312 81.0336 1525.0 85.028755 1725.0 89.023643 12495.276367 99.044518 5689.147461 101.023575 11344.128906 113.023537 6227.033691 119.03479 8984.500977 121.02877 6149.079102 137.060211 14815.314453 139.039398 11304.108398 153.054535 2617.03125 165.055115 18693.767578 166.058655 1895.416504 179.055893 3260.910156 183.06601 13876.810547 184.070038 1516.330444 209.045059 13866.467773 210.048141 1949.722412 211.053268 301.528687 227.055603 6689.208984 228.057877 569.452087 229.064362 128.0 256.599548 23.0 263.325012 18.0 265.106171 26.0 266.114105 25.0 269.074188 18.0 284.307281 18.0 305.318451 19.0 307.149567 22.0 307.194885 20.0 311.737152 41.0 317.21756 29.0 318.109833 24.0 417.074249 20.0 438.903503 17.0 439.888702 18.0 492.685028 20.0 510.55954 26.0 513.359436 22.0 564.27655 18.0 609.337158 18.0 651.164246 20.0 660.598816 26.0 687.762329 29.0 710.444641 20.0 716.607239 17.0 732.88446 18.0 775.820923 20.0 779.222351 136.0 780.245972 35.0 801.208435 20.0 817.182007 21.0 830.159668 18.0 833.117859 24.0 962.525696 21.0 983.271973 67.0 985.309814 17.0 1015.107666 18.0 1030.373169 18.0 1046.53479 31.0 1054.758179 28.0 1063.92395 32.0 1102.293579 18.0 1124.445557 19.0 1152.553833 18.0 1160.908447 18.0 1169.359985 18.0 1188.306885 20.0 1195.286865 18.0 END IONS BEGIN IONS SCANS=207 PEPMASS=569.17155 CHARGE=-1 COLLISION_ENERGY=0.0 59.013134 579.0 71.012764 828.0 81.030899 102.0 89.023102 1539.855225 97.029465 118.0 99.044174 562.0 101.024323 1301.877686 113.024826 685.361389 119.034271 1336.241577 121.029526 563.967529 137.060211 2163.0 139.040512 1178.0 153.054688 337.0 165.055084 2880.688721 179.056122 917.0 183.064987 3113.921631 184.068268 328.0 191.033188 342.374359 209.044495 3375.0 210.047058 375.0 211.04599 109.0 227.055511 1893.0 228.058701 223.0 229.065018 78.0 256.913116 24.0 287.349792 51.0 324.459473 19.0 324.615204 33.0 331.523041 22.0 333.842621 24.0 371.096344 42.0 377.92691 40.0 389.107635 28053.921875 390.111664 5717.071777 391.11438 1143.552246 392.102905 53.0 409.053925 28.0 413.593079 18.0 453.013489 30.0 453.28067 23.0 464.40213 20.0 471.252991 25.0 480.224121 18.0 490.218536 25.0 529.298645 29.0 722.514038 20.0 795.612549 23.0 1058.581665 20.0 1068.49646 23.0 1074.703857 17.0 END IONS BEGIN IONS SCANS=208 PEPMASS=367.10478 CHARGE=0 COLLISION_ENERGY=0.0 52.472992 29.0 59.016342 44.639164 71.013634 261.0 85.028282 92.0 89.022858 191.0 97.027588 47.0 113.023041 468.0 114.023506 147.0 115.019638 648.0 125.022583 141.0 130.088516 149.938873 141.066422 88.0 157.029953 519.0 169.031113 341.0 185.056427 147.0 186.046829 239.0 187.040405 1472.0 187.107956 608.0 202.049896 75.0 205.055023 644.953796 206.054733 37.0 222.017075 53.0 227.054733 63.0 240.708206 58.0 259.094452 24.0 271.927673 24.0 276.077698 398.0 277.073151 1890.0 278.073517 149.0 279.072998 122.0 307.081604 46.0 321.1875 20.0 322.039734 19.0 326.217499 19.0 335.476624 32.0 336.090973 21.0 389.10849 1080.0 390.110565 213.0 391.112732 93.0 427.075043 18.0 442.351715 20.0 450.491913 20.0 469.100494 22.0 469.31604 22.0 482.212341 23.0 506.570526 19.0 509.071533 18.0 512.929504 21.0 532.017334 19.0 543.109863 19.0 544.228638 20.0 550.21936 20.0 551.21106 19.0 559.093811 18.0 569.628845 19.0 577.143921 20.0 586.215515 24.0 605.151794 19.0 619.109192 44.0 665.041077 34.0 672.181824 20.0 693.205627 19.0 715.47406 18.0 779.230408 390.0 779.374207 20.0 780.224365 124.0 781.234558 38.0 801.209351 18.0 809.739624 20.0 817.192688 87.0 818.193054 23.0 819.162415 18.0 850.256653 23.000002 851.830322 17.0 962.312683 18.0 962.360168 17.0 979.2948 47.0 983.295105 23.0 984.287781 18.0 1007.512817 19.0 1012.233337 35.0 1015.738403 19.999998 1051.284424 18.0 1065.203125 21.0 1066.328735 20.0 1074.534424 22.0 1093.812134 18.0 1103.427612 18.0 1127.755737 18.0 1165.364624 22.0 1170.320557 29.000002 1175.44104 17.0 1188.325806 39.0 1188.822876 20.0 END IONS BEGIN IONS SCANS=209 PEPMASS=432.09905 CHARGE=-1 COLLISION_ENERGY=0.0 59.299103 27.0 61.987473 11993.0 62.291245 30.0 62.310829 25.0 63.992378 112.0 73.052994 28.0 102.818466 22.0 102.929138 27.0 112.266937 22.0 123.573151 28.0 136.479568 23.0 143.033875 88.0 161.045151 36.0 161.298187 30.0 164.889496 31.000002 166.024811 33.0 170.02742 26.0 179.052872 37.0 221.055267 37.0 228.241623 21.0 234.517593 25.0 238.265182 22.0 238.927689 23.0 245.143539 29.0 252.542191 23.0 264.159302 18.0 264.256561 18.0 269.983398 28.0 271.069763 18.0 272.822998 18.0 312.72821 17.0 320.230896 21.0 329.135071 27.0 332.438049 18.0 333.931641 17.0 340.235413 18.0 361.307281 18.0 375.629059 22.0 381.296265 18.0 391.531403 18.0 405.074646 45.0 469.393738 18.0 500.446625 20.0 520.077576 18.0 538.875366 21.0 553.659546 21.0 558.303894 18.0 592.927429 24.000002 741.206543 23.0 917.03949 41.0 943.917542 18.0 952.076843 18.0 1014.104919 19.0 1051.077026 20.0 1053.68396 18.0 1073.391968 17.0 1104.181396 24.0 1106.002686 22.0 1162.347656 17.0 END IONS BEGIN IONS SCANS=210 PEPMASS=116.07132 CHARGE=0 COLLISION_ENERGY=0.0 52.045448 26.0 54.146534 40.0 64.646965 23.0 70.123703 24.0 75.761871 26.0 141.689484 29.0 160.849472 35.0 177.512329 21.0 184.238449 31.000002 184.956284 25.0 191.692093 23.0 194.38446 32.0 216.993759 24.0 220.079987 26.0 235.477615 24.0 236.50943 40.0 236.557068 48.0 240.972839 29.0 261.737976 24.0 266.483215 21.0 267.450134 29.0 287.613617 20.0 288.096802 20.0 292.514771 24.0 300.052063 24.0 310.931213 19.0 315.795441 18.0 319.505463 19.0 334.873993 18.0 338.212311 23.0 355.271484 19.0 362.64267 17.0 363.368683 18.0 366.116333 25.0 380.172882 18.0 390.728912 18.0 415.437531 18.0 440.134521 18.0 441.939667 29.0 446.482208 33.0 454.974091 43.0 460.283813 33.0 480.270935 18.0 506.107727 18.0 511.574615 21.0 512.784363 21.0 554.267212 22.0 574.352722 19.0 605.596741 19.0 627.100037 20.0 634.831055 18.0 642.712952 25.0 645.593628 17.0 658.289673 18.0 664.127136 18.0 674.667236 18.0 708.23645 21.0 714.39856 26.0 725.826172 17.0 751.010071 18.0 868.721619 18.0 878.523438 27.0 1089.352905 19.0 1147.394409 17.0 1185.30542 23.0 END IONS BEGIN IONS SCANS=211 PEPMASS=217.08229 CHARGE=0 COLLISION_ENERGY=0.0 71.014748 59.0 82.027512 109.0 83.062202 92.0 84.044449 322.0 86.531464 60.0 88.040611 218.577682 101.071777 1114.0 111.057053 184.0 127.049767 255.0 128.033112 491.0 129.070267 62.0 137.02623 60.0 153.983551 65.0 155.083908 344.0 173.092712 274.0 193.718002 45.0 252.957916 19.0 258.536957 17.0 263.371033 17.0 268.142578 18.0 268.941315 19.0 299.581635 27.0 300.891907 21.0 305.557648 21.0 313.80835 18.0 316.566315 23.0 326.869293 18.0 328.609131 18.0 362.696442 22.0 367.622131 18.0 370.145386 18.0 384.880188 25.0 385.744568 20.0 396.615784 25.0 405.471436 18.0 409.77832 20.0 426.705505 18.0 432.112244 61.0 440.39624 18.0 448.453461 19.0 472.333069 21.0 478.49884 17.0 481.18988 20.0 485.183441 17.0 489.637177 38.0 492.302673 25.0 504.177094 30.0 542.256775 20.0 548.963196 22.0 551.233704 17.0 568.114563 27.000002 614.543945 18.0 631.436279 24.999998 678.337097 26.0 701.162415 18.0 713.366882 20.0 739.299316 18.0 749.522095 18.0 884.241699 21.0 904.723755 20.0 972.351013 27.0 1010.320007 18.0 1121.488037 35.000004 1149.272705 18.0 1173.62439 21.0 END IONS BEGIN IONS SCANS=212 PEPMASS=129.01874 CHARGE=0 COLLISION_ENERGY=0.0 59.517643 44.0 62.665741 20.0 67.808891 65.0 71.89325 24.0 74.77179 46.0 85.029839 528.0 162.940018 17.0 163.783264 18.0 173.413513 22.0 186.31134 18.0 196.396713 18.0 199.472412 18.0 211.318832 22.0 213.321823 20.0 226.132202 20.0 231.94165 20.0 232.756088 23.0 237.616989 24.0 250.972565 20.0 265.093231 18.0 270.86557 18.0 272.062561 18.0 272.755402 40.0 293.807007 18.0 302.503235 20.0 309.761841 48.0 318.906677 18.0 342.894257 20.0 346.694397 18.0 358.121429 28.0 366.470062 18.0 383.198517 24.0 391.060089 18.0 416.401794 22.0 433.213287 17.0 441.190399 18.0 443.498962 18.0 466.156189 20.0 478.035217 18.0 483.658905 17.0 509.218506 37.0 531.966309 20.0 584.774841 32.0 658.862671 30.999998 719.042908 18.0 749.255737 18.0 798.357727 18.0 821.864807 18.0 901.376282 20.0 903.983582 20.0 918.143372 17.0 936.94165 18.0 954.229309 25.0 1023.925354 17.0 1083.928345 20.0 1091.780029 18.0 1137.128052 18.0 1170.867798 17.0 1180.874512 18.0 END IONS BEGIN IONS SCANS=213 PEPMASS=194.99623 CHARGE=0 COLLISION_ENERGY=0.0 52.032578 39.0 75.009796 34.0 79.956009 56.0 80.964691 1578.479004 81.969841 67.737633 82.960091 109.0 114.055855 140.0 120.998192 40.0 135.016052 54.0 136.251526 28.0 139.052338 27.0 146.969009 92.0 151.007736 60.0 219.022766 21.0 235.164169 17.0 244.351624 22.0 258.410706 20.0 266.316742 17.0 268.004791 20.0 280.199707 18.0 282.081909 21.0 311.110535 22.0 315.75946 24.0 321.945679 17.0 321.998535 25.0 330.026703 22.0 344.194946 18.0 370.912598 18.0 385.10733 20.0 386.094849 22.0 391.716644 82.0 394.058319 28.0 405.539886 17.0 407.591522 17.0 423.051788 27.0 426.872528 20.0 429.051086 22.0 432.100464 37.0 508.660004 18.0 535.9552 18.0 544.308716 18.0 561.27948 23.0 568.30188 22.0 569.126892 20.0 580.765503 17.0 679.043457 26.0 681.973877 18.0 709.891846 21.0 718.77533 22.0 771.118774 21.0 797.485779 21.0 816.655884 18.0 817.165649 25.0 823.393372 28.0 831.092102 18.0 848.184753 30.0 881.842224 22.0 900.039368 18.0 901.058044 20.0 934.835083 18.0 970.83197 22.0 972.066101 19.0 990.164734 22.0 1021.251648 20.0 1066.957275 18.0 1137.182617 19.0 1137.446777 20.0 1139.912476 20.0 1140.255371 49.0 1143.129761 60.0 1195.68811 22.0 END IONS BEGIN IONS SCANS=214 PEPMASS=114.05556 CHARGE=0 COLLISION_ENERGY=0.0 70.169197 27.0 74.597855 29.0 82.82605 49.0 86.022873 54.0 91.703568 37.0 153.066818 49.0 156.459869 20.0 164.232315 20.0 166.110046 30.0 189.080887 21.0 196.887909 27.0 202.608734 22.0 207.080597 20.0 208.707428 20.0 214.882706 37.0 227.502747 24.0 241.873184 23.0 253.200241 24.0 258.956543 18.0 259.257782 28.0 286.15799 18.0 291.057373 20.0 298.999359 20.0 300.125916 29.0 301.269562 20.0 322.077118 18.0 332.048401 20.0 332.088776 18.0 342.508453 19.0 350.12207 26.0 355.226166 22.0 355.448486 24.0 361.663879 24.0 365.083221 20.0 405.192261 26.0 420.114319 18.0 432.096252 22.0 434.125122 18.0 441.949066 85.0 529.757446 18.0 552.200012 18.0 610.324585 28.0 651.151489 17.0 651.991272 20.0 693.148193 21.0 758.900696 18.0 822.053406 17.0 832.11792 20.0 1010.86499 18.0 1065.152344 18.0 END IONS BEGIN IONS SCANS=215 PEPMASS=210.08781 CHARGE=0 COLLISION_ENERGY=0.0 55.735218 43.0 72.045654 75.0 73.028503 100.0 80.037453 50.0 81.04493 131.0 93.044357 109.92923 110.071625 2262.969482 111.074364 53.0 112.040863 98.0 120.897346 51.0 137.0336 105.999992 148.088974 297.0 154.062744 1157.0 155.066681 46.0 166.097382 95.0 169.095413 48.0 176.049179 40.0 183.069519 37.0 237.600677 29.0 251.399307 20.0 261.140411 20.0 269.673767 18.0 272.264679 20.0 273.072174 24.0 283.07431 29.0 301.983337 18.0 302.027924 18.0 305.966064 32.0 317.14917 26.0 332.894348 20.0 335.9935 22.0 368.127655 17.0 369.673523 20.0 372.064423 24.0 373.047852 26.0 386.391144 23.0 397.115265 18.0 412.229584 18.0 423.121063 20.0 425.595032 20.0 432.096161 18.0 438.249664 19.0 463.652802 18.0 469.055878 19.0 477.65213 20.0 490.119659 18.0 501.020874 18.0 507.774597 18.0 535.854187 21.0 552.975281 24.0 561.732056 24.0 574.26062 17.0 622.770752 18.0 699.624695 17.0 712.231201 21.0 733.21405 19.0 771.248962 29.0 818.371826 18.0 834.40033 55.0 898.287048 17.0 962.482788 21.0 1019.525818 26.0 1039.266235 18.0 1109.208862 21.0 1118.932861 18.0 1180.957764 20.0 1187.994141 42.0 END IONS BEGIN IONS SCANS=216 PEPMASS=468.11039 CHARGE=-1 COLLISION_ENERGY=0.0 61.930809 42.0 61.987804 1505.0 62.993141 64.0 63.994507 27.0 66.251442 40.0 66.966614 25.0 107.208092 46.0 107.888008 25.0 111.020439 82.0 137.089264 24.0 146.961441 42.0 147.104736 25.0 152.027008 20.0 170.068039 19.0 172.540115 20.0 175.84079 22.0 184.275513 40.0 194.911346 22.0 206.020477 28.0 215.994095 39.0 220.49231 20.0 241.891464 19.0 243.873886 20.0 248.979446 20.0 252.922394 26.0 255.901993 32.0 261.098633 21.0 268.055573 19.0 273.686707 20.0 293.17981 21.0 306.990814 19.0 308.997772 22.0 340.235626 18.0 343.112061 27.0 346.882904 18.0 349.164886 18.0 369.998077 18.0 395.813568 18.0 404.455261 33.0 405.121216 65.0 406.115875 19.0 408.437164 27.0 412.747986 17.0 432.081299 23.0 495.677338 40.0 504.589233 18.0 511.123047 25.0 511.369049 18.0 518.980103 18.0 530.249634 20.0 542.408875 26.0 551.179993 24.0 565.048401 18.0 566.253662 18.0 583.770325 20.0 651.497375 30.0 677.521912 19.0 678.523804 20.0 726.765015 18.0 763.219543 17.0 787.918762 18.0 795.404419 24.0 865.931824 18.0 894.997009 33.0 950.216309 25.0 1046.9646 23.0 1052.393433 20.0 1088.86853 28.0 1161.523926 18.0 1170.580933 20.0 1170.772705 31.0 END IONS BEGIN IONS SCANS=217 PEPMASS=432.09895 CHARGE=0 COLLISION_ENERGY=0.0 60.755859 22.0 61.987782 1969.762817 63.988579 22.0 67.173416 24.0 80.884544 22.0 93.904938 22.0 106.381332 20.0 114.76342 29.0 117.47258 20.0 128.188492 20.0 146.967224 84.0 148.232773 22.0 160.558899 26.0 161.041656 40.0 162.932083 35.0 166.418137 40.0 168.990082 31.999998 172.957489 30.0 207.052109 23.0 211.706726 22.0 211.954193 24.0 218.955032 27.0 223.054581 34.0 246.733856 23.0 250.064209 24.0 263.400787 24.0 267.30069 24.0 268.702332 23.0 276.281525 22.0 287.079956 48.0 305.001404 23.0 311.947449 25.0 317.585907 20.0 325.304108 20.0 330.834412 24.0 342.728149 26.0 367.134125 17.0 370.133545 18.0 378.256378 18.0 403.74826 17.0 454.647125 20.0 471.398315 18.0 538.474487 17.0 572.430176 17.0 670.529724 24.0 730.407104 22.0 870.886047 18.0 957.863464 17.0 1050.854614 17.0 1059.888184 23.0 1060.148315 18.0 1084.055664 44.0 1192.08667 20.0 1194.482422 18.0 END IONS BEGIN IONS SCANS=218 PEPMASS=181.07138 CHARGE=-1 COLLISION_ENERGY=0.0 59.013206 1746.0 71.01342 5010.324707 73.02832 1430.0 83.013222 503.0 85.02919 991.0 89.024025 3435.0 101.02372 3662.50415 102.027428 278.0 113.023499 534.0 115.041016 400.93396 119.034454 573.0 131.035339 370.0 161.042923 66.0 205.060867 24.0 209.345642 20.0 211.400375 26.0 227.079071 42.0 234.730255 32.0 240.774887 24.0 254.915649 33.0 264.721283 22.0 266.938721 28.0 270.59201 23.0 278.78241 23.0 284.035706 35.0 301.258087 18.0 308.763092 26.0 323.109772 68.0 350.154846 21.0 356.281982 17.0 357.532288 17.0 376.20401 18.0 377.292023 18.0 388.353973 20.0 411.539307 17.0 488.049072 20.0 729.458008 51.0 982.609802 20.0 1006.16925 18.0 1068.769531 17.0 1105.529175 24.0 1125.500854 18.0 1154.323853 18.0 1167.450928 18.0 1179.60144 20.0 1183.499268 20.0 1186.61792 18.0 END IONS BEGIN IONS SCANS=219 PEPMASS=128.95891 CHARGE=0 COLLISION_ENERGY=0.0 61.857613 54.0 66.165733 48.0 86.460045 49.0 92.660431 44.0 95.163895 54.0 99.663475 43.0 101.264221 37.0 149.114624 94.0 161.340973 34.0 165.232162 65.0 165.497971 28.0 181.225693 58.0 183.621857 34.0 188.515442 27.0 204.814117 29.0 206.598709 30.0 212.886322 41.0 225.190338 28.0 244.049728 47.0 249.006073 27.0 252.265152 42.0 254.463501 33.0 258.062561 28.0 266.817566 52.0 276.68985 24.0 290.134521 24.0 313.873138 20.0 315.229248 20.0 318.795471 74.0 333.303467 32.0 337.244141 22.0 343.574707 20.0 350.225555 56.0 365.870026 18.0 370.754364 20.0 373.07843 51.0 380.817535 19.0 384.812775 20.0 417.656738 20.0 418.462616 26.0 422.727051 19.0 476.570953 24.0 552.682068 24.0 565.311462 32.0 565.644897 24.0 565.740601 18.0 586.842346 44.0 634.380676 19.0 639.268494 20.0 643.432861 20.0 652.115051 53.0 678.800537 23.0 754.925171 27.0 756.956177 18.0 773.639465 21.0 788.588745 20.0 800.644531 35.0 821.407043 17.0 874.623901 18.0 890.616394 19.0 968.582092 38.0 971.601868 18.0 979.049927 20.0 986.952576 18.0 1012.546631 23.0 1037.282837 20.0 1094.53772 49.0 1095.506714 20.0 1103.180908 27.0 1114.534912 17.0 1136.513672 18.0 1137.467896 21.0 1139.496094 20.0 1142.505005 17.0 1168.832642 29.0 1183.461426 20.0 1188.99353 19.0 END IONS BEGIN IONS SCANS=220 PEPMASS=296.88145 CHARGE=-1 COLLISION_ENERGY=0.0 61.122295 33.0 68.301514 32.0 74.73481 46.0 81.75235 67.0 83.150002 68.0 85.647873 62.0 111.922829 40.0 112.714439 37.0 128.010941 51.0 128.959335 8016.30957 129.963852 301.0 130.958511 764.0 162.145096 68.0 176.223068 40.0 181.073334 43.0 191.715347 33.0 191.794006 45.0 199.041687 34.0 214.399338 38.0 214.921677 25.0 229.320892 27.0 239.076385 24.0 239.650543 27.0 245.299576 26.0 262.622467 23.0 342.942444 18.0 353.13858 22.0 355.967712 18.0 386.263123 26.0 409.900116 37.0 480.301056 28.0 483.530121 23.0 505.149109 22.0 510.663269 20.0 515.71759 21.0 531.508301 22.0 625.501282 18.0 628.868347 19.0 632.717468 20.0 695.01886 18.0 776.105225 18.0 788.196655 18.0 794.373474 20.0 849.708801 20.0 928.696411 20.0 977.468628 17.0 1011.742371 31.0 1012.547546 17.0 1014.421448 25.0 1032.913208 31.0 1054.546509 17.0 1095.530518 45.0 1137.511108 18.0 1167.966309 18.0 END IONS BEGIN IONS SCANS=221 PEPMASS=380.84315 CHARGE=-1 COLLISION_ENERGY=0.0 72.99128 18.0 99.531052 20.0 118.222855 28.0 128.958893 18186.791016 129.961365 354.0 130.219528 37.0 130.95813 1386.0 139.189377 45.0 167.937592 18.0 192.123688 27.0 197.88652 19.0 212.921631 521.0 214.916504 122.0 215.841309 28.0 215.929153 22.0 226.383377 34.0 229.960815 24.0 275.887451 19.0 296.861389 18.0 296.966766 18.0 297.142609 25.0 297.58429 31.0 305.472595 19.0 321.101837 18.0 332.133606 21.0 335.586151 24.0 345.246979 20.0 350.15976 25.0 357.061188 24.0 421.07666 27.0 440.934174 28.0 585.196899 20.0 612.07489 21.0 746.047424 22.0 769.120667 28.0 880.628967 22.0 899.086365 17.0 1102.223389 20.0 END IONS BEGIN IONS SCANS=222 PEPMASS=181.07127 CHARGE=-1 COLLISION_ENERGY=0.0 59.013611 4533.305664 71.013359 8409.068359 73.029007 1821.370239 83.01368 860.964844 85.029266 2248.0 89.024078 6136.0 101.023956 9381.927734 102.026962 350.0 113.024422 1057.187378 115.040634 304.0 119.034836 1324.70459 131.034897 716.0 161.046875 190.0 206.604385 24.0 211.847809 29.0 213.975739 34.0 215.92395 26.0 225.065002 51.0 261.126251 23.0 269.652893 21.999998 274.578979 25.0 278.803497 22.0 281.709808 22.0 283.202881 31.000002 313.951324 20.0 324.896851 27.0 338.99884 18.0 339.915009 24.0 341.10733 90.0 350.638031 18.0 362.512115 22.0 381.850952 34.0 383.357361 36.0 384.675354 25.0 397.842926 45.0 415.09787 19.0 416.122711 17.0 441.293671 24.0 453.331055 18.0 476.102997 43.0 483.793793 18.0 486.328766 48.0 499.775757 20.0 500.504181 17.0 634.719788 18.0 635.242859 23.0 636.715637 17.0 637.194519 26.0 718.699463 21.0 847.476746 18.0 856.446655 20.0 897.650635 18.0 901.6026 22.0 919.607727 24.0 923.530396 17.0 955.679016 19.0 987.557495 18.0 989.568909 20.0 1003.868408 18.0 1004.554443 39.0 1017.339844 53.0 1036.988403 18.0 1052.775146 23.0 1077.047363 21.0 1084.134155 17.0 1086.704834 24.0 1104.584717 19.0 1105.856201 18.0 1130.760498 21.0 1133.173462 39.0 1135.324707 19.999998 1144.530884 26.0 1157.959717 19.0 1174.728882 21.0 1178.171875 29.0 1183.506104 33.0 1198.483643 18.0 END IONS BEGIN IONS SCANS=223 PEPMASS=101.02382 CHARGE=0 COLLISION_ENERGY=0.0 52.909969 20.0 54.236969 17.0 70.338997 18.0 135.963699 28.0 143.353943 34.0 152.963287 25.0 153.509521 27.0 169.553482 35.0 170.843491 24.0 182.672821 37.0 194.655716 26.0 205.221588 18.0 227.07843 18.0 228.099258 23.0 230.051163 18.0 238.562027 23.0 240.987701 25.0 260.369965 20.0 263.088806 22.0 276.174042 20.0 280.213348 18.0 311.264099 20.0 316.127228 27.0 320.427002 34.0 321.693787 38.0 338.493408 21.0 353.013458 22.0 376.271057 28.0 438.649658 20.0 444.10791 18.0 484.341675 22.0 END IONS BEGIN IONS SCANS=224 PEPMASS=163.06056 CHARGE=0 COLLISION_ENERGY=0.0 52.502758 45.0 55.054287 39.0 59.01366 40.0 63.736389 42.0 65.850876 70.0 67.338013 49.0 120.438919 42.0 125.712776 36.0 128.959122 62.0 130.716858 33.0 138.052063 31.0 200.397675 27.0 219.142944 30.0 227.075562 38.0 241.681564 30.0 241.769608 32.0 246.262421 36.0 252.450302 25.0 253.502975 23.0 253.60907 22.0 257.808044 23.0 262.075073 25.0 280.233093 22.0 314.595581 25.0 326.801514 36.0 330.267548 23.0 334.98822 24.0 338.952209 26.0 342.894318 26.0 350.933105 24.0 357.404327 19.0 358.622406 18.0 376.285217 27.0 382.862946 18.0 407.058624 17.0 423.611664 18.0 430.617462 30.0 464.817474 22.0 497.154205 33.0 516.983459 22.0 554.905945 18.0 575.234558 26.0 589.484619 17.0 598.254333 30.0 615.729248 23.0 631.190979 19.0 645.516541 18.0 808.468445 18.0 824.460815 20.0 848.247681 17.0 889.701294 18.0 918.877869 26.0 970.555481 17.0 971.607483 19.0 984.077332 18.0 1010.740906 18.0 1011.067017 20.0 1011.538269 17.0 1036.297363 20.0 1052.517334 24.0 1054.552368 33.0 1061.596069 18.0 1132.495239 19.0 1140.459961 34.0 1144.602905 19.0 1155.156372 17.0 1174.045898 20.0 1174.528442 20.0 1179.453003 25.0 1189.44043 20.0 1194.629761 18.0 END IONS BEGIN IONS SCANS=225 PEPMASS=499.07031 CHARGE=-1 COLLISION_ENERGY=0.0 59.013988 62.0 59.867596 24.0 71.01355 203.0 85.905594 34.0 87.008453 185.0 89.024582 598.0 101.023163 399.0 113.022957 234.0 119.035263 609.0 128.959122 5619.057617 130.957291 451.670502 143.035736 260.0 152.569473 22.0 153.510574 20.0 161.045456 373.0 163.052078 24.0 179.055466 1105.0 180.059586 38.0 202.99025 38.0 212.025589 26.0 215.132706 20.0 217.25 25.0 225.716385 26.0 230.977875 21.0 251.837234 20.0 260.422638 20.0 260.661285 20.0 263.074738 26.0 271.352051 20.0 281.09021 24.0 323.097504 1075.0 324.103882 222.0 325.108673 45.0 341.107819 9272.97168 342.114532 1469.0 343.110352 206.0 351.09079 22.0 354.914612 23.0 369.10437 839.437439 370.106171 97.0 372.114471 31.0 383.521606 24.0 407.155853 42.0 415.108612 2842.0 416.113953 639.0 417.109528 160.0 419.222809 21.0 435.384552 30.0 456.335144 36.0 555.824463 23.0 590.420959 20.0 618.054382 17.0 651.703125 20.0 777.306091 27.0 828.3526 23.0 END IONS BEGIN IONS SCANS=226 PEPMASS=443.1039 CHARGE=-1 COLLISION_ENERGY=0.0 59.012989 316.0 71.013542 634.0 75.007179 113.0 87.007935 405.0 89.024681 1745.0 90.026138 59.0 101.024315 1375.0 113.024315 568.0 119.03437 1305.0 120.03978 138.0 143.034653 452.0 149.043686 246.0 161.045273 677.0 162.047974 41.0 166.240982 22.0 179.055344 2767.947021 180.057205 168.0 182.23291 25.0 229.159058 18.0 236.047424 20.0 247.069397 17.0 249.062958 20.0 266.762665 20.0 269.055634 20.0 281.091492 23.0 288.169556 33.0 323.097626 1958.0 324.102386 306.0 341.107849 11934.0 342.111816 1775.234375 343.115234 400.0 344.119568 102.0 350.273804 25.0 369.105255 606.0 370.099365 18.0 371.087067 44.0 397.102814 44.0 415.118439 91.0 531.133423 34.0 556.332886 24.0 567.091003 18.0 676.156799 18.0 997.526917 20.0 1010.543335 35.0 END IONS BEGIN IONS SCANS=227 PEPMASS=369.10293 CHARGE=-1 COLLISION_ENERGY=0.0 59.012531 109.0 63.57703 31.0 71.012596 123.0 87.006874 60.0 89.024704 426.0 90.025047 39.0 101.023544 327.0 113.024452 95.0 119.034691 235.609085 128.961258 42.0 136.906097 54.0 143.035049 61.0 150.973389 21.0 161.046066 92.0 163.90715 40.0 179.054581 315.0 189.042999 29.0 192.027176 23.0 224.559784 24.0 232.299179 22.0 236.157333 21.0 239.036758 33.0 244.833252 21.0 249.638657 20.0 250.550186 21.0 252.178146 20.0 256.113342 25.0 271.384949 23.0 283.321014 25.0 287.905914 22.0 313.874634 39.0 323.097809 259.0 338.581451 35.0 341.107666 666.0 342.106049 37.0 343.106934 35.0 415.106079 189.0 416.119934 60.0 427.385895 30.0 440.844879 42.0 443.110046 80.0 444.111053 41.0 453.752167 24.0 455.931671 32.0 457.109375 25.0 471.079315 20.0 484.161499 40.0 487.455261 20.0 502.056061 19.0 525.712769 18.0 532.247864 20.0 581.774658 29.0 583.03656 22.0 585.032288 17.0 588.141479 18.0 604.995483 19.0 610.46698 18.0 640.2901 23.0 683.237183 44.0 711.22168 18.0 751.944214 18.0 785.21698 36.0 786.209167 22.0 795.166016 21.0 809.038574 18.0 824.179016 18.0 834.926208 20.0 883.290222 51.0 887.999695 18.0 907.130676 20.0 931.804626 19.0 935.077515 28.0 937.12738 18.0 954.138855 18.0 961.184753 26.0 989.200562 47.0 992.080627 17.0 993.972717 25.0 1002.108032 32.0 1005.109253 24.0 1027.224731 26.0 1038.116699 18.0 1084.947144 20.0 1102.550537 22.0 1104.982666 18.0 1109.366455 21.0 1138.109009 17.0 1144.664795 18.0 1147.005859 17.0 1159.663208 18.0 1178.035156 18.0 1190.501831 22.0 END IONS BEGIN IONS SCANS=228 PEPMASS=341.10793 CHARGE=-1 COLLISION_ENERGY=0.0 55.020302 51.0 59.013306 930.0 71.013336 887.0 85.029526 70.0 87.009094 61.0 89.024086 1510.637573 101.023491 1087.757812 113.025024 804.436584 119.033798 987.0 131.038559 214.0 143.034927 125.0 149.046783 122.0 158.227585 27.0 161.043884 264.0 170.302277 29.0 174.182129 35.0 179.057358 1016.0 180.05896 117.146469 209.985535 49.0 213.06929 22.0 230.818893 22.0 232.510468 25.0 234.188873 28.0 239.077179 21.0 254.6689 24.0 263.520477 23.0 275.015778 24.0 277.363922 33.0 296.767059 26.0 297.301117 23.0 317.439056 27.0 366.556091 18.0 375.681671 31.0 394.813629 20.0 398.586823 20.0 415.09671 75.91156 419.15802 17.0 432.091614 19.0 434.004364 27.0 441.802917 24.0 443.100403 18.0 456.120667 21.0 465.009216 18.0 475.130005 20.0 484.123657 26.0 519.164124 18.0 527.075928 18.0 528.090759 18.0 536.392334 23.0 566.67804 20.0 571.213562 24.0 584.526001 20.0 637.651489 20.0 709.500183 28.0 863.277832 18.0 864.788879 18.0 1100.035645 20.0 1101.054443 18.0 1105.053223 20.0 1134.421509 20.0 1135.25647 19.0 1154.135986 34.0 1186.127563 20.0 1189.696045 23.0 1191.140869 26.0 END IONS BEGIN IONS SCANS=229 PEPMASS=415.1088 CHARGE=-1 COLLISION_ENERGY=0.0 59.013275 11300.006836 71.013222 13974.029297 85.029251 1298.0 87.008293 7774.895508 89.023735 34592.957031 90.026863 1625.293335 101.023849 31206.361328 113.024055 15389.84375 119.034241 28400.603516 131.034927 4585.0 143.034531 9738.458984 149.045563 4226.0 161.04509 12986.0 162.048874 1058.0 179.055389 45299.90625 179.115005 439.433838 180.059677 4116.751465 181.060303 800.0 204.637222 61.0 219.024597 44.0 221.064438 94.0 230.432434 63.0 239.076172 177.0 249.063446 221.0 251.086899 64.0 263.077667 43.0 264.07785 49.0 281.085175 419.0 282.084778 83.0 282.59082 51.0 323.097626 28028.716797 324.101257 4803.376465 341.108215 185518.953125 341.192993 10903.0 342.112152 29531.585938 343.11319 8426.359375 351.022705 45.0 369.032562 37.0 369.103271 5192.933105 370.108185 646.189514 371.105347 130.0 387.122864 29.0 458.578735 20.0 461.11145 17.0 472.037781 21.0 476.135742 22.0 479.650818 21.0 488.070496 18.0 503.721619 20.0 521.475342 18.0 552.721741 20.0 562.249817 28.0 562.870483 18.0 576.319641 21.0 576.564697 27.0 579.018738 22.0 611.034668 22.0 630.334412 33.0 640.388733 35.0 650.82196 18.0 671.956848 24.0 675.776855 17.0 686.356995 18.0 688.735352 22.0 717.836853 18.0 744.962952 47.0 750.964478 21.0 759.51593 21.0 759.918823 31.0 761.443115 20.000002 766.152832 20.0 777.195862 23.0 803.166138 29.0 843.043152 22.0 843.348145 38.0 844.485901 32.0 844.991699 38.576454 845.516296 26.0 853.867432 26.0 869.336731 25.0 890.592957 22.0 897.124817 17.0 903.493347 32.0 918.103455 19.0 942.537476 25.0 1013.597717 24.0 1107.170654 20.0 1167.506592 18.0 END IONS BEGIN IONS SCANS=230 PEPMASS=459.1342 CHARGE=0 COLLISION_ENERGY=0.0 61.987427 306.0 71.012489 41.0 87.008667 502.0 88.011581 197.0 89.023926 3500.999268 90.027 105.0 101.027084 32.0 105.052361 24.0 115.952072 21.0 117.017387 21.0 119.035355 55.0 129.380859 19.0 153.596588 24.0 161.040451 19.0 166.50795 18.0 170.505493 20.0 179.054565 67.0 185.325027 23.0 202.961609 18.0 213.703384 21.0 221.059875 29.0 229.963348 24.0 234.42186 20.0 234.439026 20.0 250.3806 18.0 255.076233 22.0 274.305054 19.0 279.107727 18.0 303.891083 18.0 340.516449 33.0 341.107697 396.0 350.140808 22.0 350.910278 20.0 353.420563 23.0 357.781036 22.0 377.086487 18.0 413.167969 25.0 417.910522 19.0 541.607849 19.0 566.903625 21.0 567.718567 18.0 658.262024 18.0 1001.92041 18.0 1155.91687 20.0 END IONS BEGIN IONS SCANS=231 PEPMASS=460.094 CHARGE=0 COLLISION_ENERGY=0.0 61.988239 948.0 87.008728 217.0 88.009949 36.0 89.023712 3390.544922 90.02652 208.0 92.110123 37.0 113.018791 18.0 119.034241 47.0 131.032974 20.0 161.044342 20.0 179.056 18.0 224.798019 19.0 232.211121 18.0 237.177673 29.0 266.213196 24.0 273.277252 18.0 283.228851 18.0 323.10437 18.0 332.959869 31.0 340.227997 20.0 341.110199 248.0 391.533752 25.0 419.683105 19.0 421.255829 21.0 534.218262 17.0 613.808716 37.0 891.391602 20.0 1058.806641 29.0 END IONS BEGIN IONS SCANS=232 PEPMASS=457.11938 CHARGE=-1 COLLISION_ENERGY=0.0 61.987919 822.0 87.008163 6560.97168 88.01226 225.0 89.02404 4256.816895 89.759697 48.0 90.028236 137.0 101.023575 41.0 115.649422 19.0 143.120804 18.0 143.557724 20.0 158.13591 18.0 160.107452 34.0 179.049164 18.0 179.062195 20.243073 180.059769 25.0 182.113388 20.0 211.935928 18.0 229.32753 19.0 250.300919 26.0 267.358154 21.0 272.7901 24.0 299.456329 18.0 323.107849 80.0 339.710022 20.0 341.109802 451.0 342.108673 18.0 343.123627 18.0 344.498108 19.0 369.099762 21.0 847.291992 68.0 937.398987 20.0 END IONS BEGIN IONS SCANS=233 PEPMASS=432.09907 CHARGE=-1 COLLISION_ENERGY=0.0 61.12215 38.0 61.98769 14870.623047 62.98822 99.0 63.531517 69.0 63.992085 111.0 93.652466 40.0 101.025505 22.0 111.685783 26.0 113.793098 22.0 117.811058 23.0 120.833252 52.0 123.299393 23.0 155.706314 25.0 170.748962 26.0 181.140305 32.0 181.466461 28.0 191.028458 30.0 198.213226 27.0 202.098129 21.0 209.15033 36.0 210.15097 25.0 245.413574 30.0 248.073273 41.0 249.840057 33.0 253.043045 23.0 264.057739 40.0 268.320709 22.0 271.409302 27.0 289.249603 25.0 296.190277 28.0 311.474548 20.0 313.877014 67.0 327.013458 23.0 333.500671 27.0 341.110291 213.0 342.113068 42.0 352.227112 17.0 377.480347 23.0 383.489777 20.0 390.384674 18.0 392.416473 20.0 393.157654 18.0 453.76416 17.0 454.112915 20.0 459.145813 22.0 460.083466 18.0 464.824036 26.999998 471.071259 41.0 520.514587 18.0 521.385742 26.0 552.967834 19.0 554.097534 20.0 600.029907 23.0 607.733765 18.0 609.996521 20.0 614.063599 32.0 615.47821 26.999998 622.641235 19.0 655.615723 17.0 667.731445 17.0 767.20813 18.0 775.184814 18.0 775.677307 23.0 785.220703 17.0 795.052063 22.0 802.230225 23.0 823.17157 18.0 883.314209 17.0 963.232117 18.0 1016.849609 18.0 1038.014038 17.0 1039.10498 18.0 1044.988159 25.000002 1049.394165 38.0 1051.501953 24.0 1065.27417 34.0 1110.181641 23.0 1120.635498 17.0 1121.06897 18.0 1130.165894 26.0 1137.172119 22.0 1139.573486 19.0 1150.154907 25.0 1167.779175 25.0 1194.734131 27.0 END IONS BEGIN IONS SCANS=234 PEPMASS=166.0172 CHARGE=0 COLLISION_ENERGY=0.0 63.145035 51.0 79.956627 1980.904907 80.962296 393.0 81.951683 43.0 81.965263 41.782406 82.964668 39.52412 100.040909 245.0 101.414871 34.0 102.055115 256.0 106.980782 736.0 110.854057 31.0 124.005661 282.0 201.03157 28.0 201.708725 20.0 227.08226 17.0 235.363892 19.0 245.939926 19.0 377.013245 21.0 423.912231 21.0 567.845947 20.0 END IONS BEGIN IONS SCANS=235 PEPMASS=432.09898 CHARGE=-1 COLLISION_ENERGY=0.0 55.488762 36.0 61.987499 3574.085449 63.651154 31.0 63.993492 75.0 79.77179 33.0 81.521194 28.0 104.920067 26.0 114.010338 24.0 117.032578 29.0 119.515076 22.0 136.408035 24.0 146.96492 56.0 162.6828 26.0 162.912018 25.0 162.934479 58.0 169.002151 25.0 182.568283 45.0 195.583252 28.0 207.922836 36.0 214.003235 26.0 217.991455 23.0 223.873184 22.0 238.991013 35.0 243.023834 28.0 251.793488 47.0 257.122864 27.0 263.061951 22.0 265.718079 22.0 277.642975 27.0 292.815155 23.0 301.019501 18.0 325.693359 19.0 328.03952 20.0 329.565186 18.0 340.748901 28.0 347.769836 20.0 356.789398 18.0 364.116272 33.0 372.044342 22.0 379.031433 55.0 385.029572 21.0 397.832672 19.0 403.328552 29.0 452.931671 18.0 453.778961 18.0 470.792206 18.0 486.825592 18.0 487.130829 20.0 512.23761 20.0 518.954956 17.0 522.55365 25.0 524.326294 32.0 532.381042 33.0 592.352478 18.0 643.66626 17.0 651.749634 19.0 663.019165 18.0 709.738831 25.0 714.517822 24.0 770.413879 18.0 809.512512 18.0 811.428162 20.0 904.923645 20.0 950.54126 29.0 984.906006 31.0 987.82074 18.0 989.671204 21.0 1010.154663 40.0 1034.453613 18.0 1042.83374 18.0 1067.605957 20.0 1077.565796 27.0 1098.939697 26.000002 1136.991089 20.0 1141.284668 23.0 1173.411377 37.0 1178.425659 17.0 END IONS BEGIN IONS SCANS=236 PEPMASS=415.10868 CHARGE=0 COLLISION_ENERGY=0.0 59.013477 429.0 71.014534 417.0 74.137108 47.0 87.006706 81.0 89.023605 1672.188599 90.028236 138.0 101.0242 1316.560181 113.024666 623.0 119.035027 1728.934692 131.033829 164.0 143.035217 227.0 149.04335 219.0 150.048233 44.0 157.99028 40.0 161.047134 526.0 166.052734 59.0 179.055695 2424.079102 180.061127 189.939636 211.535706 53.0 222.069839 30.0 234.703598 29.0 236.003067 43.0 236.057907 50.0 244.009598 47.0 256.809021 31.0 263.06073 22.0 274.900146 32.0 281.058868 23.0 283.92041 30.0 299.008972 31.0 323.098572 89.0 332.697449 70.0 341.109283 8948.986328 342.112396 1417.0 343.113556 380.0 344.117706 41.0 350.417267 21.0 358.08847 28.0 361.39624 22.0 370.99707 21.0 372.251526 23.0 450.706055 20.0 463.065857 17.0 476.327789 26.0 476.804199 18.0 512.464172 20.0 516.672668 18.0 544.213318 32.0 567.170471 23.0 626.167786 22.0 646.555786 18.0 750.825195 20.0 754.949524 19.0 766.896851 22.0 783.978149 17.0 920.317444 20.0 1000.540649 22.0 END IONS BEGIN IONS SCANS=237 PEPMASS=405.07983 CHARGE=0 COLLISION_ENERGY=0.0 59.012989 34.0 62.03014 37.0 71.015572 41.0 80.914505 22.0 81.019073 22.0 99.09346 27.0 109.040596 22.0 110.104675 29.0 116.928688 22.0 126.066528 22.0 142.335587 25.0 143.033569 38.0 150.914536 43.0 154.955673 30.0 161.045792 39.0 180.128113 23.0 184.390656 23.0 187.974136 41.0 201.861465 24.0 203.928024 23.0 214.988342 26.0 225.08812 24.0 227.116501 23.0 236.882645 25.0 259.756409 37.0 260.88855 23.0 264.83075 29.0 286.637421 30.0 292.911469 21.0 293.904663 29.0 309.095764 21.0 310.918152 33.0 312.339874 21.0 325.188202 39.0 341.108368 235.0 343.139465 45.0 365.115356 20.0 507.283783 21.0 596.963684 19.0 606.647095 18.0 633.391357 20.0 709.312073 44.0 741.506042 18.0 807.070435 27.0 988.437744 30.000002 END IONS BEGIN IONS SCANS=238 PEPMASS=451.02811 CHARGE=-1 COLLISION_ENERGY=0.0 65.595627 38.0 78.921204 106.0 80.916069 667.0 84.008415 186.0 89.021126 35.0 99.890793 36.0 101.023132 41.0 101.3283 26.0 116.211494 33.0 116.924866 44.0 119.038635 81.0 138.712097 30.0 154.062912 26.0 158.427994 35.0 158.862076 24.0 163.016113 28.0 167.87439 38.0 173.057449 31.0 208.071182 18.0 223.779266 18.0 233.147125 18.0 233.671494 17.0 242.054138 18.0 256.18042 20.0 261.97406 21.0 267.874237 21.0 286.798401 22.0 294.54129 38.0 294.995148 21.0 307.889923 29.0 323.919464 32.0 339.908264 33.0 341.113403 230.0 342.099854 29.0 345.865906 42.0 357.45163 17.0 383.016602 23.0 390.611298 33.0 407.09201 27.0 415.108551 46.0 424.027191 20.0 501.611877 18.0 511.18335 26.0 555.488403 31.0 575.611389 23.0 617.635193 22.0 624.715942 20.0 793.656006 35.0 807.970032 17.0 1021.049561 18.0 1041.098999 19.0 1137.947876 24.0 1150.283813 24.0 1156.289062 17.0 1159.961182 74.0 1167.552124 20.0 1181.574219 18.0 1183.329712 22.0 END IONS BEGIN IONS SCANS=239 PEPMASS=382.09961 CHARGE=-1 COLLISION_ENERGY=0.0 50.302788 39.0 54.820164 57.0 62.02206 30.0 71.013069 462.0 74.09166 30.0 77.57589 63.0 115.002632 3223.0 116.007553 134.0 119.033989 60.0 129.56752 45.0 134.046402 11818.824219 135.047577 1231.672363 160.059631 41.0 162.077972 1483.494019 163.080414 190.0 184.795715 38.0 188.054474 256.0 189.060562 78.0 204.862946 33.0 206.067078 10835.844727 207.070984 754.0 208.069595 36.0 232.046921 225.0 233.04689 77.0 250.055481 1301.0 251.060211 182.0 252.060776 36.0 266.08783 1946.951782 267.088409 132.377472 271.815918 42.0 305.94223 33.0 312.106079 24.0 317.639862 24.0 323.09021 23.0 338.105835 35.0 347.512268 25.0 415.118439 27.0 417.987 18.0 432.102448 36.0 437.965332 20.0 444.579681 19.0 450.945007 22.0 451.756531 20.0 469.377197 20.0 487.024292 55.0 501.599487 18.0 507.029694 23.0 536.157532 18.0 585.254883 19.0 625.946106 18.0 628.072876 19.0 660.941284 18.0 785.0979 18.0 925.123047 22.0 1012.526428 17.0 1013.455017 17.0 1048.136108 20.0 1049.995972 20.0 1062.332642 18.0 1099.06958 22.0 1129.990479 33.0 1171.228882 18.0 END IONS BEGIN IONS SCANS=240 PEPMASS=432.09896 CHARGE=-1 COLLISION_ENERGY=0.0 61.987679 6013.57666 62.98621 36.0 63.729832 34.0 63.994389 67.0 66.17057 33.0 83.558189 34.0 108.441711 27.0 113.954803 40.0 116.934967 25.0 130.874619 24.0 140.388931 27.0 145.285065 25.0 155.013275 25.0 155.097 21.0 171.189087 30.0 189.023376 24.0 192.493271 24.0 198.431793 30.0 209.379242 23.0 217.736801 24.0 234.091583 34.0 243.884583 36.0 243.991806 34.0 246.873535 24.0 259.757629 18.0 266.793488 21.0 268.879486 18.0 272.869629 20.0 296.883331 26.0 299.014038 33.0 323.469818 25.0 326.08316 21.0 334.920837 32.0 339.868805 31.999998 344.048553 22.0 344.192505 26.0 352.878601 18.0 368.822174 28.0 370.149902 27.0 373.922791 19.0 375.773529 22.0 387.558014 29.0 405.082123 78.0 406.088165 82.0 477.764069 18.0 505.018616 21.0 505.580353 23.0 517.331848 19.0 537.114868 20.0 553.074341 18.0 582.071289 24.0 615.064819 17.0 639.800415 24.0 653.072571 28.0 668.270203 20.0 678.989075 20.0 686.766846 17.0 735.511597 32.0 775.186951 38.0 791.882935 26.0 883.431763 43.0 918.397705 19.0 920.930359 18.0 929.121094 17.0 954.996765 26.999998 958.131592 18.0 963.477539 24.0 971.62207 24.0 1011.438477 25.0 1018.629272 25.0 1062.843384 33.0 1075.942261 18.0 1078.032593 19.0 1078.2323 20.0 1082.022583 17.0 1090.435547 18.0 1111.120483 22.0 1128.987549 18.0 1137.196533 22.0 1150.000122 18.0 1157.212646 21.0 1171.097168 55.0 1180.531006 18.0 1183.790771 24.0 1193.187988 20.0 END IONS BEGIN IONS SCANS=241 PEPMASS=415.10853 CHARGE=-1 COLLISION_ENERGY=0.0 59.01363 283.0 71.013832 369.0 79.132362 41.0 87.008575 116.0 89.02346 1188.0 90.027664 40.0 101.024132 796.0 113.025833 338.0 119.035088 1050.137939 131.033493 124.0 143.035782 183.0 149.046936 247.0 150.044449 56.0 157.006424 29.0 161.045319 366.0 163.731674 29.0 179.056107 1765.0 180.059891 168.0 201.617722 23.0 208.662567 22.0 212.432327 20.0 215.114746 20.0 236.063034 50.0 247.388214 24.0 257.055389 21.0 258.983765 35.0 274.89859 24.0 279.98468 20.0 281.008942 20.0 291.585144 22.0 311.788422 28.0 323.099731 97.0 341.109406 6059.914062 342.112823 999.0 343.117859 108.068901 344.113922 44.0 361.251617 20.0 369.10733 23.0 371.110016 19.0 373.129059 23.0 383.115723 21.0 387.104584 44.0 443.752899 38.0 492.107422 18.0 502.107635 55.0 529.845459 18.0 543.245483 19.0 586.929565 24.0 621.996948 18.0 623.202759 19.0 745.469849 28.0 844.080322 18.0 846.456482 33.0 898.91571 18.0 952.534912 36.0 979.078064 25.0 985.932739 24.0 989.91095 25.0 1053.103638 38.0 1062.051636 20.0 1077.11853 22.0 1078.542725 25.0 1088.033447 18.0 1127.205811 31.0 1193.734985 29.0 1197.060425 17.0 END IONS BEGIN IONS SCANS=242 PEPMASS=145.01354 CHARGE=0 COLLISION_ENERGY=0.0 57.033466 158.0 73.027763 101.0 84.805511 55.0 85.029099 354.0 88.504791 55.0 99.925339 100.0 100.932014 475.125397 101.023781 1851.142578 103.038147 279.0 177.842758 34.0 178.78447 30.0 184.602417 28.0 196.599197 24.0 200.180634 24.0 203.193817 22.0 205.089874 22.0 225.639648 21.0 233.117859 26.0 234.607666 32.0 250.53714 18.0 255.964813 22.0 256.378906 18.0 285.064148 20.999998 286.001801 26.0 297.082703 25.0 311.4375 21.0 335.266571 31.0 335.865601 25.0 340.804932 22.0 342.123291 28.0 347.070251 20.0 376.774994 18.0 379.257538 17.0 396.020538 20.0 405.893555 19.0 407.085785 26.0 407.253845 22.0 422.779602 18.0 453.969238 21.0 469.930939 18.0 496.111267 18.0 518.825439 19.0 551.152283 18.0 553.089294 26.0 601.952209 25.0 710.761475 19.0 719.734863 17.0 736.161316 18.0 769.792419 17.0 812.918762 32.0 823.27356 18.0 859.766235 19.0 864.830933 29.0 878.039001 19.0 899.405273 18.0 900.793762 35.0 914.970459 21.0 932.918335 22.0 935.815247 23.0 946.73291 27.0 968.430542 26.0 986.943054 18.0 999.219238 22.0 1016.243408 18.0 1021.857483 23.0 1040.396729 31.0 1043.95105 22.0 1056.739746 18.0 1072.255981 18.0 1081.77356 21.0 1094.716187 18.0 1098.922852 20.0 1117.794312 27.0 1127.45813 21.0 1133.324829 18.0 1138.184204 30.999998 1143.840454 23.0 1148.8927 18.0 1150.073364 37.0 1157.365601 38.0 1159.910767 18.0 1164.805176 18.0 1171.462769 21.0 1173.337646 20.0 END IONS BEGIN IONS SCANS=243 PEPMASS=515.12484 CHARGE=0 COLLISION_ENERGY=0.0 50.836136 23.0 57.034172 78.0 59.346989 20.0 95.084061 21.0 98.160507 22.0 99.831146 22.0 101.023849 1791.0 102.027016 114.0 144.925659 93.432388 145.014282 7642.26416 146.016876 412.0 147.029007 612.25293 159.9366 20.0 162.977951 18.0 164.066193 24.0 190.896042 18.0 200.936462 18.0 212.893097 19.0 259.931641 28.0 261.016174 18.0 266.116638 17.0 310.157837 21.0 311.924591 19.0 312.752045 23.0 337.911652 29.0 344.22406 21.0 348.942657 22.0 351.004364 18.0 352.07077 21.0 368.757507 26.0 375.536133 20.0 377.089813 28.0 377.782104 22.0 425.98053 18.0 435.146118 18.0 456.13092 23.0 466.999603 35.0 468.028168 18.0 471.038727 17.0 474.107941 17.0 570.636047 20.0 572.310852 20.0 641.990845 23.0 791.732422 18.0 803.729675 18.0 861.846191 20.0 984.5849 18.0 END IONS BEGIN IONS SCANS=244 PEPMASS=405.07963 CHARGE=-1 COLLISION_ENERGY=0.0 53.108467 38.0 57.648895 34.0 63.416328 30.0 66.690727 28.0 89.029076 27.0 98.756721 80.0 103.558907 33.0 111.040581 25.0 124.994064 26.0 125.305412 38.0 129.934372 26.0 145.011276 36.0 155.391846 30.000002 156.986084 27.0 168.954987 46.0 180.983536 26.0 183.979782 42.0 189.106522 31.0 210.960602 25.0 214.749817 49.0 228.779373 37.0 231.927704 35.0 235.818497 26.0 240.887299 24.0 261.980591 21.0 266.151398 20.0 274.899841 44.0 283.589874 29.0 286.901001 27.0 292.901917 35.0 302.016785 30.0 303.879059 38.0 304.528809 23.0 330.917816 29.0 341.108643 38.0 342.117126 36.0 363.082672 22.0 367.108734 34.0 369.104248 18.0 372.789612 31.0 373.175415 27.0 384.38089 18.0 432.099243 57.0 452.024261 18.0 481.901093 20.0 487.8078 18.0 515.115356 18.0 516.05603 20.0 522.205566 22.0 542.984863 18.0 556.258423 20.0 566.999451 44.0 568.04364 25.0 595.256653 18.0 597.835693 18.0 632.879883 18.0 645.987549 20.0 701.890564 34.0 755.956116 20.0 827.013062 20.0 858.448181 20.0 862.410767 23.0 872.952026 22.0 882.258667 17.0 897.475342 17.0 913.585022 20.0 924.957642 17.0 942.061951 20.0 943.697266 20.0 952.518799 18.0 969.395325 17.0 976.038696 22.0 980.307495 18.0 1007.084045 20.0 1050.078735 18.0 1051.830688 19.0 1052.484253 24.0 1055.994629 22.0 1063.007568 23.0 1095.501099 27.000002 1111.543213 22.0 1115.786499 22.0 1124.017456 22.0 1138.240723 36.0 1139.92688 18.0 1143.890625 17.0 1162.144165 20.0 1164.454712 22.0 1166.351562 25.0 1181.455688 20.0 1183.481445 26.999998 1192.160522 25.0 END IONS BEGIN IONS SCANS=245 PEPMASS=424.03098 CHARGE=-1 COLLISION_ENERGY=0.0 65.24427 34.0 71.01651 38.0 79.678398 30.0 86.846352 28.0 99.047417 31.0 99.925407 37.0 111.961136 91.0 125.941635 310.114075 137.941833 107.0 139.957977 145.0 141.933517 78.621643 143.952652 129.0 167.951828 6281.639648 168.953323 1127.558472 183.948425 355.992432 195.94693 764.0 196.947266 177.94342 197.957321 305.022949 227.971008 259.667206 243.966019 403.0 244.97702 541.1698 245.98262 3451.0 246.98262 363.0 247.984863 261.0 274.985107 261.0 275.993439 142.0 285.977173 330.0 287.993378 1587.0 288.995209 205.0 289.996429 114.0 301.970734 71.0 303.989471 1151.0 304.994415 285.312134 305.991455 48.0 313.977478 64.0 316.988678 57.0 359.122742 20.0 363.997864 21.0 367.891052 17.0 381.110748 18.0 381.358002 20.0 389.95929 22.0 484.006622 18.0 495.2388 23.0 539.173767 25.0 610.279846 25.0 612.689148 29.0 617.695251 20.0 626.908081 18.0 663.647949 25.0 688.745605 22.0 691.224548 23.0 714.922729 26.0 726.443604 33.0 777.901611 36.0 804.662048 19.0 820.391541 18.0 823.933716 21.0 828.277832 18.0 849.111389 23.0 856.363647 18.0 877.391296 17.0 908.958923 20.0 920.607117 18.0 945.929932 27.0 946.952881 18.0 954.861877 31.0 962.290039 18.0 973.842651 23.0 973.917297 17.0 995.562683 18.0 997.83667 22.0 1014.096558 19.0 1016.470703 18.0 1019.87616 22.0 1026.817505 18.0 1042.852295 18.0 1054.88916 21.0 1056.425049 24.0 1061.875488 24.0 1062.720703 22.0 1064.955566 18.0 1070.992188 25.0 1111.306519 23.0 1123.511719 46.0 1153.44458 23.0 1154.677612 25.0 1160.256714 20.0 1162.682251 23.0 1173.948242 18.0 END IONS BEGIN IONS SCANS=246 PEPMASS=367.10479 CHARGE=-1 COLLISION_ENERGY=0.0 71.012474 205.0 84.013496 70.0 85.009651 307.0 85.030891 170.0 89.024071 124.0 95.015045 102.0 113.024582 1178.720093 115.017235 161.094009 125.024315 218.0 127.021362 312.434937 145.032227 440.0 145.098053 838.0 156.035416 147.0 157.031647 693.0 169.032455 372.586029 187.041748 937.072021 187.108551 8430.0 188.112213 884.0 205.052032 368.0 216.053955 56.0 217.052475 490.0 238.965042 74.0 246.064301 85.656624 247.063461 506.96698 259.036713 29.0 269.814453 22.0 271.061432 23.0 276.080078 88.0 277.073242 303.0 278.085541 48.0 306.08844 146.0 307.086426 611.0 308.093201 81.0 309.58844 20.0 333.773529 20.0 336.089966 24.0 519.286743 20.0 738.491272 18.0 1061.862427 18.0 END IONS BEGIN IONS SCANS=247 PEPMASS=412.03072 CHARGE=0 COLLISION_ENERGY=0.0 59.864796 27.0 70.76355 27.0 71.017136 42.0 78.093475 88.0 86.099854 28.0 89.021294 41.0 101.025192 41.0 113.940514 209.33699 119.034477 48.0 141.936035 743.253723 143.952133 97.0 145.017166 55.0 167.95343 41.0 171.946625 11197.413086 172.949905 793.0 173.949722 260.874054 197.524796 44.0 197.934357 53.0 201.958099 74.0 223.017517 45.0 231.011108 71.0 231.968033 1679.0 232.973389 134.0 233.972427 37.0 283.995209 56.0 291.990997 1097.674438 292.053253 33.0 292.997498 79.0 293.991028 39.0 296.912994 27.0 307.853882 21.0 322.943115 28.0 323.104828 25.0 340.129852 23.0 341.109039 131.0 346.919739 23.0 352.012787 37.0 367.108063 40.0 367.202148 45.0 384.079285 20.0 594.50824 28.0 686.089783 18.0 763.560974 22.0 813.971375 24.0 870.984253 20.0 968.84491 45.0 975.056702 18.0 975.117493 17.0 981.429749 18.0 996.228088 19.0 1006.140381 23.0 1031.491577 22.0 1038.183105 17.0 1064.93103 20.0 1079.245483 26.0 1125.423096 49.0 1129.867798 18.0 1133.333618 27.0 1136.249512 23.0 1141.235962 24.0 1147.918457 28.0 1158.063599 22.0 1162.852905 17.0 1171.397339 18.0 1178.713135 18.0 1191.666016 21.0 1199.025391 17.0 END IONS BEGIN IONS SCANS=248 PEPMASS=176.05601 CHARGE=0 COLLISION_ENERGY=0.0 59.01458 200.0 72.045532 289.0 74.023956 2063.0 84.044777 800.0 89.024765 236.523727 96.044014 209.0 100.038559 195.0 104.0345 983.413208 116.035515 1349.0 117.037895 173.0 128.0354 349.0 146.045593 1211.0 224.042801 20.0 228.277557 27.0 436.652435 20.0 END IONS BEGIN IONS SCANS=249 PEPMASS=101.02411 CHARGE=0 COLLISION_ENERGY=0.0 68.754875 26.0 70.905914 26.999998 76.180367 27.0 78.591537 34.0 123.837013 26.0 130.77095 25.0 145.021255 37.0 150.733749 19.0 165.791519 18.0 175.300217 25.0 177.371307 19.0 188.812103 24.0 198.031525 20.0 202.388412 28.0 203.307266 27.0 211.460434 18.0 212.134171 23.0 220.80426 21.0 222.18187 21.0 250.867004 43.0 257.186737 18.0 259.128052 26.0 267.621857 21.0 283.508301 28.0 292.236206 33.0 301.176483 22.0 312.746185 19.0 331.810364 18.0 340.460022 34.0 373.0242 18.0 395.099426 18.0 423.288818 18.0 425.035339 20.0 472.954987 20.0 481.557495 21.0 804.856689 19.0 825.946045 22.0 865.498352 34.0 920.771484 18.0 933.159668 18.0 963.413879 32.0 998.286255 21.0 1048.394409 17.0 1074.140015 17.0 1088.432739 25.0 1098.129272 20.0 1115.775024 17.0 1150.467285 24.0 1161.955811 18.0 1169.435425 18.0 1174.857178 18.0 END IONS BEGIN IONS SCANS=250 PEPMASS=187.10837 CHARGE=-1 COLLISION_ENERGY=0.0 58.027451 38.0 85.026733 48.693295 97.076134 172.0 98.057961 35.0 99.008087 90.0 99.093201 54.0 111.006096 97.0 128.070023 129.0 139.091339 95.0 143.120728 283.0 145.097717 2978.0 146.100754 360.0 280.214935 20.0 369.108032 20.0 END IONS BEGIN IONS SCANS=251 PEPMASS=405.10225 CHARGE=0 COLLISION_ENERGY=0.0 59.013702 129.0 69.03186 100.0 71.012634 153.0 89.02372 149.0 93.034081 332.0 97.02874 126.0 101.023148 332.0 113.023926 255.0 119.050331 334.2034 137.024628 438.0 137.05748 262.0 141.02179 162.0 155.032791 124.0 163.04039 208.479416 167.95192 173.0 181.049316 823.0 182.052795 153.0 199.059326 410.0 200.063324 79.0 207.032181 64.0 225.04184 61.0 227.051498 38.658173 227.068253 63.341824 227.101868 115.0 276.106995 25.0 277.110626 29.0 282.868195 26.0 285.054932 28.0 291.076965 25.0 299.072327 29.0 302.100952 20.0 302.898163 28.0 315.101929 18.0 326.109314 24.0 335.922913 18.0 343.103516 276.0 361.113281 407.0 375.13974 22.0 379.18045 29.0 384.243561 20.0 554.091858 17.0 856.639038 18.0 1140.416992 18.0 END IONS BEGIN IONS SCANS=252 PEPMASS=129.01861 CHARGE=0 COLLISION_ENERGY=0.0 72.992867 19.0 74.244026 23.0 76.964966 29.0 80.539536 18.0 85.027901 35.0 94.992554 18.0 101.026047 38.0 102.016151 27.0 186.540695 18.0 191.682144 20.0 192.441711 26.0 195.127823 20.0 195.465515 17.0 203.781693 25.0 217.682007 25.0 235.241943 20.0 241.57988 18.0 256.03537 48.0 269.516632 18.0 285.782806 25.0 324.223846 18.0 335.922943 18.0 358.434814 22.0 365.964081 22.0 372.830963 18.0 386.307831 18.0 399.611725 32.0 468.191925 18.0 575.160156 17.0 END IONS BEGIN IONS SCANS=253 PEPMASS=147.02945 CHARGE=0 COLLISION_ENERGY=0.0 55.661396 48.0 57.032288 205.0 75.008125 47.0 85.028008 878.0 86.031616 56.0 87.007759 60.0 101.024406 1211.0 103.039536 607.0 171.446426 31.0 173.197601 37.0 187.11554 66.0 196.645462 27.0 220.143906 34.0 244.586884 25.0 245.229294 23.0 261.071777 18.0 282.609253 21.0 309.351654 18.0 345.720673 17.0 351.483734 19.0 359.119446 22.0 367.109039 39.0 416.007477 18.0 425.119934 18.0 466.781189 22.0 578.986816 18.0 929.918945 18.0 949.045471 23.0 968.940491 23.0 1030.835938 38.0 1096.0177 20.0 1103.936157 22.0 1130.358643 20.0 1145.989624 30.0 1171.530762 38.0 1183.650513 18.0 1192.966064 20.0 END IONS BEGIN IONS SCANS=254 PEPMASS=305.01722 CHARGE=-1 COLLISION_ENERGY=0.0 51.885738 52.0 68.786697 46.0 78.958427 73.0 81.043976 102.0 85.496819 36.0 99.924446 59.0 111.019684 77097.0 111.067863 1966.145874 112.022713 5466.513184 113.022713 501.0 125.033684 215.0 128.035309 130.0 150.911926 30.0 152.772781 27.0 160.974945 38.0 166.051682 39.0 172.42601 43.0 192.988586 266.53949 202.906418 31.0 203.034683 25.0 214.929504 109.0 216.047699 34.0 243.96933 36.0 248.662857 25.0 260.935669 38.0 261.54718 45.0 261.979706 103.0 273.092773 26.000002 353.200867 20.0 355.12973 22.0 360.169525 18.0 394.920288 20.0 400.917389 17.0 401.109528 24.0 402.976593 18.0 424.036316 72.0 435.088257 18.0 485.069885 17.0 487.888763 28.0 513.195496 26.0 529.129883 17.0 543.855835 18.0 559.311707 25.0 573.468628 25.0 586.217285 17.0 641.256409 20.0 649.011536 20.0 651.295532 17.0 659.349731 18.0 659.513916 27.0 661.136902 18.0 675.139038 21.0 723.025574 20.0 798.89209 17.0 845.884155 19.0 851.479553 21.0 896.963196 18.0 917.89032 22.0 922.869873 24.0 927.862488 18.0 979.731079 18.0 997.16449 24.0 999.412231 18.0 999.491699 24.0 1007.629333 24.0 1017.265381 18.0 1054.924561 26.0 1059.364502 28.0 1060.889771 24.0 1064.864136 29.0 1068.651978 21.0 1099.928833 22.0 1104.109497 20.0 1109.92688 21.0 1119.416626 37.0 1124.266479 20.0 1148.034424 19.0 1157.265015 17.0 1168.260254 44.0 1174.601685 20.0 1176.526733 22.0 1178.843872 18.0 1194.914429 18.0 END IONS BEGIN IONS SCANS=255 PEPMASS=111.01947 CHARGE=-1 COLLISION_ENERGY=0.0 57.147041 31.0 68.992798 41.0 76.021477 51.0 78.999046 41.0 85.027115 41.0 148.749832 22.0 153.762436 22.0 163.785126 21.0 177.430664 24.0 186.132996 34.0 196.047913 31.0 199.836807 24.0 213.75148 28.0 216.03595 23.0 219.992798 29.0 223.493271 24.0 230.684433 32.0 249.705811 36.0 261.745148 18.0 262.369354 21.0 263.67392 25.0 263.894684 25.0 285.850494 25.0 297.147522 22.0 305.031799 18.0 306.015228 20.0 315.166168 23.0 343.108795 26.0 344.281708 24.0 346.259949 23.0 355.642273 21.0 364.108643 20.0 369.1203 40.0 383.521301 19.0 394.219757 25.0 399.131409 27.0 404.459595 20.0 405.063293 24.0 421.865112 17.0 429.070892 18.0 443.880646 25.0 448.136566 25.0 450.661804 18.0 452.202637 18.0 470.864624 25.0 475.343414 21.0 500.876282 20.0 536.160828 18.0 567.739014 29.0 571.117004 17.0 573.209473 18.0 634.062317 18.0 643.123962 22.0 652.763062 18.0 656.971313 18.0 667.501953 23.0 677.129089 20.0 714.968323 17.0 768.497864 17.0 784.060852 18.0 820.608276 21.0 823.849365 23.0 830.506042 18.0 872.849609 19.0 901.987061 22.0 973.420654 22.0 980.39856 19.0 981.19043 17.0 1035.505737 17.0 1040.482666 19.0 1057.13562 22.0 1062.452759 20.0 1080.932983 23.0 1084.34314 18.0 1087.948608 17.0 1092.615601 22.0 1100.935059 23.0 1116.889526 32.0 1148.064453 22.0 1148.488892 25.0 1150.576538 33.0 1155.13855 29.0 1160.251587 18.0 1170.222168 29.0 1197.228027 29.0 1197.92627 19.0 END IONS BEGIN IONS SCANS=256 PEPMASS=217.0824 CHARGE=0 COLLISION_ENERGY=0.0 58.030064 214.0 63.083656 27.0 70.029877 49.0 83.061241 57.0 84.046188 185.0 95.165794 27.0 109.040504 294.0 125.070801 1985.240845 127.050812 2603.713135 128.035477 472.778046 143.081696 557.86792 145.061554 4208.12793 159.891235 87.0 169.06192 493.0 181.062866 91.0 187.071625 276.0 188.075363 88.0 253.060547 25.0 262.269897 17.0 263.320038 26.0 281.537842 20.0 285.140503 20.0 297.939789 20.0 305.007477 18.0 309.720764 19.0 310.368286 18.0 341.601593 24.0 388.554138 18.0 396.645447 18.0 405.690094 18.0 406.24411 29.0 407.077362 18.0 410.256927 18.0 451.84845 31.0 491.394318 18.0 499.011169 22.0 502.924896 23.0 514.196411 17.0 587.196411 17.0 601.648376 34.0 636.219849 18.0 720.761902 18.0 893.691101 18.0 1064.318726 27.0 1124.671265 18.0 1148.773315 20.0 1168.904907 41.0 END IONS BEGIN IONS SCANS=257 PEPMASS=277.05566 CHARGE=0 COLLISION_ENERGY=0.0 52.398968 54.0 58.324074 39.0 58.756943 37.0 85.029533 229.0 96.966789 87.0 99.00695 186.0 100.936455 65.0 113.022598 99.0 113.995605 1849.0 115.00222 485.169678 127.000023 59.0 129.018051 60.0 151.037933 59.0 157.017792 192.0 158.01886 39.0 158.942566 39.0 169.013718 62.0 199.015976 58.0 211.142471 37.0 219.903336 25.0 226.044846 31.0 239.067627 25.0 242.9599 36.0 249.710831 28.0 304.09668 21.0 313.148834 18.0 333.671387 22.0 336.392792 18.0 340.029877 21.0 349.068298 39.0 358.944031 25.0 361.953827 24.0 374.090729 22.0 375.473816 28.0 393.119873 18.0 393.389313 46.0 412.031616 22.0 417.977081 34.0 420.96637 22.0 429.123322 20.0 452.094208 18.0 455.348999 18.0 457.234131 47.999996 476.125885 29.000002 486.704437 18.0 509.943787 34.0 530.130554 23.0 727.030579 23.0 859.03949 21.0 908.052185 21.0 961.233948 17.0 978.55127 20.0 1004.246399 18.0 1005.164978 25.0 1023.144531 23.0 1036.878052 27.0 1052.541626 23.0 1087.114746 18.0 1095.387451 27.0 1104.606567 18.0 1141.311768 18.0 1154.448608 27.0 1155.446411 18.0 1168.090454 18.0 1188.219238 20.0 1194.001099 18.0 END IONS BEGIN IONS SCANS=258 PEPMASS=196.07202 CHARGE=0 COLLISION_ENERGY=0.0 79.766945 46.0 80.03653 266.0 81.045273 502.111176 93.04567 413.0 98.024094 175.0 99.92347 46.0 110.072075 5778.0 111.075073 383.0 134.071793 272.0 136.051331 126.0 137.034683 247.0 146.970428 94.0 154.061127 2100.839844 155.066025 199.0 159.893295 336.0 217.097061 22.0 220.730804 23.0 236.708786 33.0 247.35289 25.0 249.283157 22.0 259.065643 27.0 277.186798 21.0 283.00293 19.0 288.506653 35.0 293.894165 19.0 297.036011 33.0 303.956055 27.0 304.337616 20.0 307.226868 18.0 309.453156 22.0 320.152039 18.0 331.799072 21.0 357.454315 18.0 371.581757 19.0 376.177368 26.0 394.703918 17.0 414.559662 30.0 442.569366 19.0 444.966064 21.0 461.309601 17.0 469.683594 20.0 481.687988 24.0 487.360626 20.0 508.740265 38.0 515.249329 18.0 522.661133 18.0 563.138306 25.0 577.268799 18.0 577.836243 31.0 676.679993 20.0 680.383606 18.0 879.771057 17.0 888.893677 20.0 946.887939 18.0 958.864685 18.0 1011.192749 24.0 1019.148438 18.0 1077.018433 17.0 1093.657349 17.0 1136.47522 18.0 1142.95459 22.0 1146.706299 18.0 1153.770996 20.0 1171.653564 18.0 1183.27124 20.0 1192.949463 20.0 1197.721802 17.0 END IONS BEGIN IONS SCANS=259 PEPMASS=551.16148 CHARGE=0 COLLISION_ENERGY=0.0 70.731468 60.0 71.012924 154.0 85.0271 57.0 89.025124 165.0 97.029831 96.0 99.043892 112.0 101.02462 335.0 113.024567 270.0 119.032722 308.801819 137.059204 213.0 139.040909 147.0 143.033569 180.0 153.055069 119.0 161.045654 437.154358 165.055344 269.0 179.055222 571.265259 183.06279 265.0 191.032227 60.0 205.040497 64.0 209.045746 836.0 221.066467 862.633728 222.069672 228.0 227.053009 100.0 228.061874 48.0 258.972595 21.0 263.076569 107.0 271.098938 22.0 274.887543 35.0 281.067902 139.0 291.887115 22.0 314.1138 20.0 322.843719 21.0 323.096588 56.0 331.102173 20.0 345.122772 22.0 347.080505 25.0 355.088745 28.0 357.849396 21.0 358.275909 25.0 371.095459 39.0 387.407715 39.0 392.346008 24.0 404.050842 18.0 408.65509 20.0 414.941467 20.0 418.704285 28.999998 426.982086 20.0 429.809265 22.0 455.625061 52.707893 455.656769 21.0 463.121033 22.0 478.8479 72.0 478.991882 21.0 481.968933 18.0 506.547974 19.0 507.171387 59.0 516.042542 21.0 520.210266 20.0 522.25 24.0 523.219238 19.0 603.171814 19.0 634.614258 20.0 667.193787 26.0 675.372498 18.0 695.06958 18.0 723.230652 18.0 723.801941 18.0 740.196289 18.0 754.050842 22.0 756.242737 19.0 764.542664 19.0 795.238953 20.0 884.823669 18.0 885.226196 34.0 904.704529 18.0 913.563782 20.0 915.524414 29.0 916.830505 18.0 991.186584 19.0 1031.259277 20.0 1039.621704 17.0 1055.223389 20.0 1065.136108 19.0 1071.224121 20.0 1101.724121 22.0 1103.143799 27.0 1115.641235 22.0 1125.696655 26.0 1131.954102 23.0 1134.786987 24.0 1174.658691 21.0 1181.160767 21.0 1181.244995 25.0 1184.606201 21.0 1189.618408 21.0 END IONS BEGIN IONS SCANS=260 PEPMASS=283.10254 CHARGE=0 COLLISION_ENERGY=0.0 73.265083 31.0 73.466949 22.0 85.027702 39.0 86.86351 23.0 89.02507 67.0 95.071754 37.0 119.035538 41.0 121.04763 61.0 128.756256 31.0 129.103165 293.0 131.083527 638.0 148.910294 34.0 156.080948 61.0 173.09761 1539.0 174.105148 53.0 179.05896 65.0 198.088547 163.0 198.519592 83.0 214.476639 26.0 215.114502 1605.052734 216.117401 121.850128 216.135422 35.0 217.118454 31.0 249.442688 32.0 324.240814 20.0 341.934509 17.0 421.180542 20.0 431.696198 23.0 533.138428 20.0 563.166321 27.0 936.678284 17.0 END IONS BEGIN IONS SCANS=261 PEPMASS=156.02736 CHARGE=0 COLLISION_ENERGY=0.0 54.61338 65.763824 60.745247 37.0 84.247459 37.0 88.039978 3164.0 89.040367 136.67482 89.049957 74.32518 104.547348 32.0 104.899025 30.0 110.719269 33.0 122.718201 37.0 130.355164 40.0 133.109497 37.0 206.371262 24.0 212.832581 23.0 219.303696 34.0 234.690506 29.0 237.705826 22.0 249.545822 22.0 253.937592 30.0 264.093109 18.0 273.945312 18.0 293.674438 20.0 296.228394 22.0 299.9086 26.0 304.658478 20.0 312.722107 21.0 319.606812 24.0 331.32373 43.0 343.529724 37.0 347.472687 26.0 369.725128 20.0 371.536835 19.0 374.122345 25.0 388.700684 20.0 389.857819 21.0 397.567505 22.0 403.022736 18.0 406.901581 37.0 420.267334 25.0 425.512909 20.0 434.391937 31.0 447.539581 54.0 458.53299 18.0 459.641479 24.0 463.493408 18.0 469.082397 32.0 485.863434 18.0 486.911743 20.0 583.210022 38.0 610.439941 20.0 674.98053 19.0 726.211609 17.0 733.660645 21.0 833.949768 18.0 849.126099 18.0 1033.018799 30.0 1101.041382 18.0 1124.886963 24.0 1158.926758 18.0 1180.925659 19.0 END IONS BEGIN IONS SCANS=262 PEPMASS=248.96001 CHARGE=0 COLLISION_ENERGY=0.0 64.604156 37.0 68.995461 73.0 86.144066 39.0 86.49453 51.0 89.328423 34.0 91.684937 62.0 107.081085 56.0 112.985115 5443.503906 113.987717 118.0 114.616852 34.0 114.993706 41.0 149.255325 35.0 156.312027 52.0 169.947601 41.0 176.670898 27.0 178.095535 31.0 180.968933 38.0 190.6185 34.0 200.572723 39.0 201.686188 28.0 206.69632 40.0 206.829803 28.0 210.823105 25.0 296.705109 24.0 302.574249 18.0 309.116608 33.0 316.944977 20.0 357.410919 19.0 365.222198 18.0 376.089844 32.0 384.937469 60.0 385.936951 17.0 389.361176 27.0 403.996582 37.0 407.432129 41.0 408.271851 20.0 418.04364 23.0 452.915009 18.0 459.311371 28.0 472.730927 41.0 475.800903 18.0 489.451202 18.0 506.405762 29.0 523.53595 28.0 529.343994 30.0 640.538513 23.0 675.297913 29.0 686.670532 28.0 694.193665 21.0 712.727173 26.0 722.961731 20.0 757.946716 20.0 814.323059 29.0 857.66925 22.0 971.848572 18.0 1018.34845 27.0 1052.342651 38.0 1062.878296 17.0 1065.325928 18.0 1065.80542 29.0 1099.310669 18.0 1147.145142 21.999998 1161.79834 17.0 1162.14563 40.0 1170.144653 20.0 1177.744873 18.0 1178.21814 18.0 1189.312378 22.0 END IONS BEGIN IONS SCANS=263 PEPMASS=118.05036 CHARGE=0 COLLISION_ENERGY=0.0 61.067928 31.0 73.715202 31.0 74.02552 693.439026 75.028877 142.0 79.762901 28.0 91.658897 38.0 175.756287 40.0 176.906326 29.0 186.041916 55.0 187.641205 40.0 197.590775 48.0 198.178223 37.0 207.295532 21.0 207.712906 24.0 226.105347 22.0 235.458847 26.0 237.621765 23.0 241.747086 22.0 254.363464 22.0 259.094421 72.0 265.050995 45.0 268.386139 29.0 273.681091 26.0 275.492035 22.0 304.95813 25.0 308.774445 22.0 315.393677 22.0 336.648438 22.0 341.07019 49.0 345.4935 26.0 353.903381 24.0 357.662445 20.0 359.985687 21.0 362.730927 19.0 368.529999 20.0 393.779388 35.0 409.935516 25.0 411.289917 21.0 413.45697 19.0 417.929016 18.0 518.533997 23.0 522.285706 20.0 539.795532 18.0 571.765259 22.0 583.477051 23.0 585.889282 18.0 598.000793 45.0 615.100098 18.0 625.90918 25.0 647.122375 33.0 701.891602 18.0 706.284424 18.0 761.329346 22.0 780.20636 17.0 824.152649 18.0 830.106506 21.0 851.407349 20.0 872.41748 18.0 876.05542 21.0 898.971375 17.0 909.794189 19.0 936.593994 18.0 957.11554 19.0 982.536743 22.0 992.917053 24.0 1018.063599 18.0 1019.301575 24.0 1023.135315 20.0 1028.996216 18.0 1029.223022 18.0 1035.180176 24.0 1060.61084 22.0 1073.858643 23.0 1083.491821 18.0 1110.116211 45.0 1121.119263 21.0 1124.628052 20.0 1125.972656 20.0 1128.11499 21.0 1130.550049 20.0 1156.586426 22.0 1158.062012 18.0 1162.047852 29.0 1165.876221 29.0 1199.030029 20.0 1199.520386 19.0 END IONS BEGIN IONS SCANS=264 PEPMASS=259.09075 CHARGE=-1 COLLISION_ENERGY=0.0 56.60453 48.0 63.133022 45.0 74.02449 4559.105957 74.464592 60.0 75.024422 135.0 87.584885 52.0 118.050285 17701.0 119.054497 1007.540283 120.055862 149.0 124.009354 208.0 128.903412 44.0 140.031479 378.275757 152.938171 41.0 153.031006 24.0 158.040436 25.0 166.836166 29.0 171.037735 122.0 191.989197 57.0 203.962982 26.0 209.88324 24.0 210.95076 20.0 212.839569 32.0 215.064651 214.0 231.05336 22.0 309.90152 36.0 313.606232 22.0 314.984802 21.0 326.004181 25.999998 326.075317 18.0 328.250793 21.0 351.714935 18.0 375.779083 33.0 377.601593 18.0 378.435303 24.0 382.844452 18.0 385.388916 24.0 410.51297 19.0 411.125366 17.0 412.08548 18.0 430.930756 17.0 444.960693 22.0 449.482971 32.0 462.158508 18.0 476.491821 18.0 507.846832 20.0 536.096436 18.0 622.679321 18.0 625.610229 18.0 670.663513 28.0 755.783081 20.0 875.506531 18.0 881.852783 42.0 1040.829468 30.0 1089.086182 23.0 1119.542847 19.0 1124.970703 18.0 1178.594238 17.0 END IONS BEGIN IONS SCANS=265 PEPMASS=460.16647 CHARGE=-1 COLLISION_ENERGY=0.0 59.012604 176.0 71.013885 435.0 74.024055 611.0 85.027771 139.0 89.02314 1207.0 90.027115 86.0 101.025146 474.0 113.024307 2102.0 118.049896 8711.616211 119.034973 1271.942749 119.053116 506.05722 124.008598 478.0 161.044891 1799.0 179.054871 2726.429688 180.058624 203.0 181.058502 58.0 186.042984 101.0 191.996979 72.0 211.8862 24.0 212.197968 30.0 233.065765 37.0 233.998611 33.0 244.419144 28.0 245.251556 26.0 251.075272 162.0 259.088379 103.0 265.044464 58.0 268.809113 26.0 271.000275 62.0 299.085449 23.0 302.296478 30.0 305.089935 26.0 323.094696 38.0 327.080353 27.0 341.108704 202.0 343.127319 30.0 356.598145 18.0 357.589355 28.0 376.009796 18.0 377.077881 22.0 381.418365 24.0 389.081757 26.0 403.857697 19.0 407.961456 20.0 409.342926 22.0 413.523804 22.0 413.745972 17.0 487.223633 22.0 537.199768 18.000002 538.991821 18.0 546.934021 18.0 585.919189 20.0 618.226807 21.0 662.660889 22.0 682.399353 20.0 728.658264 17.0 730.608887 21.0 742.051758 21.0 767.655029 31.999998 810.108398 21.0 814.931519 29.0 854.998169 20.0 856.006653 18.0 917.029175 17.0 943.985962 29.0 957.341553 18.0 972.037048 20.0 985.411621 29.000002 994.118713 20.0 1022.55719 20.0 1024.030518 21.0 1035.061401 18.0 1041.000854 28.0 1053.007446 17.0 1066.689087 30.0 1066.851685 18.0 1083.394409 25.0 1092.593018 18.0 1101.029297 17.0 1101.518677 20.0 1102.44812 25.0 1108.937988 18.0 1129.009521 23.0 1148.01355 22.0 1154.484253 20.0 1155.860718 18.0 1171.033447 17.0 1187.882935 17.0 1194.93335 17.0 END IONS BEGIN IONS SCANS=266 PEPMASS=265.04728 CHARGE=0 COLLISION_ENERGY=0.0 55.03474 22.0 64.972069 33.0 74.02597 218.0 79.957825 466.0 89.022102 26.0 96.959526 41.0 118.0513 549.0 119.034012 43.0 124.006844 11175.297852 125.008926 532.0 126.001762 412.376892 146.899323 50.0 153.075439 20.0 154.912369 24.0 164.002533 86.0 172.999924 39.0 176.604858 22.0 191.054718 20.0 201.942703 39.0 203.014679 46.0 203.580521 22.0 205.008575 22.0 221.022446 150.0 223.023987 42.0 287.52713 21.0 305.046875 18.0 357.777374 18.0 362.08725 18.0 362.160889 17.0 376.318939 18.0 388.1698 19.0 403.639923 18.0 422.194 18.0 423.462769 35.0 440.970551 24.0 447.152069 17.0 447.707764 20.0 462.540985 18.0 464.164948 17.0 505.545563 20.0 568.73877 19.0 579.851074 25.0 768.940918 17.0 END IONS BEGIN IONS SCANS=267 PEPMASS=271.0033 CHARGE=0 COLLISION_ENERGY=0.0 63.085152 28.0 70.944023 28.0 79.957474 790.0 80.963463 106.0 81.953812 67.0 99.864594 37.0 106.978195 67.0 109.670029 43.0 124.006813 15259.345703 125.007935 501.0 125.501778 29.0 126.003105 951.0 154.327499 20.0 154.657745 23.0 171.175095 21.0 177.299438 30.0 183.977325 44.0 193.51004 31.0 201.382248 20.0 221.183731 24.0 223.927292 24.0 225.790817 21.0 228.071777 27.0 236.844467 22.0 312.573395 20.0 315.258209 43.0 324.638123 27.0 326.306061 22.0 340.899139 29.0 344.298706 22.0 350.170502 25.0 350.509186 19.0 351.978516 18.0 356.520538 22.0 364.247742 18.0 381.908722 20.0 406.409241 18.0 419.321716 18.0 430.025757 19.0 430.90097 17.0 451.441376 24.0 461.979126 18.0 477.288605 22.0 478.786743 25.0 487.40979 20.0 488.614014 20.0 562.017151 29.0 570.968323 20.0 572.225098 18.0 582.189392 28.0 593.926697 18.0 605.54425 18.0 623.186523 19.0 628.38855 18.0 647.151978 20.0 655.492737 20.0 659.175598 18.0 692.640015 19.0 785.540405 22.0 787.01886 20.0 836.218018 18.0 884.278687 18.0 929.557556 20.0 1048.964966 18.0 1087.023682 18.0 1087.347412 21.0 1170.047485 18.0 1183.002563 22.0 END IONS BEGIN IONS SCANS=268 PEPMASS=124.00674 CHARGE=0 COLLISION_ENERGY=0.0 78.955383 38.0 79.956863 5961.709961 80.43866 58.0 80.96405 140.492752 81.953819 253.664627 95.338081 41.0 101.458374 53.0 155.745377 72.0 161.046753 36.0 166.095001 54.0 169.733063 26.0 174.400177 24.0 198.04895 25.0 201.957184 24.0 221.122711 23.0 237.182861 23.0 240.694336 25.0 245.774078 40.0 249.017853 65.0 250.883286 24.0 264.547424 32.0 267.794586 24.0 271.010162 48.0 273.070099 67.0 274.420441 27.0 304.344025 42.0 305.538574 20.0 306.914948 21.0 332.883911 19.0 336.266663 22.0 341.036285 28.0 352.460724 18.0 357.152374 42.0 362.597046 18.0 382.11026 20.0 383.770691 32.0 387.960083 23.0 414.423584 18.0 418.207001 17.0 431.395966 18.0 433.023804 19.0 445.343323 19.0 447.500214 17.0 461.657318 22.0 465.658813 20.0 466.116333 27.0 480.682678 28.0 485.231537 17.0 499.047333 19.0 515.133301 18.999998 543.020569 20.0 544.541504 22.0 564.989807 23.0 566.998108 20.0 570.904358 18.0 606.636169 33.0 668.524475 22.0 685.268005 18.0 690.020935 21.0 695.055603 18.0 707.254517 23.0 713.981323 38.0 784.724121 17.0 794.006836 20.0 803.057678 21.0 806.946411 18.0 815.002869 20.0 817.017456 22.0 898.092285 17.0 977.990845 34.0 984.019348 20.0 1000.098755 18.0 1007.961853 22.0 1065.036011 20.0 1073.612061 18.0 1083.416138 18.0 1110.937012 18.0 1117.956421 18.0 1127.565552 24.0 1137.006836 26.0 1144.942993 18.0 1149.101929 18.0 1150.532471 18.0 1162.008423 19.0 1183.031738 41.0 1187.602539 20.0 1189.97229 20.0 1194.537964 26.0 END IONS BEGIN IONS SCANS=269 PEPMASS=466.12331 CHARGE=-1 COLLISION_ENERGY=0.0 50.432392 38.0 51.233154 51.0 79.945045 36.0 79.957642 328.617188 85.777206 34.0 90.249336 39.0 124.006851 28296.765625 124.059006 72.0 124.074722 44.0 124.598701 39.0 125.00988 1127.0 126.003113 1379.07312 153.519928 20.0 157.170319 20.0 163.953018 22.0 183.968338 22.0 186.039566 50.0 191.994659 75.0 208.980698 72.0 213.340469 23.0 229.30864 26.0 239.233566 25.0 243.943542 25.0 249.416611 48.0 254.332275 50.0 266.053162 35.0 267.131989 21.0 270.078278 22.0 271.008148 105.0 275.195435 22.0 302.246185 29.0 309.80246 35.0 310.053497 20.0 310.961273 22.0 312.643188 25.0 327.535919 33.0 354.218567 31.0 363.032013 28.0 370.936005 19.0 377.622406 28.0 400.755737 17.0 413.454956 20.0 423.194122 20.0 429.04422 18.0 430.147491 18.0 431.021698 22.0 509.654449 18.0 525.179199 18.0 559.686768 30.0 564.996399 36.0 584.152405 20.0 587.238831 33.0 667.994568 21.0 669.03772 18.0 683.225464 18.0 683.68219 17.0 711.975525 18.0 730.494507 20.0 769.971313 18.0 781.063965 17.0 816.896362 21.0 841.995728 18.0 843.476257 18.0 846.229431 19.0 860.968262 18.0 922.606689 20.0 937.061584 19.0 974.113586 17.0 1029.931152 20.0 1071.904053 21.0 1074.999512 18.0 1083.943359 18.0 1096.582031 19.0 1104.913086 23.999998 1110.902832 18.0 1111.949219 20.0 1137.419067 29.000002 1167.036133 18.0 1168.039062 21.0 1170.168457 20.0 1177.569824 25.0 1185.497437 20.000002 END IONS BEGIN IONS SCANS=270 PEPMASS=118.05015 CHARGE=0 COLLISION_ENERGY=0.0 51.797432 35.0 54.310265 39.0 71.409996 51.0 74.022224 74.0 88.039055 527.0 153.461594 29.0 154.368622 32.0 155.732834 21.0 168.182159 22.0 170.776566 22.0 185.895004 42.0 206.625687 43.0 224.112671 23.0 234.658157 27.0 235.648102 50.0 239.845261 27.0 249.015335 44.0 257.99118 20.0 260.385864 27.0 270.327545 18.0 276.303528 18.0 283.945099 20.0 290.64502 35.0 306.111176 23.0 306.555145 20.0 315.766388 19.0 317.058533 26.0 320.206665 22.0 335.409485 28.0 351.098877 18.0 375.389709 18.0 386.461914 18.0 387.783234 20.0 395.887482 18.0 397.269501 20.0 406.575562 23.0 439.931763 22.0 441.946106 26.0 443.827454 18.0 447.573639 20.0 461.346313 18.0 467.820709 18.0 477.68808 25.0 494.001221 25.0 511.06546 23.0 521.031372 18.0 521.613831 17.0 534.437866 21.0 534.809631 20.0 552.041321 18.0 601.865417 27.0 650.203735 18.0 675.645569 25.0 702.701416 18.0 742.720703 18.0 752.179993 18.0 829.747498 17.0 919.957703 28.0 996.747437 18.0 1037.597412 17.0 1131.377319 20.0 1132.137329 33.0 END IONS BEGIN IONS SCANS=271 PEPMASS=351.06616 CHARGE=0 COLLISION_ENERGY=0.0 62.99054 271.0 64.987137 40.0 65.09153 22.0 66.336372 24.0 67.760193 37.0 86.915359 38.0 100.040733 615.0 101.044754 61.0 109.901726 24.0 114.807358 25.0 115.94101 28.0 149.015457 67.0 164.038956 4843.922363 164.192566 31.0 165.042068 513.0 166.037781 321.573914 167.04303 69.0 199.960602 50.0 207.370178 23.0 224.043198 22.0 226.034302 25.0 230.628418 22.0 245.961227 22.0 249.014755 81.0 260.048096 77.0 260.973602 65.0 261.986664 36.0 265.144592 42.0 287.069519 135.0 297.024048 43.0 304.972351 128.0 305.016418 31.0 306.96051 55.0 307.961426 35.0 319.792725 31.0 386.082092 30.0 387.12793 21.0 390.187195 20.0 449.630859 18.0 452.289062 55.0 453.888611 18.0 458.002777 19.0 476.465637 22.0 484.445343 20.0 487.679718 22.0 507.712189 27.0 548.049438 35.0 592.865784 20.0 624.959961 22.0 663.948547 19.0 772.73999 24.0 815.132263 22.0 897.304993 34.0 991.178833 18.0 1014.956421 17.0 1042.864258 20.0 1066.983643 17.0 1140.222778 18.0 1170.528564 20.0 END IONS BEGIN IONS SCANS=272 PEPMASS=164.0381 CHARGE=-1 COLLISION_ENERGY=0.0 62.490105 52.0 62.990471 1913.0 64.985466 57.0 72.009048 83.0 72.261215 46.0 73.016518 48.601044 100.039879 2204.896973 101.043251 77.0 102.044548 57.0 114.98777 101.0 119.945961 68.0 204.768723 47.0 221.997574 208.0 223.995117 43.0 232.027954 44.0 234.8237 49.0 249.020279 39.0 264.481812 26.0 264.969116 27.0 270.36499 43.0 271.013824 30.0 276.022217 25.0 289.983276 33.0 308.344269 24.0 316.929871 38.000004 327.114471 20.0 330.522583 21.0 330.995453 21.0 335.934387 35.0 351.067444 382.0 352.073486 43.0 353.080017 37.0 354.031311 52.0 354.065643 38.0 369.297699 25.999998 413.194885 26.0 417.962921 47.0 418.971649 71.0 420.037292 31.0 422.970581 43.0 432.924622 30.999998 452.789856 19.0 469.937531 25.0 471.935547 20.0 478.996918 20.0 492.985504 20.0 498.211761 25.0 506.963684 26.0 512.081238 23.0 515.217407 21.0 532.661255 24.0 534.974915 25.0 538.09552 55.0 550.936768 19.0 561.996643 20.0 564.880249 20.0 567.128052 44.0 570.04364 20.0 594.145081 24.0 600.053772 24.0 607.075684 21.0 609.929749 22.0 619.167664 21.0 621.97052 22.0 645.891846 30.0 653.049866 20.0 654.008301 41.0 655.440796 21.0 664.280334 24.0 666.867981 21.0 683.128235 21.0 701.988647 22.0 711.084778 24.0 711.966309 54.0 715.960571 22.0 729.490723 23.0 745.157288 23.0 753.016296 18.0 755.176758 29.0 760.999451 18.0 768.268982 18.0 773.924805 25.0 785.090271 65.0 812.235962 36.0 814.167542 26.0 815.03949 21.0 817.982178 26.0 842.762146 20.0 846.050781 20.0 861.02063 23.0 868.073975 20.0 875.127319 24.0 883.25 23.0 887.846802 28.999998 889.964111 27.0 901.004639 35.0 913.152649 41.0 915.1427 25.0 923.111877 27.0 926.063049 23.0 938.859375 24.0 963.174316 22.0 970.118164 36.0 972.089539 55.0 975.090881 23.0 986.1698 24.0 999.085754 24.0 1003.024048 31.0 1004.930298 27.0 1025.017944 24.0 1032.67688 26.0 1036.932129 33.0 1040.089478 30.0 1055.087891 34.0 1056.07666 57.0 1074.598755 34.0 1079.893921 32.0 1088.165161 28.0 1090.072632 35.0 1106.078735 42.0 1108.521484 24.0 1113.049927 33.0 1115.03894 39.0 1124.036865 76.0 1149.919312 31.0 1158.130737 35.0 1163.96936 46.0 1171.012451 57.0 1172.087036 80.0 1178.53418 29.0 1180.369995 33.0 END IONS BEGIN IONS SCANS=273 PEPMASS=347.07439 CHARGE=-1 COLLISION_ENERGY=0.0 59.013668 265.0 71.014221 605.99646 73.02829 108.0 85.031853 112.0 89.023628 1185.0 99.006996 62.0 101.024246 691.0 113.023232 353.0 119.036522 198.0 131.034653 724.60144 132.03421 163.0 149.045319 2701.627197 150.048782 87.0 161.041718 132.0 174.858673 118.0 176.86145 87.0 179.052719 197.0 191.054108 406.917633 202.046677 41.0 208.076096 40.0 213.048706 37.0 221.067978 200.0 231.049606 41.0 241.124268 37.0 250.980911 49.0 251.073364 138.0 260.921265 49.0 275.045746 68.0 281.090912 124.0 293.092438 114.0 311.097382 375.0 313.118317 482.167633 377.075378 39.0 379.082397 36.0 392.76123 34.0 453.525085 24.0 457.192932 26.0 485.423737 18.0 495.178741 19.0 501.137787 18.0 519.287415 19.0 551.16803 19.0 558.157959 31.0 573.209473 20.0 578.565979 20.0 585.76001 20.0 587.143921 21.0 609.145508 18.0 662.523254 18.0 711.147339 18.0 717.66333 17.0 752.311768 22.0 755.260864 28.0 759.760559 21.0 802.123352 20.0 820.866394 18.0 826.335083 18.0 828.503479 19.0 836.227417 20.0 838.143921 18.0 852.698181 23.0 870.0755 19.0 901.108643 22.0 919.03656 18.0 922.540161 20.0 984.051025 18.0 993.452637 20.0 998.540894 23.0 999.325073 20.0 1031.67041 20.0 1038.429932 24.0 1048.005005 21.0 1052.67688 28.0 1064.00647 31.000002 1070.46106 22.0 1079.433716 22.0 1102.171265 36.0 1105.8302 20.0 1111.335449 20.0 1120.560181 18.0 1126.435059 18.0 1143.625732 18.0 1168.096436 18.0 1198.004517 18.0 END IONS BEGIN IONS SCANS=274 PEPMASS=223.04523 CHARGE=0 COLLISION_ENERGY=0.0 75.007751 547.0 85.029152 725.0 87.007439 277.0 87.917313 460.0 89.917206 310.0 99.009224 554.0 129.018921 795.0 131.907013 1152.455933 132.913239 943.640137 133.906647 705.0 134.913239 451.0 147.901306 888.0 159.028 174.0 176.905212 419.663513 177.040115 1330.153564 177.911392 318.748901 178.902008 451.522858 195.05159 228.0 260.878784 26.0 313.59375 18.0 316.457031 18.0 359.083344 20.0 460.295532 18.0 562.072205 17.0 657.265137 18.0 716.408081 18.0 END IONS BEGIN IONS SCANS=275 PEPMASS=147.02955 CHARGE=0 COLLISION_ENERGY=0.0 55.018997 43.0 57.033649 71.0 59.013474 127.0 75.007492 40.0 81.034454 45.0 85.028511 959.0 101.023445 297.0 103.039955 263.0 247.349884 23.0 305.082184 23.0 418.64328 20.0 508.251526 17.0 787.872559 18.0 END IONS BEGIN IONS SCANS=276 PEPMASS=196.06061 CHARGE=-1 COLLISION_ENERGY=0.0 72.008537 533.0 74.024094 701.0 75.007431 89.0 89.040253 103.999992 91.055107 123.0 93.03241 69.0 107.051445 689.0 109.027977 1663.588135 122.03669 3169.304443 123.044945 1099.0 134.036835 877.0 135.044342 8501.202148 160.84108 14222.322266 162.838562 12378.567383 231.384979 23.0 251.603195 20.0 252.662018 22.0 253.913025 19.0 261.618011 20.0 280.14978 18.0 299.071289 19.0 300.254944 27.0 309.222473 22.0 314.735046 51.0 327.872711 26.0 337.676239 22.0 347.069305 26.0 351.084625 21.0 377.082886 26.0 378.097412 18.0 408.877106 18.0 431.186432 21.0 472.475372 17.0 538.870239 30.0 566.266052 19.0 991.603882 26.0 1091.750244 20.0 1123.532837 22.0 1152.560181 24.0 1153.72168 21.0 1156.398438 22.0 END IONS BEGIN IONS SCANS=277 PEPMASS=203.1032 CHARGE=0 COLLISION_ENERGY=0.0 58.027237 53.0 72.044945 164.0 82.068962 64.0 87.008652 60.0 98.058083 87.0 99.045357 81.0 113.941696 200.0 125.874252 666.648376 126.054924 192.0 129.934402 237.0 139.087326 541.817322 141.103119 605.811401 160.04068 362.0 161.094254 491.0 164.836502 459.0 166.834869 297.0 288.945007 31.0 308.285553 19.0 337.86615 25.0 355.391083 19.0 380.562012 31.999998 437.919037 18.0 544.513611 18.0 720.672302 17.0 END IONS BEGIN IONS SCANS=278 PEPMASS=573.15869 CHARGE=-1 COLLISION_ENERGY=0.0 53.03828 51.0 59.013588 101.0 71.010757 161.0 89.02375 568.0 92.928459 62.0 96.915108 97.0 101.02356 306.0 113.025299 190.0 119.034576 529.0 131.033234 135.095428 133.067825 80.0 143.033981 196.0 161.045425 401.0 177.055771 788.0 178.057693 149.0 179.055435 2011.624146 180.059464 73.0 181.058456 97.0 207.04248 21.0 210.843781 28.0 211.005173 39.0 215.242386 28.0 233.629105 49.0 242.196152 35.0 256.981171 22.0 266.803162 94.0 268.799438 47.0 286.108368 22.0 289.284363 28.000002 292.669922 25.0 301.00061 28.0 305.985352 41.0 306.792145 38.0 312.528534 22.0 316.148743 22.0 324.765564 49.0 351.466675 24.0 353.101471 27.0 357.118958 1061.0 358.124115 177.0 377.082886 88.0 385.103516 30.0 417.137054 41.0 426.9328 25.0 427.331726 34.0 433.071503 28.0 446.659485 25.0 447.154602 57.0 459.150299 23.0 471.162415 18.0 471.888824 18.0 477.162689 257.0 490.276672 18.000002 519.169312 19.0 521.757874 18.0 524.064514 18.0 536.191162 37.0 537.179932 121.0 538.17804 23.0 629.111023 18.0 676.505798 18.0 725.593262 22.0 748.443665 21.0 763.267761 27.0 784.531006 19.0 785.354431 23.0 804.369934 18.0 923.253967 23.0 929.292603 24.0 935.437073 25.0 942.886658 26.0 986.677734 26.0 992.182129 43.0 1007.464478 22.0 1008.108704 21.0 1033.161377 23.0 1041.609741 25.0 1051.33667 27.0 1062.116211 17.0 1087.491577 33.0 1115.03186 31.000002 1134.050415 17.0 1142.36438 33.0 1150.585815 20.0 1181.925293 20.0 1185.66333 26.0 1189.766235 23.000002 1193.577881 41.0 1198.91748 25.0 END IONS BEGIN IONS SCANS=279 PEPMASS=153.8683 CHARGE=-1 COLLISION_ENERGY=0.0 78.958084 36.0 79.144798 29.999998 80.742889 58.0 80.964684 57.0 96.957092 38.0 98.020927 37.0 109.024025 24.0 118.899162 178.0 119.900406 24.0 120.897217 99.0 133.729034 24.0 204.607422 17.0 211.600464 21.0 244.25592 20.0 263.720764 28.0 265.358063 17.0 312.463928 18.0 322.119537 18.0 339.710052 26.0 358.357513 18.0 360.182556 20.0 365.899811 37.0 382.339539 21.0 430.134033 18.0 458.234619 37.0 473.723358 35.0 504.076508 29.0 519.798523 18.0 559.714478 26.0 564.495361 18.0 608.179565 19.0 798.557007 20.0 859.924561 20.0 END IONS BEGIN IONS SCANS=280 PEPMASS=160.84161 CHARGE=-1 COLLISION_ENERGY=0.0 62.990257 1367.0 63.963909 62.0 70.995956 35.0 73.013771 35.0 84.472298 32.0 98.023155 38.0 100.03978 1508.80127 108.990967 32.0 125.878479 26.0 127.86869 41.0 132.551056 24.0 224.410202 18.0 236.700043 33.0 239.002197 17.0 239.148621 53.0 245.217407 18.0 353.059052 17.0 372.024139 22.0 378.080994 21.0 489.14212 18.0 571.964172 18.0 670.164551 18.0 END IONS BEGIN IONS SCANS=281 PEPMASS=162.8388 CHARGE=-1 COLLISION_ENERGY=0.0 62.990086 387.0 66.951248 28.0 75.009819 34.0 79.956528 54.0 80.879555 27.0 89.558311 31.0 100.040451 441.0 101.043823 48.0 119.907623 101.0 122.418106 46.0 129.867096 106.0 207.295135 20.0 214.252274 22.0 256.390381 18.0 279.200226 27.0 290.350525 17.0 291.42334 18.0 351.075531 18.0 367.702393 22.0 372.887634 25.0 374.400391 22.0 378.098938 18.0 398.811859 19.0 404.102173 22.0 472.013519 28.999998 569.120605 24.0 730.138367 21.0 747.269409 18.0 913.307007 18.0 945.802551 18.0 1017.939331 30.0 1022.927856 20.0 1059.390503 26.0 1160.493774 18.0 1193.139893 25.0 END IONS BEGIN IONS SCANS=282 PEPMASS=567.13286 CHARGE=-1 COLLISION_ENERGY=0.0 55.018333 38.0 59.01413 271.0 71.013092 243.0 87.008629 139.0 89.024155 679.0 97.030685 164.0 101.024277 430.0 113.024155 382.0 119.035843 468.0 131.033356 118.0 143.036362 318.0 149.042969 101.0 161.004715 29.0 161.045334 1526.653076 162.045197 90.0 179.055618 1996.544556 180.058701 87.078232 189.039337 153.0 207.05188 617.0 208.045761 74.0 221.067795 675.0 222.072037 57.0 223.99617 69.0 249.062531 130.0 251.074432 64.0 263.074127 76.0 264.079987 33.0 276.373322 41.0 281.087769 117.0 291.072937 37.0 309.082642 188.0 312.855774 20.0 323.098083 581.017578 324.096283 129.0 325.09906 41.0 341.107635 499.0 351.102997 26.0 369.102509 408.0 377.088287 30.0 383.119751 1487.0 384.12207 155.0 385.126556 44.0 407.119598 115.0 409.11438 36.0 411.115845 305.0 412.126465 75.0 425.12262 106.0 425.320007 26.0 452.028076 29.0 453.128998 456.0 454.128601 85.0 471.129456 43.0 472.135864 20.0 485.154846 56.0 503.160004 4461.340332 504.160767 579.0 505.169281 190.0 510.215546 27.0 519.076172 22.0 533.15094 31.0 635.277649 28.0 697.701721 18.0 843.729797 18.0 END IONS BEGIN IONS SCANS=283 PEPMASS=164.83652 CHARGE=-1 COLLISION_ENERGY=0.0 62.991962 67.0 70.997711 25.0 84.318901 25.0 92.048958 20.0 93.037308 20.0 100.039627 74.0 101.037819 23.0 119.909599 43.0 127.873367 35.0 132.866379 40.0 190.041687 21.0 208.533981 47.0 212.169678 21.0 263.255951 25.0 267.516632 18.0 283.729736 23.0 284.896362 26.0 294.501434 20.0 298.593048 39.0 326.935364 21.0 329.798248 18.0 368.878723 30.0 369.415222 18.0 399.91748 17.0 514.382629 22.0 537.740479 24.0 550.249939 18.0 566.771301 20.0 591.5495 19.0 652.168884 24.0 698.749573 19.0 END IONS BEGIN IONS SCANS=284 PEPMASS=341.10808 CHARGE=-1 COLLISION_ENERGY=0.0 59.013939 298.0 71.012688 274.0 85.030365 45.0 89.023926 613.0 92.924309 58.0 93.680138 47.0 101.022728 294.0 107.051468 41.0 113.024025 307.0 119.034409 237.0 131.037506 78.0 143.033585 59.0 161.048523 113.50264 179.056595 403.0 181.914993 40.0 182.418427 52.0 182.857025 35.0 186.869659 35.0 207.982208 47.0 208.503677 38.0 208.843811 37.0 217.036392 29.999998 222.860886 50.0 249.128494 27.0 251.115417 20.0 252.06958 27.0 255.231903 20.0 289.073456 23.0 295.935455 19.0 297.051575 50.0 377.08609 254.0 378.080353 37.0 379.082581 149.0 380.086945 21.0 400.02655 21.0 408.203888 18.0 420.694489 23.0 427.958099 19.0 435.036987 17.0 459.25238 19.0 473.746765 18.0 474.858673 20.0 480.140808 19.0 494.977875 31.0 520.310913 18.0 552.95282 17.0 556.141968 20.0 567.129211 57.0 569.119324 18.0 587.383179 31.0 610.482849 22.0 614.222595 37.0 624.07196 26.0 626.755615 30.0 709.813477 19.0 723.205688 30.0 732.695862 68.0 753.96991 18.0 772.861877 32.0 870.666016 18.0 870.752563 39.0 871.204956 22.0 916.900696 18.0 921.523193 17.0 958.087219 28.0 971.826538 22.0 981.029602 21.0 988.694763 24.0 990.383179 18.0 1009.649048 19.0 1066.513062 18.0 1097.664185 18.0 1111.097656 19.0 1114.724243 18.0 1114.86084 33.0 1116.579956 32.0 1130.40686 39.0 1133.99292 26.0 1152.214722 18.0 1158.922607 29.0 END IONS BEGIN IONS SCANS=285 PEPMASS=369.13025 CHARGE=0 COLLISION_ENERGY=0.0 59.011715 38.0 72.006264 158.0 73.029915 76.0 74.027924 39.0 85.030563 37.0 89.022408 36.0 131.037003 67.0 134.053726 91.0 142.065048 245.0 143.069794 97.0 144.04689 435.245209 146.063065 507.0 158.062012 874.0 169.076797 2617.876465 170.061401 1415.983643 181.07695 356.0 188.072144 462.0 199.086685 1885.968506 200.089188 354.484314 202.050812 513.092529 211.093155 118.0 217.095154 116.0 243.077728 198.0 249.090256 280.0 250.090668 24.0 261.084534 60.0 279.100281 120.0 283.060577 51.0 292.130066 25.0 296.116089 56.0 301.157227 76.0 311.171051 163.0 312.170227 36.0 322.853455 38.0 331.160095 35.0 332.961823 54.0 706.255737 22.0 909.582214 18.0 END IONS BEGIN IONS SCANS=286 PEPMASS=380.08579 CHARGE=-1 COLLISION_ENERGY=0.0 59.012508 616.077759 71.013527 1031.0 85.027252 206.0 89.023781 2742.144775 90.027435 129.0 91.027298 138.0 101.023872 1573.0 113.023369 1874.748413 119.034271 1961.0 131.035248 240.0 143.034683 342.0 149.046539 254.0 161.045929 1415.0 162.04834 216.0 179.055786 5236.279785 180.056946 626.0 181.061157 238.0 199.018677 376.0 206.069794 96.0 215.034714 162.44751 217.028915 1331.945679 218.029297 115.0 221.063843 264.0 222.068161 98.0 251.074188 96.0 254.938675 30.0 255.108429 27.0 268.27948 25.0 281.094788 182.0 283.094849 58.628544 335.021423 49.0 341.108459 9733.0 342.111877 2051.0 343.112305 1255.0 344.113403 152.0 345.119354 58.0 356.980347 28.0 426.889282 22.0 504.742859 29.0 544.147583 20.0 719.206238 18.0 844.436646 43.0 1102.747314 19.0 END IONS BEGIN IONS SCANS=287 PEPMASS=377.08539 CHARGE=-1 COLLISION_ENERGY=0.0 59.012943 3546.0 71.012863 4691.0 85.029106 532.0 89.023537 13901.0 90.028145 598.0 97.028374 256.0 101.023888 7385.990234 113.023659 6937.924805 119.034233 9184.785156 131.035919 1629.815552 143.03418 2958.0 149.044647 1812.386841 161.044586 7079.96875 162.048508 588.0 179.055344 23775.292969 180.058624 1521.447144 197.02182 993.0 199.019424 371.0 215.031937 7095.449707 216.037537 571.0 217.029495 2347.0 218.028412 143.0 221.066818 1482.0 222.070786 194.956573 251.074966 572.990051 269.091248 38.0 271.083374 30.0 281.082825 348.267944 282.08963 60.0 298.022705 27.0 323.110596 82.310089 341.107605 49210.0 341.191406 1397.0 342.111725 7907.0 343.11322 1491.0 344.115845 243.0 404.439026 21.0 418.493317 20.0 419.534821 20.0 420.671661 22.0 421.168518 30.0 426.489105 20.0 463.008514 40.0 538.604614 20.0 538.778992 18.0 542.78772 20.0 544.744446 18.0 555.265442 17.0 583.910645 18.0 587.93811 20.0 589.703613 28.0 595.131775 18.0 621.50415 21.0 642.358765 20.0 654.185242 23.0 694.436707 20.0 704.282898 22.0 760.784241 34.0 775.742798 17.0 842.232422 18.0 942.986816 18.0 991.482605 20.0 999.564575 19.0 1002.278503 18.0 1021.590088 24.0 1038.991699 17.0 1057.533447 19.0 1083.121826 21.0 1159.625977 21.0 1176.332397 35.0 1177.509888 48.0 1184.514648 18.0 1196.427124 22.0 1197.640991 23.0 END IONS BEGIN IONS SCANS=288 PEPMASS=195.81008 CHARGE=-1 COLLISION_ENERGY=0.0 68.215454 37.0 70.542046 37.0 72.996155 40.0 75.007126 429.0 85.100845 33.0 99.008293 61.0 101.025459 33.0 111.853584 32.0 117.272263 33.0 129.019135 154.0 135.041443 62.0 137.739426 48.0 160.841095 22892.882812 162.838623 17846.490234 164.836258 1211.0 219.396561 21.0 220.833359 31.0 235.168777 27.0 272.378204 20.0 276.001282 25.0 279.08194 19.0 281.934509 26.0 284.486053 23.0 291.211975 21.0 302.393188 18.0 306.971924 20.0 314.644958 30.0 316.114868 20.0 347.458069 19.0 349.08609 17.0 353.058685 18.0 359.309021 18.0 377.090485 49.0 379.079651 22.0 393.378998 22.0 397.396576 19.0 404.91452 21.0 405.471558 25.0 414.791748 23.0 416.123383 24.0 420.894623 21.0 444.040436 31.0 464.494293 26.0 474.793243 20.0 475.184784 17.0 489.627411 21.0 503.153961 18.0 508.152985 17.0 515.53064 18.0 537.482361 19.0 540.441467 19.0 542.912964 20.0 554.643555 27.0 655.56012 20.0 697.2099 20.0 785.879822 18.0 907.195374 20.0 925.048218 18.0 934.594727 18.0 949.709045 20.0 951.061523 27.0 985.985718 19.0 1003.743958 19.0 1006.772949 18.0 1017.497131 21.0 1027.74707 18.0 1032.58313 24.0 1076.527832 18.0 1081.87439 21.0 1112.036133 18.0 1125.196899 18.0 1144.344482 17.0 1149.114624 22.0 1156.943726 42.0 1164.480835 20.0 1165.483398 27.0 1166.903809 32.0 1173.991577 18.0 1196.782593 20.0 END IONS BEGIN IONS SCANS=289 PEPMASS=85.02885 CHARGE=0 COLLISION_ENERGY=0.0 111.244774 34.0 113.064491 23.0 113.547325 21.0 114.877258 22.0 137.955414 39.0 138.478638 61.0 160.644501 20.0 162.586441 18.0 170.291916 19.0 190.897156 19.0 194.356155 30.0 194.75238 30.0 201.11235 21.0 201.502228 25.0 205.445389 30.0 209.052597 28.0 213.632721 22.0 226.749069 22.0 250.480621 18.0 254.23143 30.0 257.348724 26.0 258.261963 19.0 268.123993 28.0 311.962646 20.0 321.806885 31.0 323.099426 20.0 330.398773 18.0 330.918884 18.0 344.831146 19.0 359.175873 18.0 377.094238 39.0 378.078613 34.0 446.648224 18.0 483.427216 17.0 583.684692 40.0 672.733826 27.0 717.339111 18.0 727.187744 18.0 890.440125 32.0 917.415833 18.0 1007.028381 29.0 1050.358887 20.0 1060.103394 26.0 1071.686646 18.0 1098.120972 30.999998 1132.163696 23.0 1155.080322 30.0 1164.594604 18.0 1167.995117 18.0 1168.685303 20.0 1168.979736 17.0 1169.580078 18.0 END IONS BEGIN IONS SCANS=290 PEPMASS=351.088 CHARGE=-1 COLLISION_ENERGY=0.0 59.017838 27.0 79.000946 17.0 88.987564 20.0 89.023865 113.0 97.943336 18.0 101.026207 57.0 120.949036 30.0 139.941452 31.0 139.968475 32.0 147.937286 57.0 149.041656 43.0 159.89006 47.0 164.036362 47.0 176.014694 67.0 176.856705 58.0 178.86351 55.0 179.055374 54.0 203.966187 20.0 208.959991 33.0 219.078751 20.0 230.164841 29.0 237.918808 26.0 241.00621 20.0 254.163361 19.0 260.907593 24.0 260.975708 104.0 261.930328 21.0 277.004669 22.0 298.979187 40.0 304.964508 118.0 306.961731 37.0 313.117981 306.0 314.116058 127.0 314.871246 49.0 315.169861 47.0 455.866028 26.0 608.323608 18.0 638.961609 18.0 803.211182 20.0 END IONS BEGIN IONS SCANS=291 PEPMASS=349.09021 CHARGE=-1 COLLISION_ENERGY=0.0 59.013565 209.0 71.013344 146.0 76.938416 20.0 87.048485 26.0 89.023781 733.0 90.030563 43.0 101.024887 244.0 113.023766 254.0 119.035126 663.0 131.03476 133.0 143.035538 196.0 149.0457 132.0 157.93277 63.0 161.045135 301.144775 164.037155 110.0 178.860199 81.0 179.055725 1196.0 180.060867 93.0 221.960648 42.0 229.052673 21.0 233.055191 32.0 235.904602 20.0 235.922974 21.0 236.862061 23.0 257.105621 50.0 260.980286 132.0 274.888947 71.0 279.907898 39.0 292.894196 35.0 293.88147 41.0 313.05069 34.0 313.114105 4627.633789 314.11676 439.0 315.120667 200.0 316.903503 38.0 432.123077 17.0 507.166138 25.0 717.249512 17.0 731.473022 20.0 746.574097 17.0 867.836548 18.0 END IONS BEGIN IONS SCANS=292 PEPMASS=197.80745 CHARGE=-1 COLLISION_ENERGY=0.0 51.62468 29.0 51.937756 24.0 54.516865 28.0 73.030205 32.0 74.137276 33.0 74.950981 47.0 100.214302 31.0 122.67308 39.0 128.843994 24.0 139.37384 31.0 144.987885 35.0 147.391556 34.0 160.842194 10081.444336 162.838974 35624.875 163.839874 816.0 164.835709 9957.615234 227.887436 25.0 229.276825 28.0 264.19809 20.0 271.350983 27.0 279.079224 18.0 293.207764 20.0 293.919434 24.0 308.375214 22.0 315.472229 19.0 320.768555 27.0 332.293121 33.0 339.773926 25.0 349.098938 24.000002 371.218781 18.0 377.083771 20.0 378.095276 23.0 379.083221 35.0 380.087219 22.0 391.146088 19.0 403.357086 18.0 454.202026 22.0 485.244965 18.0 513.779602 20.0 539.541077 22.0 572.866455 20.0 653.85199 18.0 696.240356 42.0 867.964661 20.0 926.599609 23.0 961.136719 17.0 991.405884 27.0 1006.309814 22.0 1059.540649 20.0 1123.491211 24.0 1125.004517 27.0 1142.686279 25.0 1168.595947 18.0 END IONS BEGIN IONS SCANS=293 PEPMASS=199.80439 CHARGE=-1 COLLISION_ENERGY=0.0 62.989582 56.0 66.278625 22.0 72.045105 41.0 74.025131 23.0 79.956116 58.0 82.31974 23.0 100.038719 171.0 101.054283 36.475029 110.972702 25.0 123.009354 28.0 141.107071 37.0 142.011414 24.0 162.838745 5789.369629 163.840317 378.0 164.038879 566.0 164.835434 7540.613281 166.83345 636.833801 258.447113 19.0 279.877014 18.0 289.566193 18.0 290.623962 23.0 299.440338 20.0 328.834595 23.0 399.932281 29.0 504.651154 58.0 580.083679 20.0 613.547852 22.0 679.395142 18.0 END IONS BEGIN IONS SCANS=294 PEPMASS=255.82169 CHARGE=-1 COLLISION_ENERGY=0.0 68.222626 18.0 79.127472 22.0 86.423889 22.0 88.051186 17.0 91.915504 23.0 118.11068 28.0 137.89772 27.0 140.898102 22.0 145.910477 23.0 146.938599 27.0 147.893341 118.0 166.865891 1378.0 168.862762 385.0 183.867661 292.0 184.877136 933.5672 185.873093 127.0 186.872849 194.0 201.834091 8273.989258 202.835846 779.473694 203.831375 5058.662109 219.844955 9332.282227 220.845093 774.998291 221.842392 6300.131348 288.198029 20.0 304.998505 31.0 335.948517 19.0 339.460083 17.0 355.101288 18.0 421.558105 20.0 443.447968 20.0 521.878052 24.0 671.60614 18.0 812.250732 17.0 END IONS BEGIN IONS SCANS=295 PEPMASS=257.81861 CHARGE=-1 COLLISION_ENERGY=0.0 51.039639 26.0 70.458031 44.0 75.152611 27.0 75.40686 30.0 79.389191 25.0 92.638351 38.0 101.746613 28.0 125.869461 35.0 126.121086 32.0 135.374084 23.0 140.957291 23.0 146.451004 34.0 166.864136 733.0 167.866333 139.0 168.862656 571.0 183.868103 178.0 184.873337 317.0 186.872269 310.0 201.834503 1681.0 203.831711 5419.337402 205.830597 596.0 219.845367 1970.121948 221.841919 5965.0 223.839767 1082.955811 303.051086 18.0 305.004333 18.0 305.052551 18.0 305.688782 17.0 309.839142 23.0 334.667938 18.0 357.993164 18.0 377.082947 17.0 393.700134 18.0 394.409027 22.0 397.923248 22.0 398.106567 20.0 418.228943 17.0 452.02121 20.0 466.905487 18.0 480.929962 17.0 494.662781 18.0 675.928467 18.0 999.053406 18.0 1022.583923 17.0 1027.635132 51.0 1069.131958 35.0 1134.874146 18.0 1170.425293 46.0 1183.268677 18.0 END IONS BEGIN IONS SCANS=296 PEPMASS=281.08741 CHARGE=0 COLLISION_ENERGY=0.0 51.936367 52.0 59.011635 118.0 71.012085 727.512512 85.02919 1156.0 87.007538 430.637939 99.043274 45.0 112.020309 94.0 113.023834 2702.683838 114.027367 164.0 129.018311 255.0 131.031723 93.0 139.00499 105.0 157.01355 76.0 169.014801 54.0 171.002365 44.0 186.07785 64.0 194.62114 43.0 195.120834 39.0 205.071075 393.0 206.070709 34.0 207.075073 48.0 209.077835 57.0 237.149841 26.0 249.061768 120.0 250.065811 39.0 307.479248 20.0 309.166107 27.0 331.807709 22.0 335.356995 18.0 343.057159 20.0 347.078491 21.0 354.127594 20.0 365.82016 23.0 377.080475 88.0 378.083649 37.0 379.081024 21.0 393.707733 23.0 404.098358 44.0 405.02655 24.0 415.375732 22.0 436.200897 28.0 437.287628 18.0 444.025726 18.0 451.099976 20.0 486.06662 36.0 489.092651 31.0 490.707001 26.0 497.752716 18.0 531.880554 23.0 533.139404 37.0 534.132874 18.0 542.023193 18.0 562.9646 18.0 567.303345 20.0 617.156128 19.0 617.924133 38.0 628.042847 18.0 628.116516 17.0 664.826599 18.0 666.070068 20.0 670.293335 18.0 699.706055 23.0 716.214539 20.0 717.6828 20.0 740.788757 18.0 750.230652 17.0 793.458435 20.0 803.40918 20.0 838.964966 21.0 876.17749 18.0 877.247009 18.0 883.116821 18.0 970.050659 17.0 976.169067 33.0 980.943298 18.0 1004.223694 18.0 1028.911255 29.0 1030.044678 20.0 1030.134521 18.0 1035.033203 32.0 1048.932861 22.0 1076.198853 18.0 1092.447632 19.0 1102.529663 24.0 1126.507935 38.0 1130.22229 17.0 1136.66626 18.0 1149.093872 24.0 1155.599854 21.0 1172.146851 25.0 1177.216919 23.0 1183.235718 24.0 END IONS BEGIN IONS SCANS=297 PEPMASS=567.13242 CHARGE=-1 COLLISION_ENERGY=0.0 57.463539 28.0 59.012955 37.0 71.010132 63.0 81.034401 35.0 89.025368 182.0 97.028862 77.0 101.025742 348.006897 113.025375 80.0 115.039474 62.0 119.033173 107.0 129.018127 89.0 143.035599 352.0 161.04454 432.0 172.94397 31.0 177.042068 50.0 179.055847 756.386169 181.063202 24.0 189.039658 311.0 207.051239 89.0 221.065628 418.498749 222.066635 36.0 224.827713 32.0 239.91983 21.0 245.068878 22.0 263.071869 52.0 279.066406 28.0 281.087311 88.0 282.095703 57.0 285.905426 23.0 289.666565 58.0 323.105438 44.0 323.977631 25.0 333.739197 45.0 341.112366 204.0 343.885803 28.0 344.976349 25.0 352.09967 20.0 369.102936 73.0 381.636292 24.0 383.120544 749.0 384.120117 94.0 387.113495 44.0 407.113251 68.838181 410.545593 36.0 411.117737 184.0 412.122345 32.0 421.172363 28.999998 432.0 53.0 451.848175 25.0 453.127991 130.007996 467.956329 40.0 471.137787 187.0 485.177032 34.0 486.135437 31.0 503.171875 162.846832 504.160645 49.845413 522.248108 20.0 524.384399 20.0 531.14032 32.0 533.317627 36.0 598.121521 20.0 962.792297 18.0 END IONS BEGIN IONS SCANS=298 PEPMASS=377.08542 CHARGE=-1 COLLISION_ENERGY=0.0 59.012943 1729.0 71.013252 2253.44873 73.028885 285.0 83.015358 287.0 89.024193 6851.674316 97.028198 351.0 101.024323 6197.0 113.02388 3250.525879 119.034332 4140.0 131.034012 716.0 143.034088 1467.0 149.044464 798.22644 161.044861 4747.40918 162.049423 335.39679 179.05571 15168.704102 179.119232 69.0 180.058487 1106.0 181.059998 244.0 202.92836 46.0 221.066299 2880.0 222.07135 335.0 223.101105 52.0 233.067093 115.0 245.078201 51.0 251.078873 514.0 261.968506 27.0 263.081604 139.0 264.32428 31.0 281.089966 147.0 292.677307 33.0 311.100433 106.0 323.097107 62.0 335.290497 41.0 341.108093 964.0 342.116913 69.0 343.122437 37.0 350.484985 90.0 414.080292 26.0 416.653229 26.0 424.241211 18.0 431.700897 18.0 447.933624 50.0 458.794861 17.0 493.863831 22.0 495.939178 25.0 502.223206 49.0 506.476288 17.0 512.371521 25.0 520.03418 21.0 535.027954 18.0 549.137695 18.0 561.556519 18.0 569.123352 18.0 574.903381 22.0 619.874146 28.0 620.801392 18.0 643.573059 18.0 650.007812 33.0 670.891296 17.0 694.022766 19.0 711.206848 18.0 731.173523 18.0 780.075378 18.0 788.715515 17.0 793.513062 18.0 809.410583 20.0 818.995178 33.0 824.774658 18.0 831.924377 50.0 836.098389 18.0 860.435974 30.0 882.968445 26.0 884.086426 21.0 901.063904 20.0 933.884277 17.0 964.539917 18.0 967.182556 17.0 972.070862 21.0 981.05896 19.0 987.128845 18.0 990.933289 17.0 1012.896667 41.0 1040.92334 18.0 1043.054932 20.0 1069.001465 31.0 1089.907227 52.0 1093.196411 18.0 1106.200684 18.0 1121.579712 18.0 1122.552734 18.0 1124.534668 18.0 1134.147461 22.0 1136.710327 28.0 1168.21167 25.0 1176.740356 23.0 1192.989502 18.0 1194.181885 18.0 END IONS BEGIN IONS SCANS=299 PEPMASS=127.05074 CHARGE=0 COLLISION_ENERGY=0.0 51.056976 54.0 73.040627 37.0 73.926292 44.0 78.612991 51.0 85.026527 34.0 89.124023 36.0 161.698807 22.0 161.790787 28.0 179.060562 51.0 191.020111 82.0 192.9375 25.0 199.81842 31.0 203.502701 22.0 204.885498 26.0 204.984421 24.0 210.663788 25.0 221.060257 23.0 233.802048 24.0 263.04895 25.0 270.322845 30.0 275.996521 20.0 282.565704 22.0 288.55484 20.0 298.260864 25.0 301.239075 20.0 314.11972 20.0 323.097534 20.0 330.086975 24.0 336.434021 22.0 340.061218 35.0 365.271179 23.0 374.334717 22.0 377.085968 22.0 379.082642 62.0 384.203522 41.0 387.114441 27.0 404.10498 20.0 411.15036 28.0 419.183167 18.0 423.62265 33.0 435.074799 17.0 443.08432 19.0 473.065979 20.0 475.143677 20.0 481.163239 58.0 487.177612 21.0 488.177399 18.0 489.189117 20.0 516.221008 18.0 543.794312 24.0 550.192444 17.0 560.543945 18.0 561.10321 22.0 596.561646 18.0 607.24823 21.0 665.172852 17.0 729.266479 19.0 783.237366 30.0 814.066895 19.0 817.292114 17.0 833.123657 18.0 840.263916 18.0 870.934692 26.0 979.688904 26.000002 988.209412 18.0 1007.306641 17.0 1015.017883 20.0 1092.262695 23.0 1103.09082 22.0 1125.626099 18.0 1129.050537 20.0 1149.24585 24.0 1182.399658 19.0 1182.867676 20.0 1183.272217 18.0 1184.862915 18.0 1195.368042 20.0 1198.253418 18.0 END IONS BEGIN IONS SCANS=300 PEPMASS=145.06138 CHARGE=-1 COLLISION_ENERGY=0.0 74.024376 1206.0 82.029823 394.0 84.045189 1340.0 85.029701 250.084869 86.0243 419.0 99.055725 324.0 101.072151 707.0 109.040398 3771.130859 167.793335 23.0 175.560776 29.0 178.415009 25.0 198.347122 34.0 206.850311 35.0 221.449829 20.0 225.555771 24.0 228.147614 24.0 231.048019 25.0 236.121994 23.0 251.084915 18.0 259.476105 22.0 261.463318 25.0 261.909393 18.0 273.580475 22.0 295.620087 20.0 308.900177 32.0 313.114014 37.0 313.758972 20.0 315.842682 24.0 318.526093 22.0 319.531677 20.0 352.825256 18.0 364.696136 75.0 387.491394 23.0 402.898132 18.0 426.993805 20.0 430.114166 21.0 431.073975 18.0 435.448822 22.0 441.227631 18.0 450.911865 17.0 466.81424 23.0 487.173035 35.0 494.401917 21.0 596.201599 18.0 612.489258 36.0 677.230042 35.0 754.31897 18.0 863.940918 25.999998 930.161926 18.0 985.33374 22.0 1016.503052 26.0 1020.575989 20.0 1057.292725 56.0 1068.183716 26.0 1130.584351 18.0 1146.104614 18.0 1162.301147 25.0 1182.668335 20.0 1197.368896 23.0 END IONS BEGIN IONS SCANS=301 PEPMASS=313.11249 CHARGE=0 COLLISION_ENERGY=0.0 55.660759 37.0 67.030426 23.0 74.021637 43.0 84.04483 153.0 85.037262 51.0 86.024727 30.0 101.072433 142.0 109.0401 616.0 127.05127 2799.0 128.035568 539.557861 145.061676 10655.313477 146.064484 647.916626 150.972717 50.0 155.913589 62.0 156.891891 83.0 159.912704 79.0 167.001328 77.0 167.046127 117.0 205.089691 20.0 207.947876 18.0 222.953278 40.0 224.95369 18.0 226.954788 38.0 241.938354 38.0 251.936722 33.0 255.016998 33.0 255.452271 20.0 266.139526 19.0 270.930023 41.0 275.88678 25.0 338.970306 18.0 421.99942 20.0 439.203644 18.0 449.588257 19.0 END IONS BEGIN IONS SCANS=302 PEPMASS=487.17755 CHARGE=-1 COLLISION_ENERGY=0.0 59.013901 1321.0 71.013069 1947.0 73.028679 1889.819824 81.035088 330.0 89.023911 4352.0 97.028885 2144.0 101.023933 8328.0 127.050705 12115.663086 143.034134 3294.150391 145.061401 112381.765625 145.115982 5238.0 146.064499 8386.367188 161.045258 17735.0 162.04805 1320.911621 163.048508 180.0 179.055511 11685.924805 180.058228 792.0 181.059036 190.0 204.189102 31.0 215.055161 33.0 221.065933 11961.632812 222.06842 1149.095215 223.069443 117.0 233.064438 38.0 251.086075 84.0 263.076111 2306.969482 264.081451 144.0 281.086395 1841.0 282.091553 269.0 283.095123 154.0 309.016266 65.0 310.99765 58.0 341.108887 1454.0 342.114044 338.0 343.115906 194.0 345.051819 57.0 354.681 18.0 360.828552 20.0 363.702454 34.0 378.087463 18.0 381.895447 39.0 386.994232 21.0 404.09967 20.0 405.789276 17.0 408.150513 18.0 412.869904 36.0 524.703491 18.0 525.391174 18.0 542.65387 18.0 571.217529 22.0 596.672119 20.0 623.952148 43.0 697.611389 22.0 808.796997 33.0 829.297791 17.0 887.408264 17.0 1062.393066 41.0 1068.262817 26.0 1083.221558 18.0 1184.365234 18.0 END IONS BEGIN IONS SCANS=303 PEPMASS=341.10796 CHARGE=-1 COLLISION_ENERGY=0.0 59.012096 144.0 71.012779 448.0 73.028076 429.52243 85.026886 163.0 89.023857 422.0 97.027985 295.0 101.024361 747.0 113.023079 252.0 115.038292 104.0 119.037712 56.0 125.022331 78.0 143.034134 230.0 156.735764 23.0 161.04657 500.0 162.047028 25.0 179.052887 162.795334 180.002487 31.0 188.157883 30.0 202.092758 23.0 213.71254 22.0 221.06842 260.121796 227.627945 20.0 243.467545 20.0 249.517883 21.0 253.065765 30.0 263.037567 22.0 263.067139 22.0 264.393341 20.0 287.47879 23.0 289.505219 22.0 311.157104 20.0 368.934601 20.0 372.32608 30.0 377.070404 19.0 386.566895 29.0 398.500824 18.0 402.646637 19.0 437.814087 18.0 439.574707 28.0 453.058136 17.0 467.552307 17.0 487.188995 25.0 488.195007 18.0 499.77475 18.0 535.9729 18.0 569.212402 20.0 594.02771 18.0 683.222412 44.0 684.22345 20.0 687.517456 23.0 715.182251 19.0 722.210205 20.0 829.311829 20.0 830.318359 20.0 1007.372192 18.0 1020.333374 20.0 1048.846191 20.0 1056.33374 18.0 1096.791748 18.0 1181.223755 21.0 1194.424683 18.0 END IONS BEGIN IONS SCANS=304 PEPMASS=85.02887 CHARGE=0 COLLISION_ENERGY=0.0 58.593758 27.0 61.045555 36.0 105.824677 38.0 121.279839 38.0 129.85347 38.0 141.607773 39.0 157.746323 32.0 158.657776 28.0 169.667694 50.0 190.256943 56.0 194.527939 31.0 199.298752 35.0 204.607513 22.0 228.53801 28.0 229.364578 29.999998 231.70314 24.0 232.661331 31.0 245.316498 26.0 257.365967 20.0 262.053741 20.0 270.142029 20.0 283.594391 20.0 285.52887 34.0 292.056671 22.0 307.651611 20.0 308.118988 25.0 311.055237 20.0 313.407166 43.0 325.80423 23.0 327.624084 22.0 350.626068 22.0 356.032074 20.0 366.105988 25.0 377.091736 31.0 379.068146 21.0 381.824371 25.0 404.114716 18.0 408.74527 22.0 420.135315 20.0 430.140442 20.0 431.110413 20.0 447.314545 22.0 454.205872 17.0 454.926025 19.0 460.057678 18.0 460.135712 23.0 492.052856 20.0 505.089569 17.0 507.482361 36.0 527.082886 25.0 533.84021 26.0 535.142456 18.0 553.06366 17.0 563.044434 33.0 601.330017 25.0 630.042908 22.0 679.283203 18.0 684.233398 17.0 705.214783 18.0 771.731384 18.0 779.556458 17.0 811.017578 20.0 822.279358 18.0 827.169617 18.0 828.607117 20.0 891.46106 35.0 897.300293 19.0 903.261353 21.0 979.077148 18.0 1003.633667 35.0 1007.55481 17.0 1029.310059 18.0 1034.74292 22.0 1051.741211 22.0 1058.160767 26.0 1072.635132 20.0 1073.291016 18.0 1083.286621 17.0 1115.220947 36.0 1119.633667 23.0 1126.748779 18.0 1135.214111 20.0 1140.217041 30.0 1141.142822 18.0 1161.786499 18.0 1164.129517 23.0 1167.179443 36.0 1180.766724 18.0 1184.753418 17.0 1191.268311 54.0 END IONS BEGIN IONS SCANS=305 PEPMASS=161.04506 CHARGE=0 COLLISION_ENERGY=0.0 59.255783 26.0 62.988659 28.0 80.242813 33.0 91.069756 32.0 95.355576 28.0 97.033653 35.0 106.358551 33.0 107.544273 29.0 115.77523 36.0 118.988091 39.0 123.344337 33.0 181.790359 97.0 205.570557 43.0 215.835938 24.0 221.438309 29.0 228.475052 28.0 235.001297 33.0 247.330078 27.0 250.8806 30.0 253.978348 30.0 254.220291 30.0 261.728851 25.0 263.653076 27.0 281.706055 25.0 305.350372 20.0 313.415588 18.0 314.747223 25.0 331.285583 21.0 337.651703 44.0 348.822418 22.0 351.434784 19.0 357.671356 24.0 375.19519 20.0 380.100372 20.0 384.709503 21.0 396.006073 19.0 447.902557 31.000002 449.240875 20.0 488.174164 19.0 661.105286 22.0 686.134949 20.0 721.175476 27.0 829.305237 22.0 904.351196 17.0 907.452148 27.0 1038.278076 18.0 1041.721802 17.0 1082.334717 27.0 1087.18689 20.0 1126.037476 17.0 1138.979736 18.0 1150.141602 18.0 1189.391357 20.0 END IONS BEGIN IONS SCANS=306 PEPMASS=179.0556 CHARGE=0 COLLISION_ENERGY=0.0 62.721935 33.0 64.273209 36.0 69.049095 34.0 73.326942 38.0 89.032402 45.0 98.003876 33.0 111.649529 29.0 112.966408 33.0 113.699646 32.0 131.843628 49.0 132.843597 37.0 145.063385 42.0 155.556519 24.0 203.020279 39.0 203.738235 18.0 208.7995 21.0 209.704453 36.0 213.560883 38.0 230.251221 25.0 252.449615 24.0 258.054016 18.0 260.433655 18.0 260.721771 40.0 267.968079 19.0 284.281219 20.0 300.193573 23.0 306.353912 25.0 321.848938 22.0 336.204498 34.0 340.056885 43.0 347.953949 24.0 350.140503 20.0 365.741547 28.0 377.081146 75.0 382.012878 19.0 385.236664 20.0 403.260132 23.0 413.118347 22.0 417.125336 48.0 439.550507 18.0 443.16626 20.0 462.234741 20.0 468.926971 20.0 481.162811 19.0 487.175446 63.0 494.667572 21.0 497.130096 35.0 526.008179 25.0 544.997986 18.0 558.391235 17.0 580.78949 21.0 683.232849 37.0 684.216736 29.0 700.938843 18.0 729.166992 21.0 745.199158 21.0 754.257446 17.0 803.166016 20.0 829.305237 17.0 829.590088 20.0 834.136292 23.0 836.065125 20.0 843.223633 18.0 953.173706 17.0 955.945679 42.0 990.086487 17.0 1029.248169 38.0 1043.196899 18.0 1050.298218 19.0 1090.173218 18.0 1113.269897 18.0 1114.107056 23.0 1121.280884 17.0 1134.112427 20.0 1157.669067 28.0 1158.14624 21.0 1165.373291 18.0 1175.091675 18.0 1180.096924 20.0 END IONS BEGIN IONS SCANS=307 PEPMASS=404.10376 CHARGE=-1 COLLISION_ENERGY=0.0 56.515846 38.0 61.987743 8298.0 62.812355 34.0 63.767075 42.0 83.751228 42.0 98.836136 34.0 101.023727 36.0 110.52562 28.0 134.018509 28.0 135.727783 34.0 141.459686 30.0 145.061752 326.0 168.272247 25.0 176.624054 34.0 179.054565 97.0 183.59436 24.0 184.543533 34.0 192.179001 36.0 206.870377 28.0 221.068405 96.0 229.066025 28.0 241.343521 27.0 246.616898 26.0 249.094009 26.0 255.212387 23.0 286.369995 27.0 287.977478 24.0 290.093506 29.0 297.038757 24.0 299.184296 25.0 304.023865 27.0 313.117676 80.354195 315.054474 59.0 315.085846 45.0 322.382751 27.0 341.110321 51.0 350.481262 40.0 358.090851 22.0 376.100128 22.0 377.077087 47.0 377.142456 18.0 468.622009 18.0 468.974426 18.0 473.918671 23.0 483.161163 18.0 487.177765 88.0 488.18631 57.0 503.150696 18.0 552.862732 18.0 571.09729 20.0 657.130188 22.0 676.268555 18.0 683.233276 57.0 769.340515 20.0 779.203735 17.0 799.971619 18.0 804.256042 53.000004 823.284546 18.0 829.299438 42.0 830.297791 20.0 848.793518 20.0 859.012939 26.0 869.312866 22.0 997.354736 20.0 1025.761108 26.0 1043.130493 18.0 1047.274414 20.0 1112.273193 65.0 1117.80896 21.0 1188.176636 26.0 1197.215942 26.0 END IONS BEGIN IONS SCANS=308 PEPMASS=683.22475 CHARGE=-1 COLLISION_ENERGY=0.0 71.011902 142.857712 73.028687 138.0 81.032684 75.0 83.01635 87.0 89.02433 284.0 97.02935 345.0 101.024689 1109.0 113.02343 125.0 119.035515 351.0 125.023476 103.0 143.036163 602.0 144.038208 106.0 161.045471 4252.0 162.048874 485.0 163.051712 37.0 179.055786 1689.0 180.058212 103.0 187.656555 25.0 211.076202 20.0 221.067291 954.225281 222.064392 35.0 223.077469 20.0 225.575089 30.0 243.131927 25.0 263.07547 529.0 264.084839 36.0 281.087433 392.0 282.089294 53.0 282.93689 23.0 294.208282 22.0 323.097412 34.0 330.035034 20.0 340.202026 35.0 341.110931 900.820862 342.111328 147.0 343.109039 40.0 399.033081 27.0 420.061615 50.0 421.055237 48.0 428.741791 17.0 431.605133 23.0 440.874603 19.0 480.078552 20.0 482.75592 25.0 487.182251 17.0 504.255829 20.0 539.100952 18.0 606.219788 29.0 623.214233 18.0 625.226868 19.0 1026.475708 34.0 END IONS BEGIN IONS SCANS=309 PEPMASS=533.13516 CHARGE=0 COLLISION_ENERGY=0.0 55.019356 104.0 57.036278 105.0 59.013081 87.0 75.00782 79.0 85.028862 9337.665039 86.033379 491.0 103.00325 161.0 105.015251 127.0 117.017113 42.0 129.019135 308.0 147.029633 1389.96167 148.027573 68.987305 150.055588 107.0 191.018967 27250.351562 192.023178 2043.0 193.03273 1982.167114 193.072403 179.972931 194.039017 79.0 200.963135 23.0 202.86174 20.0 209.342972 30.0 218.038345 43.0 219.04007 25.0 221.049927 27.0 255.095627 18.0 300.055023 20.0 320.074249 21.0 326.681793 17.0 386.105042 24.0 387.1987 30.0 397.461395 18.0 401.932617 18.0 415.83609 29.0 416.058563 27.0 423.820007 23.0 END IONS BEGIN IONS SCANS=310 PEPMASS=337.0767 CHARGE=0 COLLISION_ENERGY=0.0 63.191826 48.0 75.01001 53.0 85.029762 54.0 85.926514 50.0 89.027107 72.0 97.028412 66.0 102.032188 54.0 102.896507 52.0 113.029015 89.0 115.005219 194.0 125.023949 78.0 141.017426 102.0 156.07547 51.0 159.033615 49.0 159.618088 82.0 169.027649 42.0 174.014954 1378.415283 175.027069 200.160675 204.0177 33.0 204.551819 26.0 229.037125 44.0 234.858124 27.0 238.11055 28.0 238.302414 31.0 251.827942 25.0 277.063293 85.0 279.072937 25.0 282.642822 65.0 285.077148 40.0 295.09079 28.0 300.100983 24.0 316.157227 26.0 361.686584 20.0 374.44397 18.0 377.07486 19.0 382.134735 18.0 390.811096 19.0 404.11145 18.0 413.950653 18.0 417.66748 25.0 426.00946 21.0 444.576447 18.0 450.760895 17.0 451.114319 18.0 459.046539 18.0 473.148529 38.0 487.155273 24.0 520.334717 18.0 533.145203 21.0 540.077209 21.0 576.937073 28.0 580.823975 20.0 584.354492 20.0 593.144958 22.0 595.20282 18.0 596.244202 18.0 605.207703 18.0 615.436523 22.0 641.210327 18.0 663.211914 18.0 685.940002 18.0 697.840454 18.0 726.187744 26.0 750.833923 20.0 761.138733 17.0 826.45813 17.0 829.297424 30.0 1009.681091 22.0 1029.092407 20.0 1029.646973 19.0 1042.591187 18.0 1066.205811 19.0 1125.108521 20.0 1128.209229 42.0 1147.292603 27.0 1151.147583 25.0 1152.728882 17.0 1185.158325 22.0 1190.047974 20.0 1195.482788 23.0 END IONS BEGIN IONS SCANS=311 PEPMASS=285.08152 CHARGE=0 COLLISION_ENERGY=0.0 70.028984 63.0 71.022789 131.16481 72.008926 77.0 87.010788 27.0 95.025337 172.0 99.921051 45.0 113.034866 1948.0 114.019562 1197.484009 131.046051 4452.0 132.045837 226.0 133.01387 49.0 133.048767 87.0 153.026535 81.0 155.953384 37.0 156.885605 23.0 157.079636 21.0 172.031616 22.0 184.116455 24.0 211.874802 24.0 212.559723 19.0 214.055832 20.0 224.976181 70.479843 234.79364 18.0 241.673462 25.0 263.692413 19.0 322.730133 17.0 357.945129 20.0 450.899719 18.0 523.823608 23.0 848.788269 22.0 890.021912 19.0 END IONS BEGIN IONS SCANS=312 PEPMASS=131.04576 CHARGE=0 COLLISION_ENERGY=0.0 70.030128 215.004562 71.015976 46.0 72.008591 313.840393 72.031898 38.0 92.90239 60.0 95.02565 396.0 151.484909 28.0 153.07045 41.0 172.490723 21.0 186.597275 45.0 195.324036 36.0 207.031464 23.0 213.656693 20.0 216.024902 30.0 223.387283 31.0 231.829453 25.0 240.259171 22.0 264.585815 25.0 265.656006 21.0 266.271362 26.0 274.391846 20.0 285.09021 29.0 285.637512 31.0 305.616608 25.0 313.172607 22.0 314.79187 34.0 316.22641 23.0 335.72876 26.0 337.070496 26.0 351.296906 45.0 352.312927 21.0 377.086975 28.0 420.785736 18.0 428.220642 18.0 439.118011 18.0 439.284271 18.0 459.145782 18.0 473.139282 23.0 473.178497 24.0 509.156921 23.0 560.741638 18.0 584.16571 17.0 602.008484 18.0 630.164368 22.0 662.228088 29.0 698.345581 22.0 808.121155 19.0 819.251526 26.0 929.092224 17.0 948.176453 18.0 991.303772 22.0 1005.205444 23.0 1030.053223 17.0 1031.044434 22.0 1041.070312 18.0 1062.232788 17.0 1089.125732 18.0 1105.34375 17.0 1112.157715 19.0 1118.337158 19.0 1119.034912 26.0 1136.417969 20.0 1141.183105 22.0 1161.621948 20.0 1170.657349 18.0 1173.337646 18.0 1198.210327 18.0 END IONS BEGIN IONS SCANS=313 PEPMASS=473.16222 CHARGE=-1 COLLISION_ENERGY=0.0 59.012806 129.0 71.013351 221.0 71.024254 61.0 72.008354 118.0 89.024223 506.0 95.026337 132.0 101.024803 488.0 113.034256 4359.094238 114.018745 1961.380005 131.045639 27536.566406 132.049515 1810.151123 133.014755 215.090988 161.044815 1013.0 162.042618 112.0 179.055649 1069.0 180.058212 72.0 181.053146 32.0 197.099319 40.0 212.94986 29.0 216.025452 39.0 221.06572 1125.0 222.07341 68.0 223.077133 44.0 235.045013 36.0 258.070099 38.0 259.534882 27.0 263.077057 233.0 264.080536 45.0 281.089142 65.0 285.079102 35.0 303.741943 36.0 310.998169 23.0 320.055359 27.0 332.096893 30.0 341.104736 214.0 343.119995 234.0 352.131775 22.0 354.688965 34.0 365.002869 20.0 377.078094 41.0 380.081757 27.0 382.904175 19.0 404.099396 40.0 405.121857 25.0 409.201263 30.0 415.566315 18.0 424.241333 23.0 428.079346 19.0 566.600403 27.0 581.037109 26.0 620.282288 19.0 636.18103 17.0 651.050964 20.0 669.849365 22.0 743.046997 17.0 757.017883 17.0 781.091431 20.0 807.190063 39.0 826.192444 20.0 828.160461 19.0 858.129517 18.0 887.115356 21.0 892.111938 19.0 953.447205 17.0 957.156189 22.0 959.248169 24.0 977.132446 18.0 1010.178833 20.0 1045.16748 18.0 1067.237671 17.0 1076.872925 18.0 1087.216309 19.0 1099.601685 29.0 1101.258911 28.0 1105.062744 31.0 1127.297485 18.0 1128.134155 18.0 1129.259033 22.0 1150.983765 24.0 1166.268188 18.0 1171.212891 18.0 1187.030396 21.0 1197.19751 22.000002 1198.303467 18.0 END IONS BEGIN IONS SCANS=314 PEPMASS=230.11407 CHARGE=0 COLLISION_ENERGY=0.0 58.030365 75.0 74.022491 309.0 74.094429 63.0 97.945946 651.771118 98.953957 308.0 99.952774 86.0 104.035263 1463.0 127.087509 941.0 129.937195 509.101288 141.937759 478.0 142.942383 489.0 143.949814 347.27832 157.931564 836.0 169.097168 405.0 186.934586 300.0 187.941635 366.0 188.105515 932.0 189.102814 120.0 252.079437 21.0 255.472977 24.0 258.780396 38.0 282.150787 20.0 294.567169 28.0 294.810181 23.0 300.536255 24.0 315.98407 23.0 317.693604 23.0 327.492889 33.0 336.232422 22.0 337.938171 21.0 351.053162 20.0 364.043182 31.0 366.127777 25.0 379.081482 19.0 390.642883 24.0 397.853394 29.0 404.093292 23.0 407.104431 20.0 425.144012 28.0 432.054352 17.0 443.085815 17.0 444.023743 18.0 452.107452 21.0 473.160431 40.0 489.216339 17.0 501.45462 29.0 512.66449 25.0 523.060852 51.0 582.201294 18.0 593.978943 21.0 602.072876 22.0 633.109253 26.0 689.413818 24.0 719.159485 18.0 732.980225 20.0 751.130493 18.0 831.245178 20.0 842.168823 22.0 855.309387 22.0 881.107727 20.0 899.089111 21.0 901.046997 26.0 955.125061 18.0 966.483521 20.0 986.211304 22.0 1016.136658 18.0 1045.251831 21.0 1051.175781 18.0 1053.237427 22.0 1103.299194 19.0 1105.161011 27.0 1109.967041 24.0 1119.166016 19.0 1119.996094 22.0 1144.722778 20.0 1150.258179 18.0 1159.09668 47.0 1163.567383 26.0 1167.143921 19.0 1179.677612 29.0 1198.708252 18.0 END IONS BEGIN IONS SCANS=315 PEPMASS=85.0288 CHARGE=0 COLLISION_ENERGY=0.0 52.880943 28.0 57.931229 28.0 60.116714 43.0 61.474892 39.0 107.189934 29.0 118.399139 55.0 122.954231 27.0 139.743393 28.0 143.964874 27.0 152.702423 40.0 177.0271 49.0 178.125107 68.0 192.309998 37.0 193.423279 29.0 198.813187 48.0 208.975586 27.0 211.819733 39.0 212.989624 43.0 216.024414 58.0 236.593796 43.0 239.493988 20.0 256.27594 22.0 265.953705 28.0 272.996552 27.0 281.259644 22.0 283.761292 22.0 292.71756 26.0 301.68512 22.0 307.987701 20.0 328.611145 25.0 331.469971 24.0 340.7164 21.0 345.000977 26.0 361.948547 18.0 371.808716 19.0 373.324402 24.0 388.515442 20.0 389.977051 38.0 395.086395 25.0 404.108673 19.0 405.033783 19.0 405.375488 20.0 415.142212 18.0 415.948151 30.0 446.482452 18.0 473.161591 17.0 477.107605 19.0 487.190582 51.0 501.017181 18.0 506.540405 18.0 533.127563 47.0 548.113464 18.0 580.067749 17.0 667.451416 25.0 669.115051 22.0 761.468079 25.0 781.087952 19.0 819.203918 21.0 819.295227 29.999998 832.682251 23.0 969.175354 22.0 970.015442 33.0 987.217285 19.0 999.980835 18.0 1003.094727 18.0 1014.985779 20.0 1029.377075 19.0 1034.277954 17.0 1036.68811 21.0 1058.688477 20.0 1108.245728 20.0 1126.27063 17.0 1141.299438 17.0 1157.80542 22.0 1160.314331 17.0 1161.431152 20.0 1172.237549 28.0 1175.588867 20.0 1184.313354 19.0 END IONS BEGIN IONS SCANS=316 PEPMASS=231.05892 CHARGE=0 COLLISION_ENERGY=0.0 74.02433 832.468384 82.026131 39.0 85.943657 95.0 97.946548 480.0 98.954063 349.0 99.946304 41.0 104.034676 3354.0 105.038818 308.0 127.088989 296.0 129.937302 211.0 141.937546 217.0 142.943375 340.0 157.931046 398.119873 169.093475 75.0 185.935226 77.40126 186.93338 362.0 187.940231 222.0 188.103897 206.0 201.048172 33.0 272.519012 26.0 274.342773 20.0 276.819672 18.0 282.883606 18.0 298.028931 24.0 336.522156 50.0 361.801025 20.0 363.685272 27.0 386.708862 21.0 395.522705 18.0 408.941589 20.0 466.998108 17.0 476.002686 23.0 519.798401 20.0 540.420654 22.0 559.169983 18.0 579.573547 18.0 680.670471 26.0 1065.196045 24.0 END IONS BEGIN IONS SCANS=317 PEPMASS=314.12433 CHARGE=0 COLLISION_ENERGY=0.0 57.753902 35.0 65.133606 32.0 75.59613 29.0 85.028641 95.0 86.033333 41.0 95.983025 41.0 104.035385 70.0 106.760918 34.0 115.449753 34.0 122.037781 260.0 123.043144 42.0 145.061829 46.0 152.071548 4040.286377 153.072937 480.0 187.945099 36.0 189.016647 57.0 189.089371 61.0 191.019409 72.0 208.122391 23.0 211.067657 53.0 223.046066 28.0 224.901505 23.0 235.178558 24.0 239.567535 54.0 256.012909 19.0 257.099182 18.0 261.164001 25.0 261.903259 18.0 280.687408 20.0 294.031647 21.0 359.693207 18.0 363.098236 24.0 365.139008 18.0 378.095642 25.0 390.129211 25.0 393.02951 20.0 404.105591 22.0 405.774323 18.0 417.215576 27.0 419.021088 17.0 427.715515 18.0 450.163086 28.0 487.165283 24.0 493.979736 20.0 503.272827 32.0 511.254669 19.0 518.785767 43.0 534.123291 18.0 539.131409 22.0 549.169128 18.0 618.120972 20.0 632.213318 20.0 635.302307 17.0 636.63147 28.0 637.059387 30.0 648.112244 18.0 651.157166 24.0 660.5578 18.0 679.014099 18.0 717.917236 19.0 731.015503 18.0 803.18689 17.0 806.114685 20.0 819.993591 17.0 844.114746 18.0 859.085327 22.0 872.166382 20.0 874.883179 18.0 903.048157 17.0 913.718445 18.0 931.269531 65.0 946.078613 17.0 959.490051 23.0 975.116028 18.0 1000.161926 24.000002 1026.116333 30.0 1026.558716 20.0 1053.764404 18.0 1099.171143 20.0 1109.098633 20.0 1146.685425 17.0 1181.633545 18.0 1193.657471 20.0 1197.66394 18.0 1197.722534 18.0 END IONS BEGIN IONS SCANS=318 PEPMASS=446.15105 CHARGE=-1 COLLISION_ENERGY=0.0 59.014057 564.0 71.013367 700.0 73.029381 626.0 74.024101 716.0 89.023804 1522.0 97.029282 782.0 101.024445 2258.848145 104.034988 18833.306641 105.036171 869.026855 113.024162 1806.89502 119.034233 1034.0 143.03447 991.0 161.045364 4749.0 162.048996 388.0 163.049484 61.0 179.056366 3229.0 180.059753 97.0 197.584229 60.0 221.06572 4097.0 221.314056 38.0 222.069962 330.0 223.077133 61.0 242.567184 28.0 249.016525 34.0 263.076447 817.0 264.09021 44.0 265.184235 33.0 273.832825 48.0 280.779633 28.0 281.089233 482.0 323.100555 72.0 324.954254 23.0 331.379333 22.0 341.108795 483.0 343.128815 471.0 348.951233 23.0 353.232269 28.0 354.985809 18.0 356.005249 18.0 360.059875 41.0 379.096069 31.0 385.249481 22.0 408.21402 20.0 411.804108 26.0 466.868469 17.0 511.111969 18.0 574.304993 18.0 596.959839 18.0 642.261719 17.0 659.248352 22.0 679.633179 18.0 809.847656 19.0 1004.533997 19.0 1030.275635 22.0 1055.02478 21.0 1172.138062 25.0 END IONS BEGIN IONS SCANS=319 PEPMASS=369.12982 CHARGE=0 COLLISION_ENERGY=0.0 72.008102 76.0 73.029442 40.0 75.006851 47.0 80.057785 51.0 94.91111 59.0 99.092674 20.0 104.034821 71.0 131.04332 153.0 142.066299 257.0 144.041275 115.0 145.052643 150.0 146.058914 136.0 158.06076 593.0 169.076553 1773.0 170.060852 1014.326721 181.077881 369.0 188.07106 302.236847 199.087448 1556.0 200.072525 92.494751 200.094742 143.505249 202.050629 252.0 211.088562 157.0 216.990295 76.0 249.087387 111.000008 250.098709 39.0 253.094681 42.0 260.976837 38.0 261.096832 97.0 262.996429 54.0 279.096069 121.0 301.203888 31.0 303.164001 30.0 306.912537 20.0 534.842102 18.0 882.543457 34.0 END IONS BEGIN IONS SCANS=320 PEPMASS=341.10796 CHARGE=-1 COLLISION_ENERGY=0.0 59.012417 371.0 71.01329 945.0 73.029236 1043.272583 83.013763 290.0 89.023811 1004.846619 97.028748 1059.0 101.023209 1342.0 113.023788 730.0 115.040215 271.0 119.032623 328.0 131.033707 196.0 143.035461 595.0 161.045532 931.0 162.043961 42.0 163.06488 37.0 179.056824 579.0 180.058182 36.0 181.070206 31.0 203.063416 33.0 204.32991 18.0 218.019043 20.0 221.069092 575.0 223.07605 19.0 229.216278 21.0 256.64502 26.0 263.070129 20.0 278.633209 20.0 280.033905 18.0 294.98877 25.0 297.145477 20.999998 305.64682 39.0 321.080658 18.0 376.366577 30.0 378.702515 18.0 422.932953 25.0 423.188629 18.0 425.30545 20.0 436.020294 18.0 440.064514 42.0 441.534821 35.0 610.942383 24.0 873.26825 19.0 1163.834717 22.0 END IONS BEGIN IONS SCANS=321 PEPMASS=161.0451 CHARGE=0 COLLISION_ENERGY=0.0 58.02113 41.0 67.446945 50.0 73.02961 130.0 87.010971 48.0 90.810051 39.0 91.574554 43.0 100.595161 36.0 101.025063 56.0 121.383667 30.0 129.799164 41.0 131.01416 38.0 133.016968 38.0 191.026505 61.999996 202.591705 29.0 207.689987 31.0 208.298096 29.0 208.558456 25.0 209.013214 31.0 226.047775 40.0 254.678619 21.0 260.983551 29.0 270.351898 21.0 284.515167 22.0 286.091797 26.0 291.939484 23.0 308.252167 21.0 310.021454 22.0 312.389954 21.0 326.514771 28.0 341.116882 33.0 348.774445 20.0 350.901764 22.0 361.090668 50.0 366.067688 21.0 368.248077 21.0 371.856415 33.0 388.003387 26.0 404.097015 20.0 404.477753 18.0 425.18158 52.0 436.908752 24.0 437.961609 20.0 446.155304 20.0 473.161591 20.0 485.001312 20.0 488.223907 18.0 488.40976 20.0 490.566193 78.0 494.341705 18.0 518.19043 20.0 549.168945 21.0 634.782898 18.0 643.151917 18.0 650.205566 19.0 665.223022 30.0 683.205933 29.0 719.191833 20.0 769.182556 20.0 800.168274 20.0 822.134644 20.0 854.629944 20.000002 859.30542 18.0 863.219238 38.0 868.562073 18.0 891.777039 18.0 921.133423 30.0 960.781006 41.0 965.628906 18.0 1004.219482 18.0 1014.26532 18.0 1029.293091 18.0 1042.24292 29.0 1043.259277 20.0 1049.315063 18.0 1069.675293 39.0 1093.234741 25.0 1096.322388 18.0 1105.338745 25.0 1121.788086 18.0 1141.259644 18.0 1146.168213 17.0 1161.423218 21.0 1182.523071 24.0 1194.187256 29.0 END IONS BEGIN IONS SCANS=322 PEPMASS=683.22474 CHARGE=-1 COLLISION_ENERGY=0.0 59.014141 379.0 71.012573 833.371765 73.029022 1066.35022 83.013245 307.0 89.023315 2239.807861 97.028831 1406.0 101.023857 4942.688477 113.023598 684.998596 115.03997 444.257385 119.034805 1320.0 131.034866 334.061279 143.034622 3201.0 161.045135 20577.0 162.048935 1390.984253 163.049759 321.0 179.054886 10238.322266 180.060211 719.0 181.062012 201.0 210.671539 24.0 221.066162 5055.782715 222.069763 408.0 223.074066 73.0 245.071259 24.0 246.025024 28.0 251.071564 42.0 263.077087 2425.102051 264.080963 225.0 281.087738 2281.0 282.090576 328.0 283.090637 48.0 323.093109 91.0 324.002899 21.0 340.206085 68.0 341.108185 5741.0 342.108826 608.019958 343.125916 120.478554 371.116058 18.0 375.881805 19.0 376.550903 17.0 415.77124 31.0 418.927582 28.0 425.294159 25.0 425.998352 17.0 443.122467 18.0 446.963531 18.0 503.153351 75.0 573.65625 18.0 598.396729 18.0 606.189941 18.0 623.207764 102.0 640.960938 20.0 644.613159 18.0 706.112732 27.0 723.154846 31.0 807.395752 18.0 847.585388 33.0 866.751404 45.0 922.985962 26.0 1140.673706 22.0 END IONS BEGIN IONS SCANS=323 PEPMASS=404.10387 CHARGE=-1 COLLISION_ENERGY=0.0 61.987759 10890.0 62.792061 43.0 62.982876 78.0 63.991905 68.0 69.768967 36.0 76.42659 44.0 101.023369 28.0 114.575508 28.0 119.033463 44.0 120.086937 23.0 130.931061 26.0 144.125015 27.0 155.578613 29.0 165.887344 29.0 176.148163 36.0 179.047333 24.0 185.704865 23.0 189.968689 28.0 205.062866 44.0 220.581009 20.0 221.649521 20.0 224.986969 24.0 225.203522 27.0 247.147583 23.0 254.878357 19.0 260.263641 27.0 263.074829 23.0 263.5336 23.0 279.615784 22.0 292.566864 19.0 305.057861 20.0 309.755859 22.0 316.187531 22.0 316.279449 21.0 322.046753 22.0 330.860687 24.0 367.139008 21.0 371.629089 20.0 379.227142 21.0 445.009064 83.0 452.889526 22.0 453.718079 27.0 459.270966 18.0 485.406281 18.0 488.154266 18.0 509.336884 18.0 517.597839 24.0 556.326233 18.0 556.97876 21.0 607.234009 19.0 611.949646 27.0 647.845825 18.0 680.494141 18.0 683.220825 44.0 685.231262 42.0 735.499023 18.0 841.733398 18.0 844.194275 19.0 886.223389 17.0 894.479004 21.0 898.755798 18.0 934.171143 21.0 988.066345 20.0 999.873535 18.0 1025.290161 24.0 1025.372559 22.0 1027.346558 18.0 1047.79895 21.0 1098.874756 21.0 1099.38208 18.0 1112.16748 18.0 1147.759399 22.0 1176.711914 29.0 1195.395142 20.0 1197.169556 21.0 END IONS BEGIN IONS SCANS=324 PEPMASS=377.08532 CHARGE=-1 COLLISION_ENERGY=0.0 59.014145 162.0 71.012505 174.0 73.028221 155.0 89.024254 412.0 95.022087 52.0 97.030693 260.0 101.023354 1153.0 113.025398 144.0 114.949097 81.0 119.035095 462.0 131.033112 64.0 143.034637 272.0 158.940475 59.0 161.045242 1395.0 162.047958 171.0 179.056 916.0 181.078674 38.0 188.953659 36.0 202.924026 36.0 203.934296 50.0 215.013901 22.0 221.06575 1665.0 240.475906 24.0 245.283096 51.0 256.763855 22.0 263.078094 243.0 270.865906 22.0 271.98288 35.0 281.088593 225.0 282.08905 37.0 301.883057 22.0 302.099335 26.0 341.112915 54.0 342.119019 21.0 343.123108 197.0 344.128662 48.0 453.692749 21.0 524.201843 24.0 548.521179 18.0 561.582092 17.0 712.237122 18.0 1185.293213 18.0 END IONS BEGIN IONS SCANS=325 PEPMASS=221.06585 CHARGE=0 COLLISION_ENERGY=0.0 59.013695 232.0 71.012932 294.0 73.028374 132.0 83.013718 100.0 85.030655 168.0 95.015549 95.0 100.978493 23.0 101.02433 408.0 113.022552 145.0 122.063339 26.0 131.032608 41.0 143.898346 38.0 159.031372 73.0 161.913864 18.0 177.040421 24.0 178.996277 20.0 179.073151 18.0 184.432404 26.0 309.385345 26.0 340.997375 18.0 359.395325 20.0 361.892792 22.0 426.711548 19.0 502.299896 18.0 650.17804 20.0 END IONS BEGIN IONS SCANS=326 PEPMASS=179.05543 CHARGE=0 COLLISION_ENERGY=0.0 52.536495 32.0 71.048752 48.0 75.007881 196.0 75.877647 51.0 87.009949 50.134678 97.028595 49.0 119.967506 24.0 122.954178 22.0 125.027679 21.0 132.972397 56.0 134.985992 40.0 143.036255 27.0 201.768784 18.0 211.965393 29.0 213.431931 21.0 219.657181 21.0 222.643402 19.0 230.511292 18.0 265.547546 19.0 268.108124 20.0 276.453583 22.0 281.66275 53.0 281.713043 18.0 295.705566 19.0 313.399902 19.0 393.508545 35.0 432.43515 28.0 444.035126 30.0 460.6875 19.0 480.819824 17.0 505.467316 17.0 521.067017 52.999996 632.752197 30.0 737.303345 18.0 END IONS BEGIN IONS SCANS=327 PEPMASS=102.05555 CHARGE=0 COLLISION_ENERGY=0.0 63.089947 31.0 68.934669 30.0 73.507996 26.0 140.368301 66.0 153.306 22.0 167.072769 23.0 172.569031 21.0 191.64679 30.0 192.910767 29.0 193.024139 23.0 200.239517 38.0 203.260452 27.999998 203.659698 24.0 215.776154 29.0 231.427933 28.0 231.556259 29.0 252.348053 24.0 261.209473 22.0 268.764404 23.0 270.975861 20.0 275.592316 22.0 298.634796 27.0 305.246307 29.0 305.343414 18.0 310.161804 22.0 328.210846 21.0 336.38559 19.0 386.702698 18.0 423.067078 22.0 476.774536 18.0 488.162872 52.0 500.366364 26.0 515.849854 18.0 556.45636 17.0 640.184753 53.0 784.440308 30.0 841.157654 25.0 994.207092 18.0 1015.240234 18.0 1023.284058 17.0 1024.301514 47.0 1053.196777 17.0 1079.81311 20.0 1087.917114 18.0 1090.20459 27.0 1125.274292 18.0 1158.146851 18.0 1166.731812 21.0 1177.296875 18.0 END IONS BEGIN IONS SCANS=328 PEPMASS=128.03483 CHARGE=0 COLLISION_ENERGY=0.0 59.173443 40.0 59.496307 43.0 61.07925 39.0 67.814308 33.0 82.108887 40.0 82.644684 54.0 150.149261 26.0 164.760483 28.0 168.616547 30.0 171.373047 34.0 172.777863 27.0 197.758987 37.0 200.240067 45.0 220.512436 27.0 226.099899 48.0 230.658661 38.0 233.901138 26.0 236.879303 25.0 250.822495 24.0 261.035065 27.0 274.92218 30.0 280.700592 25.0 287.749969 33.0 292.640564 22.0 300.817719 18.0 322.718414 24.0 322.890381 18.0 324.835327 18.0 336.916779 17.0 337.501923 18.0 353.03363 20.0 362.877747 17.0 366.434021 27.0 386.755432 19.0 400.539612 20.0 419.007812 22.0 456.477936 23.0 465.073456 30.0 468.842285 52.0 488.163727 37.0 505.299805 22.0 510.139465 18.0 520.404785 17.0 528.079346 31.0 529.411072 18.0 570.580322 20.0 585.899414 18.0 616.764038 23.0 701.168335 18.0 703.138794 20.0 716.135193 18.0 721.094788 18.0 732.118164 17.0 793.206116 18.0 802.125488 20.0 807.151245 18.0 807.67926 18.0 813.000671 18.0 820.082947 18.0 827.625061 18.0 891.642761 56.999996 892.190063 19.0 902.143188 43.0 917.345032 18.0 922.990173 18.0 942.407349 18.0 960.222412 28.0 971.481323 30.0 993.127197 17.0 1027.076294 18.0 1030.214355 17.0 1042.146606 23.0 1055.192261 32.0 1070.448975 18.0 1077.237305 19.0 1080.202759 22.0 1082.379272 54.0 1083.126343 32.0 1102.190308 20.0 1127.329102 48.000004 1131.819336 30.0 1139.28186 24.0 1140.793701 23.0 1146.726929 19.0 1155.061523 17.0 1166.250732 20.0 1182.668701 18.0 1191.140747 18.0 1196.358643 18.0 1198.786743 33.0 END IONS BEGIN IONS SCANS=329 PEPMASS=852.26051 CHARGE=-1 COLLISION_ENERGY=0.0 56.589363 22.0 59.286022 26.0 65.895599 28.0 115.330254 28.0 129.360733 20.0 146.049988 51.0 166.885895 18.0 167.047913 20.0 168.027252 4724.0 169.005356 18.0 169.027985 300.0 169.158066 18.0 228.037125 18.0 236.051254 32.0 245.120987 17.0 258.06192 18.0 271.746857 18.0 283.096619 25.0 286.936646 28.0 303.753632 17.0 312.067688 42.0 321.129486 20.0 331.311951 19.0 348.084473 55.0 390.10257 103.0 420.103546 30.0 483.056824 21.0 510.141998 7750.0 511.146667 1371.0 511.464447 23.0 512.106506 42.797661 512.146118 253.377792 513.144958 129.0 595.705688 20.0 792.45874 23.0 794.50946 20.0 END IONS BEGIN IONS SCANS=330 PEPMASS=146.0454 CHARGE=-1 COLLISION_ENERGY=0.0 71.012825 60.0 74.024673 205.0 84.042244 103.0 85.029274 334.0 86.030716 40.504631 86.541054 30.0 102.055801 10548.380859 103.057762 533.830994 167.846786 26.0 175.255875 23.0 176.503967 35.0 178.649536 22.0 196.408035 33.0 228.220276 31.0 231.883575 17.0 256.355164 20.0 260.873566 18.0 278.064667 18.0 280.690918 29.000002 281.502167 18.0 282.998566 22.0 313.718445 23.0 354.470428 20.0 363.389374 32.0 533.365479 28.0 588.40918 27.000002 END IONS BEGIN IONS SCANS=331 PEPMASS=541.1171 CHARGE=0 COLLISION_ENERGY=0.0 78.958984 173.0 84.090538 21.0 88.761215 18.0 88.832275 59.0 89.021324 26.0 96.967911 39.0 111.040245 19.0 131.045609 20.0 152.994873 3606.0 153.997513 143.0 171.008286 362.770416 199.000534 7247.0 199.038254 43.0 199.974716 43.0 200.002396 322.0 201.00621 77.0 201.029663 38.0 201.113785 31.0 202.223694 25.0 212.571594 25.0 253.984512 41.0 259.99292 48.0 269.983215 20.0 275.991516 18.0 294.961365 20.0 341.103058 25.0 353.828949 28.0 369.011139 20.0 395.025299 47.0 396.037018 60.0 407.285767 17.0 412.030487 29.0 420.052612 20.0 492.41214 20.0 END IONS BEGIN IONS SCANS=332 PEPMASS=223.04526 CHARGE=0 COLLISION_ENERGY=0.0 59.01371 224.0 71.012238 255.0 75.007149 500.678345 85.027885 215.0 87.008957 224.0 99.007645 273.0 107.217369 50.0 117.05024 49.0 129.018906 536.0 130.019806 102.0 130.906052 46.0 141.018234 60.0 159.029236 164.0 160.173889 41.0 177.04187 809.0 179.057861 310.0 180.231186 40.0 195.051804 185.0 253.798508 21.0 260.768005 21.0 267.779572 22.0 278.425171 25.0 281.092133 21.0 296.374359 32.0 301.681458 21.0 308.191681 17.0 312.162811 20.0 337.423309 21.0 339.946747 36.0 373.810211 18.0 396.596344 26.0 400.122559 20.0 409.441742 24.0 424.454742 23.0 435.561401 18.0 440.867371 18.0 488.155334 28.0 496.365784 27.0 511.140045 18.0 569.873413 22.0 590.444763 18.0 606.164368 18.0 610.036072 23.0 620.199158 23.0 630.119324 20.0 683.217346 18.0 700.174072 18.0 734.647766 21.0 830.87616 21.0 857.442383 22.0 874.253723 20.0 923.941162 17.0 1001.500549 21.0 1023.289734 21.0 1055.253052 18.0 1105.068237 17.0 1121.221558 18.0 1122.144165 18.0 1125.817017 21.0 1162.274536 31.0 1194.36499 18.0 END IONS BEGIN IONS SCANS=333 PEPMASS=488.16186 CHARGE=-1 COLLISION_ENERGY=0.0 56.049374 31.000002 71.009369 38.0 74.023842 59.0 82.025635 38.0 85.029488 151.0 87.009766 51.0 102.055214 17965.271484 128.034561 27189.0 146.04538 253034.0 146.100464 17654.0 146.180847 4010.0 147.048309 17893.390625 150.004776 33.0 150.100052 26.0 150.447159 22.0 152.046997 23.0 156.159317 28.0 171.955048 27.0 216.967728 34.0 218.990295 20.0 234.399155 27.0 246.130295 19.0 248.010071 18.0 248.809265 18.0 259.104614 21.0 270.921844 28.0 275.390076 25.0 276.470123 20.0 280.604126 35.0 298.913727 21.0 315.07135 18.0 341.113342 43.0 343.103088 17.0 357.155731 20.0 393.007965 18.0 395.028381 56.0 399.023773 23.0 420.906311 22.0 429.250061 18.0 544.866821 17.0 837.769409 18.0 994.723267 18.0 1025.315918 37.0 1097.819824 19.0 END IONS BEGIN IONS SCANS=334 PEPMASS=179.05555 CHARGE=0 COLLISION_ENERGY=0.0 51.956493 38.0 54.819485 51.0 59.014748 58.0 71.013168 83.0 80.966354 56.0 94.033188 40.0 107.40271 53.0 108.045731 53.0 114.279907 34.0 118.867195 48.0 146.044754 109.0 147.989075 33.0 152.231079 24.0 155.888077 34.0 156.442108 39.0 201.372055 25.0 207.266296 37.0 210.919662 25.0 216.944061 28.0 227.05603 51.0 243.675156 27.0 251.330078 23.0 256.752533 20.0 266.155182 23.0 273.319366 25.0 274.718384 22.0 294.73996 29.0 305.617828 24.0 308.622833 20.0 310.108856 20.0 323.891327 22.0 341.116089 28.0 344.653656 22.0 373.026093 18.0 377.08078 21.0 387.122681 17.0 398.70285 18.0 413.662231 29.0 429.100311 36.0 431.536804 18.0 435.312744 25.0 446.811615 18.0 488.167328 85.392212 509.378632 17.0 532.114563 18.0 539.985596 21.0 552.297363 22.0 566.237183 18.0 593.119202 18.0 605.150269 21.0 619.445435 18.0 652.461914 17.0 683.223389 20.0 717.251892 18.0 820.66095 34.0 858.235718 18.0 954.396912 18.0 999.519287 18.0 1024.323486 31.0 1031.303833 22.0 1074.356567 20.0 1085.345825 27.0 1098.861816 20.0 1099.365234 27.0 1100.850098 23.0 1136.2677 39.0 1170.788818 19.0 1173.303223 23.0 1184.910034 27.0 1194.393677 23.0 1195.693726 29.0 1198.848633 21.0 END IONS BEGIN IONS SCANS=335 PEPMASS=511.14301 CHARGE=-1 COLLISION_ENERGY=0.0 78.957863 1563.0 79.34269 18.0 80.09845 18.0 87.011795 26.0 96.969154 61.0 98.034233 22.0 100.08094 19.0 119.948341 113.0 124.973846 20.0 127.005173 65.0 127.075668 17.0 145.010269 19.0 167.009659 283.0 168.028366 618.0 169.026505 15183.352539 170.031418 528.0 171.031937 169.0 171.067139 113.0 247.058777 21.0 252.154938 18.0 291.580383 24.0 329.776947 22.0 341.108368 34.0 345.061768 23.0 347.889099 18.0 368.767578 27.0 373.074066 18.0 429.102753 25.0 440.174744 18.0 475.826569 18.0 484.986755 20.0 541.365417 18.0 663.466492 17.0 825.425476 18.0 END IONS BEGIN IONS SCANS=336 PEPMASS=533.13515 CHARGE=-1 COLLISION_ENERGY=0.0 59.013493 589.432251 71.012817 466.0 72.992584 872.0 73.028633 336.0 85.029007 9739.561523 89.023933 1270.0 101.024139 731.0 103.003571 1144.0 113.024689 1767.0 129.018661 696.0 131.034531 1502.478882 147.029266 1291.0 175.024689 715.0 191.01915 26976.691406 192.023056 2333.533936 193.034698 20464.087891 194.038925 1346.436768 195.044998 859.139771 200.574203 18.0 245.097427 20.0 277.700775 24.0 281.010986 18.0 332.043945 18.0 341.101807 46.0 342.116791 21.0 346.33963 20.0 358.122894 17.0 358.964722 18.0 395.012177 18.0 400.251404 19.0 404.105682 18.0 426.187653 20.0 484.315247 31.0 485.871033 20.0 486.114441 17.0 489.154083 17.0 489.193085 17.0 490.152618 19.0 611.30072 20.0 617.256836 17.0 652.144836 18.0 710.075745 20.0 1109.887573 18.0 END IONS BEGIN IONS SCANS=337 PEPMASS=467.11675 CHARGE=0 COLLISION_ENERGY=0.0 55.801693 21.0 71.016663 20.0 78.957916 842.0 80.962051 25.0 96.972107 20.0 124.008148 207.0 125.000275 6066.453613 126.005997 190.0 127.005104 60.0 128.033905 73.0 130.833786 28.0 157.517944 18.0 161.040253 19.0 194.662125 20.0 216.170227 23.0 220.125458 18.0 307.272278 33.0 323.738831 18.0 341.116821 35.0 360.145264 37.0 363.684601 22.0 377.200775 28.0 379.102386 36.0 387.114441 37.0 393.17215 21.0 403.067047 18.0 426.039734 18.0 END IONS BEGIN IONS SCANS=338 PEPMASS=377.08534 CHARGE=-1 COLLISION_ENERGY=0.0 59.013081 121.0 71.012451 262.0 73.02845 215.0 87.704193 49.0 89.022896 440.0 97.029373 145.0 101.023842 902.0 113.02565 272.0 114.950401 72.0 119.034637 350.0 131.034134 84.0 143.0336 375.0 158.942078 58.0 161.045319 1327.0 162.048538 129.0 178.498428 42.0 179.054626 690.162048 188.947311 59.0 202.932343 108.0 221.065781 1295.0 232.354828 28.0 234.452118 27.0 236.957367 50.0 242.679611 27.0 256.402863 41.0 263.075165 198.0 264.077209 64.0 281.091278 382.0 282.550507 32.0 284.689575 38.0 300.876617 44.0 341.105042 114.0 343.123871 130.0 344.864258 37.0 345.863373 47.0 346.868164 37.0 351.862946 27.0 355.962219 29.0 404.115173 19.0 407.103333 26.0 434.591919 31.000002 452.271759 19.0 486.308838 25.0 505.069824 20.0 506.144684 18.0 517.713867 25.0 529.085754 18.0 558.225464 28.999998 631.060364 19.0 641.772522 20.0 683.217529 56.0 684.26178 21.0 738.092041 21.0 850.820312 18.0 874.232666 24.0 910.931763 18.0 999.187256 18.0 1021.897278 24.0 1025.339722 18.0 1060.193359 18.0 1075.338135 23.0 1086.310181 50.0 1090.811279 22.0 1094.535278 18.0 1124.760864 23.0 1128.774658 20.0 1155.82251 20.0 1182.213867 20.0 END IONS BEGIN IONS SCANS=339 PEPMASS=431.10423 CHARGE=0 COLLISION_ENERGY=0.0 60.991425 95.0 87.008202 47.0 88.002922 135.0 88.987572 5226.0 89.022575 335.0 89.991676 121.0 101.027 52.743717 158.091904 20.0 159.89415 18.0 162.999527 27.0 175.019653 17.0 198.012573 20.0 218.392319 18.0 269.141541 18.0 305.998993 27.0 341.103699 53.459141 342.121368 20.0 343.113312 20.0 375.062744 22.0 636.829285 19.0 911.901489 20.0 END IONS BEGIN IONS SCANS=340 PEPMASS=719.20195 CHARGE=-1 COLLISION_ENERGY=0.0 131.033554 20.0 179.053497 18.0 198.7556 20.0 221.959335 20.0 236.656052 19.0 263.072144 18.0 341.112061 301.0 342.112976 40.0 344.914246 22.0 347.433807 19.0 347.687897 21.0 377.084869 10740.739258 378.089203 1381.0 379.082031 4276.0 379.872833 37.0 380.088715 208.0 381.08432 41.0 419.140106 18.0 504.997955 25.0 END IONS BEGIN IONS SCANS=341 PEPMASS=341.1081 CHARGE=-1 COLLISION_ENERGY=0.0 59.013241 4034.0 71.013504 5255.339844 85.029152 634.988831 87.009727 347.0 89.02401 10237.098633 90.02758 334.0 101.024361 8523.0 113.024551 4649.0 119.034698 6390.775391 131.034027 798.0 143.03569 1094.0 149.045288 855.0 161.045563 2249.0 161.863037 23.0 162.048294 73.0 179.056183 6342.46582 180.059952 530.0 181.061066 77.0 200.740494 25.0 210.66954 18.0 210.695892 35.0 221.070557 51.0 251.078262 20.0 251.569412 20.0 269.256226 18.0 277.670135 18.0 278.427429 22.0 281.084229 19.0 420.285095 18.0 607.545288 19.0 844.458923 22.0 END IONS BEGIN IONS SCANS=342 PEPMASS=387.11366 CHARGE=-1 COLLISION_ENERGY=0.0 59.013283 46429.0 71.01326 63392.0 85.029305 5600.464844 87.008324 6395.651855 89.023941 117668.523438 89.066765 6023.0 101.023911 113471.0 113.024216 65100.0 119.034576 90171.0 131.03476 16913.632812 143.034775 30621.503906 149.045395 14950.947266 161.045624 43754.449219 162.04892 3082.810059 179.055954 151776.0 179.11676 8815.327148 180.059921 13026.908203 181.060013 3437.263672 203.05983 107.0 209.069778 125.0 221.066666 791.0 231.050781 100.0 239.080963 159.0 249.062393 222.0 251.074905 174.0 252.6474 41.0 263.078735 193.0 281.087494 1596.0 282.090027 109.0 283.093445 41.0 341.109528 485361.96875 341.194305 35902.0 341.315247 12502.0 342.112946 94796.015625 342.19873 11892.510742 343.114441 27729.851562 418.564514 39.0 418.730499 45.0 419.646576 38.0 419.994293 39.0 420.164307 33.0 420.216553 65.0 472.287292 20.0 475.081604 29.000002 476.393036 26.0 476.59668 24.0 484.841187 22.0 486.068298 23.0 503.034363 28.0 503.389587 25.0 505.184296 44.0 524.005737 24.0 532.682983 29.0 545.840393 47.0 557.925476 24.0 560.477478 22.0 570.491516 40.0 571.181885 26.0 578.441528 30.0 578.848022 23.0 614.65564 21.0 615.56366 21.0 618.489319 51.0 630.571533 30.0 632.663391 32.0 647.359558 24.0 666.41156 25.0 670.971436 17.0 677.292603 20.0 682.435791 18.0 685.688232 21.0 690.961121 19.0 702.4505 20.0 716.611328 18.0 716.66748 18.0 725.805847 22.0 729.433411 24.0 751.323669 18.0 757.76825 20.0 758.471619 24.0 758.924438 18.0 765.090759 20.0 778.071594 25.0 830.356018 51.0 841.269104 36.0 843.482117 60.0 845.143616 39.0 847.008179 43.0 847.223328 38.0 857.360474 18.0 877.136597 19.0 891.067444 18.0 926.187622 18.0 927.797974 18.0 928.296143 40.0 963.538269 22.0 971.242859 18.0 1009.747986 19.0 1011.192993 24.0 1025.342163 18.0 1031.618408 22.0 1042.023071 20.0 1060.17627 19.0 1060.314697 27.0 1076.734863 20.0 1080.358521 18.0 1083.324829 18.0 1089.647583 18.0 1102.368652 20.0 1131.749512 17.0 END IONS BEGIN IONS SCANS=343 PEPMASS=683.22495 CHARGE=-1 COLLISION_ENERGY=0.0 59.01228 42.0 71.013046 202.0 87.007751 39.0 89.024033 495.0 89.386848 18.0 90.024117 45.0 101.026337 162.0 113.024147 112.0 119.032822 338.494324 131.036423 45.0 143.034424 79.0 149.044495 106.0 161.04509 327.198456 176.499222 17.0 178.936554 18.0 179.05751 1346.0 180.063934 21.0 221.062302 73.0 236.086273 18.0 239.988846 17.0 263.07962 62.0 271.085876 18.0 281.088989 20.0 282.081421 18.0 292.480286 30.0 298.148621 22.0 339.200562 101.0 340.20166 65.0 341.1091 9133.0 341.19931 49.0 342.112335 1479.0 343.112061 226.0 360.22699 17.0 439.767731 17.0 499.73703 18.0 512.145142 18.0 527.822205 22.0 558.713928 20.0 845.044983 18.0 END IONS BEGIN IONS SCANS=344 PEPMASS=390.12188 CHARGE=-1 COLLISION_ENERGY=0.0 59.012573 1624.0 71.013718 1225.0 73.018456 287.260345 89.024033 3571.900146 90.028648 415.27887 91.028557 931.0 101.02404 1678.152832 102.027534 681.0 113.024071 1186.0 119.034462 2452.530029 120.039139 533.0 121.039192 879.46051 161.044525 683.0 163.051514 415.999969 179.055786 2083.0 180.060242 1290.0 181.060364 2434.0 182.065628 240.0 205.96788 18.0 217.561691 30.0 270.863037 17.0 283.089203 22.0 339.279297 35.0 341.109222 1661.942749 342.110931 1225.0 343.113373 15227.888672 344.116058 2490.591797 345.118744 347.9245 356.972565 32.0 357.754852 20.0 488.152191 17.0 538.056824 17.0 538.094238 20.0 622.591553 20.0 END IONS BEGIN IONS SCANS=345 PEPMASS=729.23023 CHARGE=-1 COLLISION_ENERGY=0.0 59.013863 202.0 71.01284 343.869141 87.010857 42.0 89.024452 1435.0 90.029259 60.0 96.96125 201.0 101.023613 680.712036 113.023125 379.0 119.034966 1219.0 120.03476 83.0 143.034241 283.0 149.044937 276.0 151.051331 24.0 161.045853 626.498047 161.537048 36.0 162.049301 42.0 179.055222 3853.0 180.057571 334.0 205.333908 17.0 213.186493 17.0 214.465347 18.0 220.098541 17.0 259.893921 23.0 283.900208 18.0 341.107605 40476.0 341.192932 194.0 341.393738 40.0 342.111023 7472.455078 343.114258 1566.0 344.115753 135.0 387.013489 36.0 387.113312 33260.785156 387.204132 54.0 388.11795 5873.728027 389.118195 1090.0 390.122498 180.0 409.063568 18.0 429.507568 21.0 432.115662 20.0 439.076569 128.0 471.153992 27.0 485.228424 20.0 559.933899 52.0 660.661316 18.0 681.165649 22.0 683.223022 540.0 684.228027 217.0 685.224915 22.0 694.615784 31.0 757.540466 21.0 869.390137 27.0 1025.360352 17.0 1197.348145 18.0 END IONS BEGIN IONS SCANS=346 PEPMASS=446.15108 CHARGE=-1 COLLISION_ENERGY=0.0 58.897438 20.0 59.01572 21.0 74.024323 255.0 75.008926 39.0 87.004646 45.0 89.023491 36.0 103.001755 311.0 104.034676 5923.74707 105.018448 4147.593262 105.039398 343.569 105.61351 50.0 106.022278 182.406479 154.100784 20.0 158.04985 18.0 161.046677 20.0 172.39801 29.000002 188.948898 22.0 196.886505 22.0 205.000854 24.0 222.063263 18.0 222.443741 25.0 256.972412 17.0 341.106049 149.0 343.108582 30.0 349.216553 18.0 384.069458 18.0 END IONS BEGIN IONS SCANS=347 PEPMASS=473.16253 CHARGE=0 COLLISION_ENERGY=0.0 71.013092 43.0 74.025307 61.0 84.012482 26.0 87.047661 21.0 95.023598 59.0 99.007874 28.0 113.03476 797.0 114.020409 272.542542 115.002533 275.0 131.046585 5859.0 133.01384 2708.182129 133.048752 503.241547 173.009033 23.0 182.134796 18.0 257.936554 22.0 279.683136 30.0 298.821472 24.0 321.427063 43.0 341.105682 18.0 343.128296 60.0 344.125519 18.0 355.709808 20.0 383.652924 33.0 427.090729 20.0 428.00528 17.0 430.996063 39.0 617.254517 18.0 690.65802 17.0 839.159607 22.0 END IONS BEGIN IONS SCANS=348 PEPMASS=447.13742 CHARGE=0 COLLISION_ENERGY=0.0 74.025055 195.262817 75.00602 64.0 76.011932 20.0 84.542404 48.0 89.026703 80.0 91.308533 22.0 102.023552 25.0 103.003403 62.0 104.034317 3029.346924 104.95224 47.0 105.018517 5495.28418 106.022697 188.6409 150.020828 24.0 165.06102 20.0 167.950699 26.0 180.056778 19.0 181.07605 22.0 195.057465 26.0 210.980591 26.0 221.012955 17.0 222.172318 18.0 226.116257 20.0 235.094452 18.0 279.455505 27.0 280.961761 31.0 282.992065 18.0 332.513367 18.0 341.109467 123.0 343.122681 43.0 377.048218 25.0 382.999756 42.0 403.021515 25.0 627.843872 17.0 725.457275 23.0 END IONS BEGIN IONS SCANS=349 PEPMASS=404.10395 CHARGE=-1 COLLISION_ENERGY=0.0 61.987911 15827.0 62.150555 57.0 62.986717 78.0 63.991455 158.347504 71.011765 31.0 80.577545 40.0 105.292831 34.0 117.141403 26.0 119.036621 29.0 123.695839 49.0 123.88829 31.0 144.401169 42.0 155.11557 29.0 160.62085 21.0 177.48143 22.0 179.053436 41.0 190.133774 26.0 191.249359 27.0 201.270935 22.0 203.999207 24.0 216.509445 28.0 218.599854 22.0 222.150726 36.0 238.007492 30.0 250.368576 26.999998 252.674057 23.0 263.373383 30.0 265.204102 26.0 268.291107 24.0 268.871735 35.0 310.041809 20.0 310.446808 39.0 311.816101 22.0 327.105804 20.0 341.107147 178.0 349.178101 20.0 351.489929 20.0 367.093567 22.0 377.097015 34.0 381.451233 20.0 454.075531 36.0 479.997711 19.0 488.155121 19.0 489.087524 22.0 503.149841 41.0 510.153961 21.0 511.156281 18.0 526.105774 26.0 533.333191 17.0 544.809204 17.0 578.133667 24.0 598.342712 19.0 683.213928 44.0 720.125977 21.0 729.223267 18.0 736.117615 19.0 759.369507 20.0 852.278381 19.0 880.219299 24.0 887.22937 18.0 903.239319 21.0 928.314148 55.0 939.741638 20.0 966.435974 18.0 979.894531 20.0 1006.721252 23.0 1029.732178 18.0 1047.306152 18.0 1050.797119 22.0 1056.830322 22.0 1062.109497 29.0 1094.721436 20.0 1099.408325 19.0 1099.895752 59.0 1103.187378 38.0 1104.241699 18.0 1119.212402 18.0 1126.488892 24.0 1145.295044 19.0 END IONS BEGIN IONS SCANS=350 PEPMASS=179.0555 CHARGE=0 COLLISION_ENERGY=0.0 72.988213 20.0 73.027534 40.0 75.005463 41.0 83.556969 52.0 95.713203 20.0 95.979759 28.0 100.862534 22.0 101.993546 20.0 119.033966 24.0 123.972961 19.0 127.899689 28.0 134.986069 20.0 152.50206 26.0 212.446548 20.0 295.465698 23.0 302.360046 18.0 314.506958 30.0 315.189545 30.0 327.636841 17.0 337.319977 20.0 350.438538 28.0 353.145782 20.0 377.134186 22.0 381.687775 18.0 395.599854 19.0 425.662781 17.0 428.939453 18.0 452.006042 20.0 514.820862 20.0 617.492371 37.0 END IONS BEGIN IONS SCANS=351 PEPMASS=377.08523 CHARGE=-1 COLLISION_ENERGY=0.0 69.07325 34.0 71.014282 160.0 77.165466 22.0 87.004616 35.0 89.024261 231.0 96.376434 23.0 101.023689 289.0 114.947006 35.0 119.036072 222.0 120.038063 27.0 132.737808 25.0 144.966965 33.0 160.931 26.0 161.046143 120.0 179.055313 656.0 180.05806 42.0 188.953506 51.0 194.940414 38.0 202.92572 43.0 204.799271 23.0 206.313477 23.0 221.06752 364.0 222.070908 39.0 236.12175 26.0 251.083588 23.0 256.878387 18.0 271.858276 20.0 272.872314 21.0 281.083618 40.0 293.085083 20.0 304.936249 18.0 306.09668 25.999998 335.174927 24.0 335.867432 22.0 341.115051 20.0 342.113617 39.0 353.430603 39.0 356.967316 24.0 434.653503 37.0 465.317566 41.0 497.178833 22.0 512.77063 19.0 552.804565 18.0 598.265442 18.0 627.193359 25.0 646.720459 20.0 873.88147 17.0 END IONS BEGIN IONS SCANS=352 PEPMASS=214.04815 CHARGE=0 COLLISION_ENERGY=0.0 51.887917 47.0 68.824501 42.0 69.549927 41.0 78.958519 1248.0 79.278854 34.0 90.656075 33.0 101.014641 39.0 137.559509 31.0 140.011078 1352.0 141.011475 90.0 141.946747 33.0 146.045547 35.0 152.997147 393.0 165.312668 69.0 169.023651 27.0 169.908707 26.0 171.003082 36.0 240.709503 29.0 241.629547 27.0 251.482819 21.0 268.599884 18.0 276.037384 20.0 277.925385 34.0 294.227142 30.999998 304.422943 31.0 306.993866 18.0 310.62384 18.0 329.918365 33.0 337.345856 20.0 346.689117 20.0 359.292023 17.0 367.702759 20.0 375.548553 19.0 386.304962 18.0 424.993591 18.0 430.898285 18.0 435.452362 17.0 471.629852 34.0 481.10498 18.0 508.167023 19.0 521.111145 20.0 547.359741 17.0 562.27887 18.0 666.085693 17.0 807.594727 23.0 814.757874 18.0 849.511047 19.0 853.504578 59.0 918.030029 27.0 946.892822 23.0 1002.246643 32.0 1005.119202 18.0 1029.367188 19.0 1170.950439 23.0 1179.390381 18.0 1188.040283 21.0 END IONS BEGIN IONS SCANS=353 PEPMASS=306.07624 CHARGE=0 COLLISION_ENERGY=0.0 74.025688 148.0 82.029694 45.0 86.023636 77.0 87.049828 63.0 92.829445 41.0 99.055 280.0 127.050499 110.0 128.035461 980.0 135.054626 101.0 143.045929 1836.237305 144.045639 108.0 146.048294 161.0 153.063751 245.520966 160.007797 208.0 166.097717 91.0 167.045013 112.0 177.032608 92.0 179.04512 329.285706 210.08728 144.0 211.089676 27.0 228.345474 32.0 242.083084 38.0 246.284409 26.0 247.263184 47.0 254.08049 158.0 263.081696 25.0 272.086853 268.0 273.093201 52.0 280.973114 26.0 357.349304 26.0 357.439575 18.0 359.817352 21.0 359.840759 28.0 378.078735 22.0 382.242035 33.0 404.048767 18.0 404.112518 40.0 424.021637 34.0 425.839996 20.0 426.932129 18.0 427.385651 20.0 452.978882 18.0 473.067444 18.0 475.067993 18.0 476.573151 18.0 480.851593 22.0 514.349731 19.0 534.825317 18.0 538.624573 18.0 556.834778 19.0 637.151001 18.0 694.083679 20.0 694.770447 34.0 700.940002 18.0 921.151794 22.0 974.901428 21.0 1016.793701 22.0 1080.0448 18.0 1102.021606 20.0 1144.13147 20.0 1156.020752 20.0 1163.567505 22.999998 1175.527344 20.0 END IONS BEGIN IONS SCANS=354 PEPMASS=165.03985 CHARGE=-1 COLLISION_ENERGY=0.0 59.01228 44.0 74.01944 58.0 75.008629 240.0 75.770531 34.0 77.03952 46.0 92.344757 29.0 109.646263 31.0 118.983963 34.0 119.010826 27.0 119.906204 30.0 126.438324 40.0 219.221252 22.0 224.770691 42.0 227.356445 47.0 233.862808 20.0 238.095215 19.0 248.280701 23.0 250.696335 20.0 250.993546 18.0 251.37149 23.0 262.484009 18.0 294.395477 27.0 299.662659 21.0 310.153778 18.0 311.980713 17.0 335.199524 21.0 340.262451 22.0 341.86441 17.0 357.095367 20.0 359.642975 25.0 364.948761 20.0 377.077698 24.0 379.095398 22.0 386.132751 21.0 402.385712 29.0 402.750885 20.0 418.801117 18.0 428.811768 18.0 469.564026 19.0 481.935242 19.0 482.123505 18.0 482.657104 18.0 487.539948 21.0 495.866516 20.0 533.13269 24.0 534.916382 18.0 556.162476 21.0 653.304138 20.0 815.588379 18.0 820.897156 18.0 825.613647 20.0 878.608398 23.0 898.148682 25.0 902.023804 22.0 997.147705 31.0 1084.269287 17.0 1148.084473 18.0 1156.029175 20.0 1173.528198 18.0 1190.247681 31.0 1194.549805 23.0 END IONS BEGIN IONS SCANS=355 PEPMASS=179.0555 CHARGE=0 COLLISION_ENERGY=0.0 60.647587 39.0 62.720047 51.0 75.006538 78.0 77.037025 58.0 90.995674 60.0 92.991982 68.0 101.027107 64.0 113.029686 29.0 123.670265 35.0 132.042007 34.0 134.991638 45.0 136.984253 38.0 158.255844 36.0 200.794006 25.0 212.74205 24.0 217.408615 40.0 230.943878 24.0 231.678741 25.0 240.140472 25.0 254.003586 33.0 260.358978 26.0 262.064148 66.0 265.319946 22.0 277.117035 22.0 293.005249 38.0 304.500946 22.0 318.480591 22.0 321.68689 25.0 336.224915 19.0 341.105103 46.0 349.804382 30.0 353.197357 30.0 363.078156 21.0 367.900146 22.0 377.089844 17.0 378.090271 26.0 404.115356 19.0 414.593933 24.0 418.029083 29.0 426.749756 51.0 442.369354 27.0 443.057892 22.0 456.177094 28.0 465.233002 19.0 497.947327 29.999998 499.595154 20.0 510.452393 21.0 513.957947 18.0 524.526978 22.0 533.144653 17.0 544.121521 22.0 560.982971 44.0 579.595703 31.0 585.191162 21.0 585.852478 20.0 596.188171 18.0 597.026978 20.0 607.259399 17.0 611.165222 18.0 623.199402 31.0 637.095581 17.0 660.082825 34.0 666.645752 31.0 683.221985 22.0 684.288025 17.0 721.19165 24.0 729.32489 20.0 746.224854 20.0 809.125671 29.0 814.36908 18.0 823.067749 18.0 883.236267 19.0 986.103271 41.0 990.724731 22.0 1012.255066 17.0 1044.169922 20.0 1044.666992 18.0 1047.308105 29.0 1048.357788 22.0 1049.275146 20.0 1050.243652 20.0 1066.226562 17.0 1080.411865 42.0 1088.743286 18.0 1097.045532 19.0 1112.775513 20.0 1118.108643 23.0 1127.096436 18.0 1151.231567 22.0 1154.144287 24.0 1173.106201 18.0 1176.06604 22.0 1176.197021 25.0 1185.456909 55.0 END IONS BEGIN IONS SCANS=356 PEPMASS=404.10375 CHARGE=-1 COLLISION_ENERGY=0.0 61.093567 49.0 61.987713 5706.584473 62.428673 58.0 63.993416 58.0 80.845039 38.0 98.069832 33.0 113.187256 48.0 117.932007 29.0 128.748398 30.0 131.401535 26.085569 138.58313 26.0 145.453766 42.0 154.605286 26.0 171.792892 33.0 173.829315 25.0 173.925476 27.0 192.97438 39.0 194.041504 31.0 218.987335 26.0 220.260742 23.0 223.937576 27.0 227.109665 22.0 230.981033 24.0 234.721405 25.0 256.606659 22.0 262.926819 27.0 272.825073 33.0 278.351685 28.0 280.066498 26.0 293.123016 34.0 310.765594 20.0 313.983032 20.0 314.017334 28.000002 330.824219 23.0 334.800476 29.0 340.325653 28.0 358.978912 19.0 363.831696 52.0 374.527985 20.0 375.594147 24.0 425.790009 18.0 427.997681 22.0 486.992065 18.0 487.176666 20.0 500.962585 18.0 507.577209 17.0 533.142944 36.0 534.372986 17.0 543.097473 21.0 604.16925 59.0 605.167908 18.0 645.425232 20.0 672.629028 18.0 683.201904 17.0 691.807312 18.0 720.136047 17.0 734.533508 18.0 908.88385 20.0 964.227356 24.0 985.663391 23.0 1004.329407 17.0 1047.310547 22.0 1051.178833 18.0 1086.304199 45.0 1101.293823 44.0 1101.817261 21.0 1115.287964 20.0 1126.334351 21.0 1148.564575 18.0 1163.707764 22.0 END IONS BEGIN IONS SCANS=357 PEPMASS=341.10785 CHARGE=0 COLLISION_ENERGY=0.0 59.013649 506.0 71.013916 726.0 73.028336 204.0 85.029144 269.0 86.004257 52.0 89.022934 1045.261475 101.023933 1912.0 113.024933 543.0 119.035088 392.0 131.035553 260.0 133.019043 83.0 149.042374 91.0 150.041992 192.0 157.389069 29.0 161.044128 651.0 177.090179 25.0 179.055145 604.0 180.067001 307.736572 200.912918 24.0 205.27803 21.0 221.068726 733.315308 222.068024 68.0 222.094955 26.0 236.948685 25.0 251.08107 17.0 252.55069 30.0 270.550507 26.0 279.826813 18.0 284.420227 18.0 293.839691 27.0 305.104279 18.0 311.103821 40.0 374.544159 17.0 407.185638 31.0 422.089569 25.0 453.718353 17.0 460.079498 20.0 487.271667 18.0 604.893555 17.0 740.179565 32.0 804.029297 18.0 END IONS BEGIN IONS SCANS=358 PEPMASS=377.08508 CHARGE=0 COLLISION_ENERGY=0.0 59.013939 115.0 59.034058 26.0 71.01358 84.0 71.921585 22.0 85.061699 25.0 89.022942 322.0 101.023468 216.0 113.023972 98.0 119.034813 130.0 131.035675 86.0 139.589417 53.0 143.036346 57.0 152.055603 39.0 158.937622 54.0 161.046097 113.0 176.930145 29.0 179.055862 649.0 194.910782 25.0 202.930191 36.0 216.018524 18.0 220.001999 20.0 221.063461 186.0 226.011429 21.0 229.414154 25.0 251.075912 46.0 270.860046 41.0 271.448059 18.0 271.871704 23.0 281.090729 18.0 293.991608 28.0 308.154633 25.0 311.860107 20.0 341.486969 22.0 344.864471 35.0 345.860809 28.0 349.144745 22.0 406.317871 18.0 435.20932 30.0 450.597168 17.0 714.275024 19.0 1075.060669 18.0 1166.327271 25.0 1184.473877 38.0 END IONS BEGIN IONS SCANS=359 PEPMASS=566.15653 CHARGE=0 COLLISION_ENERGY=0.0 52.682415 34.0 57.502354 43.0 61.98793 798.0 66.922913 26.0 74.58905 26.0 76.847198 30.0 104.098282 46.0 106.459076 25.0 113.58226 25.0 114.659409 25.0 128.542252 31.0 149.690094 32.0 156.982101 27.0 161.042526 38.0 183.108032 22.0 183.326096 45.0 190.284225 22.0 199.730453 22.0 200.417221 20.0 209.0383 23.0 212.484756 20.0 213.147232 20.0 216.51123 22.0 223.048981 72.0 250.035431 26.0 251.003204 26.0 257.658966 22.0 258.232788 41.0 281.050262 23.0 282.19104 24.0 303.886322 38.0 318.224274 25.0 323.641968 30.0 335.000366 26.0 342.114258 42.0 344.030792 23.0 354.082031 26.0 354.692352 20.0 357.671875 21.0 362.592804 22.0 365.565186 29.0 386.994232 24.0 404.077484 23.0 404.110077 37.0 406.370148 20.0 414.832062 52.0 426.128601 19.0 441.13089 18.0 479.241516 32.0 490.029694 17.0 503.165344 45.0 521.173035 18.0 522.245178 23.0 540.141968 35.0 679.620422 22.0 686.159973 18.0 697.46698 17.0 705.209045 18.0 837.329468 29.000002 897.126953 33.0 958.436035 18.0 1043.966431 25.0 1099.109375 20.0 1116.570557 18.0 1146.619629 32.0 1161.237671 18.0 1165.819092 19.0 END IONS BEGIN IONS SCANS=360 PEPMASS=243.01755 CHARGE=0 COLLISION_ENERGY=0.0 59.013531 84.0 71.013824 75.0 79.956909 1115.0 80.96508 458.0 81.952629 92.0 89.023849 152.886826 112.822166 26.0 113.029343 49.0 119.024422 27.0 125.978027 26.0 126.161499 32.0 146.965027 25.0 154.413269 23.0 154.614395 23.0 178.916229 22.0 180.856812 27.0 183.966782 23.0 198.984802 26.0 207.182083 24.0 265.456238 18.0 276.661499 20.0 279.384094 19.0 299.065979 23.0 313.455505 18.0 332.675934 26.0 345.954651 22.0 366.845245 21.0 393.005157 20.0 443.375977 18.0 507.687683 24.0 519.525146 18.0 523.934204 23.000002 547.374084 19.0 550.82428 20.0 1007.91571 23.0 1038.670654 20.0 1077.272217 31.0 1136.218262 18.0 1148.125854 18.0 END IONS BEGIN IONS SCANS=361 PEPMASS=549.16651 CHARGE=-1 COLLISION_ENERGY=0.0 59.013714 255.0 71.013626 668.0 73.029724 667.364868 83.012962 262.0 89.02401 1013.0 97.028412 721.0 101.023529 2923.0 102.0271 199.835861 113.024231 597.0 115.039169 381.688507 119.033302 837.0 143.035995 1350.0 161.045288 10404.022461 162.047668 730.0 175.028778 40.0 179.055328 4069.377197 180.058777 273.0 181.058594 39.0 209.065674 38.0 217.751968 22.0 221.066757 2697.568359 222.070602 272.0 223.077896 29.0 246.09964 33.0 263.077179 917.0 264.080109 70.0 275.066681 32.0 281.088776 1241.0 282.091858 161.0 283.093842 43.0 322.074615 30.0 323.09494 63.0 329.087524 29.0 341.105103 1925.529785 342.109589 394.0 343.116211 119.0 368.78302 20.0 383.119171 4517.0 383.25882 20.0 384.123779 631.0 385.121552 188.0 387.15097 21.0 424.40213 43.0 425.128754 1355.0 426.1362 191.0 427.136963 37.0 443.140259 363.0 444.147766 91.000008 469.122559 17.0 503.162384 443.0 504.160706 215.0 505.170929 97.0 506.161255 19.0 506.444672 19.0 591.171875 43.0 609.170715 17.0 615.955688 18.0 759.678101 20.0 766.756348 26.0 1012.644104 18.0 END IONS BEGIN IONS SCANS=362 PEPMASS=566.15672 CHARGE=-1 COLLISION_ENERGY=0.0 53.498158 33.0 57.653839 51.0 61.987907 5399.305176 62.986885 49.0 77.934212 46.0 91.064812 52.0 101.02404 96.0 102.023422 40.0 113.023041 48.0 119.033157 71.0 126.956924 73.0 143.027847 39.927528 159.769684 38.0 161.045349 237.0 162.054062 45.0 179.059265 187.0 191.022156 62.0 195.782761 56.0 202.355545 26.0 208.407501 33.0 216.305481 25.0 221.065735 94.0 222.073364 69.0 230.038361 24.0 250.189972 29.0 257.570343 26.0 263.087006 22.0 268.599304 22.0 275.893036 25.0 281.087067 84.0 309.125763 48.0 326.587311 29.0 341.084076 29.0 341.106445 27.0 342.117859 23.0 349.058044 32.0 354.699219 24.0 361.372467 23.0 368.722107 23.0 372.092743 20.0 383.123505 169.0 425.126587 18.0 426.12439 22.0 427.12851 18.0 431.143219 17.0 442.799835 22.0 461.21933 24.0 477.102661 40.0 494.047516 18.0 503.152679 60.0 504.166443 20.0 505.068817 19.0 539.167175 22.0 540.133606 23.0 610.199219 18.0 611.21991 22.0 629.19397 19.0 656.972107 18.0 673.214966 48.557793 683.225464 18.0 685.200928 19.0 705.703857 20.0 743.228638 23.0 783.291992 18.0 795.19043 18.0 807.253174 17.0 843.378113 24.0 849.16864 18.0 849.262146 18.0 933.109253 21.0 942.552673 22.0 980.188232 26.0 1007.337708 65.0 1007.507996 20.0 1008.3396 65.0 1009.34729 37.0 1035.355591 18.0 1046.302002 20.0 1066.279907 18.0 1070.305542 18.0 1073.295532 18.0 1075.319458 22.0 1089.081421 18.0 1122.196533 18.0 1124.203735 18.0 1131.246338 18.0 1132.774292 22.0 1140.778198 51.0 1151.349121 20.0 1153.735596 36.0 1156.329102 20.0 1165.318237 20.0 1177.372803 22.0 1182.93335 20.0 END IONS BEGIN IONS SCANS=363 PEPMASS=503.16102 CHARGE=0 COLLISION_ENERGY=0.0 71.013824 116.0 73.030228 90.0 85.031494 39.0 89.024773 221.772705 97.029266 82.0 99.009598 76.0 101.02243 316.0 113.02903 47.0 119.033844 127.0 125.027512 56.0 134.091492 41.0 143.037598 141.0 150.942032 30.0 161.045929 418.0 163.045685 27.0 173.949448 26.0 179.056854 316.539917 191.187622 26.0 214.516388 62.0 220.958893 41.0 221.064362 289.0 222.072021 36.0 245.069595 33.0 245.742493 63.0 257.107697 38.0 263.077393 58.0 281.070465 86.297798 287.130402 27.0 290.139771 25.0 293.001923 26.0 320.142609 22.0 322.042786 20.0 325.098297 21.0 340.31012 28.0 341.105011 57.0 349.759338 28.0 357.088623 20.0 372.027252 27.0 374.251007 42.0 381.568726 21.0 383.116852 225.0 384.129608 59.0 405.974304 18.0 410.114838 18.0 426.189209 18.0 459.329254 28.0 530.548889 18.0 534.037903 19.0 539.127563 27.0 540.154053 42.0 562.124756 19.0 565.047852 18.0 566.157837 159.0 567.159729 23.0 578.068298 25.999998 591.208191 28.0 601.113281 19.0 622.153931 18.0 637.290222 23.0 644.121521 18.0 650.239929 50.0 669.56427 18.0 671.231079 31.0 681.076416 17.0 687.19104 18.0 736.950256 18.0 752.407227 18.0 771.082336 27.0 823.95636 20.0 839.095581 19.0 839.17334 18.0 849.149902 26.0 889.315063 23.0 909.263 50.0 929.2948 23.0 947.281433 19.0 966.07605 19.0 1007.325745 22.0 1008.324402 98.0 1009.310364 28.0 1010.322388 25.0 1025.210571 20.0 1028.042969 18.0 1060.232056 23.0 1065.328369 22.0 1071.35022 19.0 1073.273071 19.0 1082.219238 30.0 1089.241821 24.0 1105.719482 18.0 1110.484375 22.0 1122.396851 20.0 1139.086182 20.0 1170.827515 18.0 1175.332397 24.0 1176.628052 18.0 1183.765137 18.0 1189.881226 26.0 1190.404541 21.0 END IONS BEGIN IONS SCANS=364 PEPMASS=669.20887 CHARGE=0 COLLISION_ENERGY=0.0 75.007431 69.0 75.226128 36.0 84.832848 48.0 85.027641 27.0 90.535591 32.0 99.010094 37.0 100.607529 53.0 100.889084 31.0 118.516312 30.0 122.169571 39.0 143.96788 38.0 147.028107 96.0 153.595932 48.0 162.98381 61.0 163.021179 98.0 165.039902 7629.967285 166.045822 248.0 167.045334 147.0 202.04155 19.0 205.049988 25.0 238.407471 65.0 244.053894 22.0 247.281815 42.0 249.026749 21.0 250.025116 20.0 253.074448 23.0 265.077972 19.0 265.268555 23.0 270.058624 22.0 274.525665 28.0 320.841339 22.0 321.120392 43.0 335.019043 27.0 338.611084 26.0 338.764374 26.0 339.094727 20.0 352.693695 21.0 355.557678 21.0 369.753662 30.0 384.122498 37.0 394.031769 18.0 425.045563 20.0 432.747498 34.0 433.553802 26.0 437.034851 146.0 438.032532 24.0 439.034241 74.0 451.092194 41.0 479.588501 19.0 483.050842 40.0 485.393402 19.0 487.530731 21.0 497.06723 37.0 505.033508 92.0 506.02948 93.0 513.894226 32.0 536.14801 21.0 539.142212 48.0 540.515442 20.0 552.152832 56.0 553.130676 22.0 557.077148 71.0 558.076904 57.0 565.089905 21.0 566.178589 57.0 600.179565 30.0 624.047974 17.0 634.566101 27.0 637.18457 17.0 695.119263 20.0 695.179382 23.0 714.917664 20.0 771.112 45.0 776.923584 17.0 787.18866 20.0 842.291992 28.0 845.268555 17.0 850.225098 20.0 884.923706 18.0 888.28894 21.0 926.005859 41.0 948.217712 18.0 995.424744 18.0 1007.336426 18.0 1022.907349 18.0 1030.143311 18.0 1031.184204 18.0 1032.323242 21.0 1044.33252 62.0 1061.213501 18.0 1070.069702 35.0 1084.330566 19.0 1088.231567 20.0 1094.220581 26.0 1109.30957 20.0 1110.296387 18.0 1113.134888 27.0 1134.983521 17.0 1137.241455 26.0 1148.231812 18.0 1174.235229 19.0 1174.672852 18.0 1178.313843 17.0 1189.820435 17.0 END IONS BEGIN IONS SCANS=365 PEPMASS=337.07702 CHARGE=-1 COLLISION_ENERGY=0.0 71.016701 93.0 75.004433 51.0 85.026794 122.0 89.022957 52.0 91.728607 63.0 99.008713 331.0 111.01001 105.0 113.024117 283.0 113.99556 1208.0 115.004913 602.0 127.002808 147.0 129.016846 117.0 157.014557 611.0 158.018539 98.0 169.015289 155.0 174.017609 2335.257568 175.022385 573.0 182.050446 62.0 201.043716 46.0 219.049194 39.0 225.133545 26.0 233.072876 32.0 233.852997 25.0 239.093277 56.0 271.799164 23.0 277.056641 2809.252686 277.714081 25.0 278.05777 354.0 279.061096 109.0 291.014008 52.043194 300.847321 38.0 377.077454 36.0 379.086182 17.0 397.185974 19.0 404.096375 20.0 405.099518 19.0 409.503387 22.0 414.973663 20.0 425.327026 35.0 433.011414 19.0 451.114197 59.0 453.501343 22.0 453.546478 18.0 463.003601 22.0 480.068542 18.0 480.918915 22.0 539.138 49.0 542.181824 18.0 543.171265 27.0 660.960938 18.0 761.051392 18.0 762.685059 26.0 771.57428 18.0 816.124329 26.0 911.431519 24.0 930.529846 31.0 972.66748 34.0 975.012817 22.0 992.164368 30.0 995.85614 18.0 1005.37616 20.0 1051.894165 20.0 1060.62439 42.0 1067.197754 25.0 1076.328003 18.0 1079.251099 17.0 1087.058716 26.0 1116.301025 20.0 1135.042358 34.0 1146.119629 18.0 1151.610352 17.0 1157.175537 22.0 1189.967651 22.0 END IONS BEGIN IONS SCANS=366 PEPMASS=566.15656 CHARGE=-1 COLLISION_ENERGY=0.0 51.955456 32.0 61.987541 1917.0 62.984032 36.0 63.991924 73.0 78.064232 53.0 95.950989 39.0 104.473541 28.0 115.026115 26.0 115.775139 26.0 116.556717 24.0 142.013931 30.0 146.964447 37.0 151.136902 35.0 159.133667 42.0 161.045425 76.0 162.882294 27.0 179.060226 44.920803 187.126068 28.0 206.631729 22.0 220.608261 22.0 221.06636 212.0 222.079056 34.0 247.029694 24.0 249.460724 36.0 263.006866 34.0 263.071808 84.0 272.639557 27.0 277.085693 22.0 281.089691 136.0 294.043549 24.0 310.632202 21.0 311.72995 18.0 314.918976 18.0 326.990295 20.0 336.970612 20.0 341.111633 22.0 353.533844 18.0 374.948059 20.0 380.508545 17.0 383.132874 18.0 387.206299 20.0 425.142395 20.0 425.795319 18.0 426.123718 18.0 427.152618 26.999998 433.817596 18.0 443.279083 24.0 457.815613 18.0 459.8367 18.0 462.582947 18.0 472.268494 20.0 473.360687 18.0 483.244537 18.0 503.160034 74.0 504.16806 20.0 539.146423 88.0 540.141785 20.0 588.202881 20.0 601.14563 28.0 639.946106 18.0 789.44574 24.0 831.973755 17.0 844.059448 17.0 854.984375 18.0 879.115234 20.0 941.573242 18.0 989.035034 17.0 1009.954407 20.0 1015.280518 17.0 1019.013428 20.0 1036.284424 19.0 1044.596069 18.0 1050.197998 22.0 1057.23938 18.0 1068.04834 20.0 1073.581055 18.0 1087.705933 24.0 1097.921753 17.0 1108.506226 18.0 1109.096802 21.999998 1112.050293 18.0 1134.82959 17.0 1135.575562 18.0 1155.022705 33.0 1165.342041 18.0 1188.106323 25.0 1197.718506 26.0 1197.89209 18.0 END IONS BEGIN IONS SCANS=367 PEPMASS=267.0713 CHARGE=-1 COLLISION_ENERGY=0.0 59.012882 535.0 71.013 989.0 75.008148 520.0 85.028992 1144.346802 87.007263 856.0 89.023766 850.140381 103.003471 93.0 113.023674 3246.470459 114.025421 192.0 117.018478 213.648285 129.018265 176.0 149.046097 94.0 157.010757 122.0 166.050583 54.0 175.025452 215.0 176.02478 62.0 180.950012 100.0 191.055664 98.0 203.059998 38.0 205.061615 58.0 207.050766 385.0 222.86438 42.0 238.861969 38.0 290.944763 34.0 307.329224 22.0 318.664612 18.0 320.989868 18.0 332.893738 18.0 335.057495 32.0 340.19455 19.0 350.967346 18.0 351.612091 18.0 352.051849 36.0 352.9104 18.0 367.633362 41.0 396.860779 25.0 409.487549 18.0 414.589294 20.0 424.547302 20.0 433.123596 18.0 438.991577 19.0 440.231873 20.0 460.984589 22.0 462.227722 20.0 463.05661 22.0 481.078461 21.0 488.587982 18.0 491.377899 17.0 520.001526 17.0 559.142883 22.0 566.167847 18.0 592.141907 18.0 609.191345 40.0 610.170166 29.0 621.197205 20.0 627.025391 26.0 673.158142 45.0 676.724731 20.0 710.077759 18.0 727.091309 22.0 734.155701 23.0 736.322144 18.0 809.037659 20.0 842.352966 23.0 844.945679 18.0 942.156433 18.0 984.17572 22.0 988.769409 19.0 999.892456 24.0 1022.04071 36.0 1034.178101 25.0 1059.056152 18.0 1063.619995 17.0 1077.338501 19.0 1079.163452 17.0 1087.598022 24.0 1094.179688 24.0 1104.886963 20.0 1107.220215 18.0 1115.204102 18.0 1122.043457 25.999998 1137.986084 18.0 1148.573975 18.0 1155.613647 18.0 1165.181274 20.0 1166.098511 20.0 1167.224243 56.0 1168.169067 18.0 1199.704346 29.0 END IONS BEGIN IONS SCANS=368 PEPMASS=243.01759 CHARGE=0 COLLISION_ENERGY=0.0 51.022148 34.0 71.015793 54.0 79.956123 332.0 80.964592 1226.0 89.021423 95.0 95.014915 54.0 101.027458 134.0 113.025101 136.0 114.028259 44.0 121.166367 29.0 131.293137 39.0 146.96582 38.0 161.048477 54.0 161.281479 63.0 163.977615 25.0 169.067581 25.0 180.698395 54.0 195.831482 27.0 206.061478 33.0 219.976547 25.0 265.150635 18.0 267.349854 22.0 281.086456 21.0 285.361115 24.0 306.779999 24.0 309.588959 20.0 311.464905 21.0 333.366821 25.0 337.07373 33.0 343.898682 36.0 359.510834 18.0 361.162994 17.0 362.180359 21.0 368.124084 22.0 429.93985 18.0 436.516663 27.0 449.204895 20.0 462.987579 18.0 469.573486 20.0 470.951935 20.0 474.059418 18.0 478.075104 18.0 494.274445 18.0 503.1698 22.0 504.082672 18.0 509.070862 23.0 519.130371 18.0 556.828003 33.0 565.905457 17.0 566.147095 40.0 580.304077 18.0 584.816223 20.0 587.516479 18.0 644.386475 22.0 657.204956 21.0 662.766846 21.0 719.690002 18.0 719.889954 21.0 798.082703 20.0 813.285645 25.0 815.189636 22.0 827.471313 18.0 859.128418 20.0 870.99646 20.0 922.614868 23.0 951.255676 18.0 978.458923 17.0 984.039307 24.0 1010.991943 53.0 1022.409302 17.0 1023.246826 20.0 1023.663574 20.0 1062.200806 18.0 1074.846191 17.0 1077.87793 36.0 1083.110718 21.0 1095.00061 18.0 1099.881592 20.0 1141.796631 17.0 1164.181885 18.0 1168.218506 18.0 1170.231567 21.0 1189.568115 25.0 1190.269043 20.0 END IONS BEGIN IONS SCANS=369 PEPMASS=539.13778 CHARGE=-1 COLLISION_ENERGY=0.0 59.013027 83.0 71.012756 69.0 73.02581 65.0 87.006454 60.0 89.024582 246.0 97.029678 54.0 101.023651 293.0 102.026611 63.0 113.021469 37.0 115.038361 43.0 119.03791 164.0 143.036148 284.0 161.04483 881.0 162.045456 37.0 179.056229 1039.0 180.05127 68.0 188.660919 31.999998 189.95932 33.0 219.010498 20.0 221.065735 341.0 222.627777 23.0 226.594528 19.0 238.363846 20.0 247.834885 23.0 251.076981 44.0 252.056 20.0 254.062424 19.0 263.080353 41.0 281.028503 23.0 281.082947 178.0 321.066223 22.0 323.0979 91.0 341.110992 352.0 342.119141 58.0 344.111328 29.0 346.265625 27.0 367.600006 24.0 377.671844 23.0 382.517487 19.0 383.118317 919.0 384.117279 211.0 384.509399 29.0 404.964447 27.0 424.981781 18.0 425.128693 164.599548 426.133881 25.0 443.141266 121.0 445.997742 26.0 463.169922 25.0 491.517853 26.999998 503.159882 960.0 504.164276 122.0 576.541687 18.0 678.912598 23.0 684.213806 17.0 1040.376587 18.0 END IONS BEGIN IONS SCANS=370 PEPMASS=1007.33074 CHARGE=-1 COLLISION_ENERGY=0.0 58.966499 17.0 71.014969 44.0 97.028526 18.0 101.025681 87.0 113.023277 25.0 114.939972 29.0 119.026794 30.0 120.042114 25.0 143.035263 109.0 161.045029 756.0 162.042114 51.0 162.123291 17.0 179.055038 869.0 179.443512 19.0 180.058609 104.0 208.692551 20.0 217.699799 18.0 221.064743 121.0 251.077255 91.0 263.075287 74.0 268.348206 24.0 268.593781 27.0 281.088409 179.0 282.089539 37.0 317.182098 34.0 323.095612 77.0 341.108215 766.0 342.111389 78.0 342.292023 26.0 346.553253 28.0 365.535522 18.0 376.100433 24.0 377.091156 41.0 383.118805 317.0 384.123688 19.0 385.356354 18.0 400.523254 20.0 425.127869 396.0 426.124634 27.0 427.133972 44.0 430.195099 22.0 443.132965 35.0 479.80484 17.0 482.339752 18.0 485.158356 42.0 495.657013 17.0 502.243988 20.0 503.040466 37.0 503.158905 1575.999268 503.221893 18.0 504.163025 276.0 505.167053 47.0 593.541565 34.0 661.419983 20.0 665.213501 55.0 666.210327 27.0 785.265808 20.0 787.624146 18.0 789.037415 40.0 819.501343 19.0 845.05896 20.0 845.273438 184.0 846.293701 35.0 887.282898 34.0 929.299438 38.0 947.32312 18.0 953.074585 18.0 END IONS BEGIN IONS SCANS=371 PEPMASS=549.16666 CHARGE=-1 COLLISION_ENERGY=0.0 59.013302 740.0 71.013405 1105.0 73.029106 590.0 87.006599 202.0 89.023689 3297.0 97.030235 764.0 101.024124 4669.381836 113.024025 1204.0 119.034042 2688.0 131.034378 500.0 143.034897 2585.0 149.044556 431.919189 161.045029 9292.144531 162.048828 668.989075 163.047424 130.0 179.055313 9868.09668 180.06041 592.0 181.059326 200.0 202.772995 31.0 213.520493 36.0 221.06543 3241.957764 222.066742 254.0 223.074005 83.0 231.690536 37.0 251.077866 101.0 255.288574 31.0 263.076752 839.0 264.079803 141.0 281.087189 1084.298462 282.08725 120.0 323.097046 1726.0 324.102081 117.0 325.10553 97.0 341.107544 3281.0 342.11203 501.0 343.109772 203.0 376.098969 37.0 376.120789 44.0 383.119263 4211.751953 384.124969 488.098145 385.13385 55.0 386.955536 29.0 425.13089 753.0 426.129181 170.0 427.13504 46.0 443.139282 154.0 444.015686 34.0 444.149628 46.0 467.14621 22.0 503.1604 17757.246094 504.163727 3461.0 505.166779 730.0 505.702179 38.0 506.173737 66.0 609.187073 29.0 620.083069 18.0 626.700012 22.0 636.2005 18.0 636.678223 19.0 652.531982 20.0 672.221558 21.0 676.467041 26.0 687.946594 18.0 846.885864 18.0 880.273376 122.0 881.238953 20.0 902.504395 22.0 1008.348572 37.0 1013.483215 20.0 1043.322998 18.0 1046.760132 20.0 1061.255981 26.0 1092.326904 18.0 1160.890869 20.0 1179.994019 26.0 1188.216309 18.0 END IONS BEGIN IONS SCANS=372 PEPMASS=503.1611 CHARGE=-1 COLLISION_ENERGY=0.0 59.012161 140.0 71.013725 404.0 73.028282 142.0 81.039513 49.0 89.023857 727.0 97.028099 205.0 101.02433 1309.0 113.023552 405.0 119.034241 541.875854 131.034332 81.0 143.034622 248.0 149.043625 100.0 161.0439 1124.0 162.044724 108.0 177.094452 52.0 179.055725 1736.0 180.057343 111.0 181.059296 41.0 206.736893 42.0 215.362045 20.0 221.064758 731.0 223.067825 21.0 235.217209 30.0 239.890457 62.0 251.872284 42.0 254.350952 26.0 263.074066 74.0 278.255371 31.0 281.083984 213.0 283.971527 27.0 315.382751 29.0 319.226501 57.0 323.082184 43.434635 324.10672 26.0 341.104004 254.0 343.106201 47.0 356.812866 18.0 358.540588 18.0 379.430573 18.0 383.117554 375.0 384.121521 42.0 387.029114 34.0 403.600555 18.0 414.731781 22.0 425.119049 39.0 479.424194 19.0 539.134521 37.0 611.176819 18.0 615.997375 22.0 620.194885 18.0 636.194153 17.0 672.245239 17.0 683.192322 20.0 742.076904 20.0 849.566467 18.0 882.25354 18.0 909.285706 31.000002 985.258667 27.0 1007.344055 59.0 1008.29834 19.0 1032.305054 17.0 1032.385376 27.0 1047.383545 51.0 1057.797363 17.0 1060.526733 17.0 1112.302612 20.0 1140.189087 35.0 1183.045776 20.0 1198.383057 20.0 1199.762451 18.0 END IONS BEGIN IONS SCANS=373 PEPMASS=566.15679 CHARGE=-1 COLLISION_ENERGY=0.0 61.987514 10910.480469 62.984482 91.862785 63.060646 53.0 63.990284 46.0 71.012985 39.0 89.022064 38.0 101.025696 93.0 101.42012 40.0 119.034317 40.0 126.186371 35.0 135.342163 51.0 140.690979 40.0 161.046219 204.0 179.056122 40.0 184.09462 31.999998 191.0634 26.0 194.87146 29.0 197.079041 33.0 214.094803 34.0 221.061615 35.0 227.957169 26.0 235.612076 30.0 238.517776 42.0 249.346481 30.0 251.080917 27.0 258.82135 28.0 263.064636 21.0 263.492126 27.0 267.1474 24.0 280.531738 33.0 304.458832 21.0 304.667328 23.0 307.291229 37.0 313.532562 21.0 328.10083 27.0 341.106476 86.0 362.796326 27.0 376.100494 287.0 377.100647 67.0 383.11499 180.0 384.125519 38.0 386.523102 38.0 404.002838 20.0 413.129089 18.0 425.132385 61.0 426.135406 33.0 437.042816 18.0 443.153992 19.0 450.860474 20.0 451.108246 18.0 460.069885 19.0 463.226807 18.0 494.762177 20.0 495.743927 21.0 503.164062 158.0 504.159302 141.0 505.167023 19.0 518.368896 22.000002 541.126465 21.0 543.835693 21.0 601.186462 24.0 609.837952 22.0 611.364563 26.0 617.114319 18.0 635.270203 20.0 646.497314 19.0 668.198547 18.0 703.405945 18.0 711.253784 25.0 749.362793 20.0 757.58374 18.0 880.257385 224.0 881.271484 22.0 881.324585 18.0 882.272095 35.0 902.220825 47.171379 916.886353 26.0 917.153076 17.0 929.295837 18.0 947.320862 20.0 949.32373 20.0 961.222595 26.0 968.267212 18.0 989.440186 18.0 1007.320557 179.0 1008.342346 60.060638 1054.350342 24.0 1061.254272 61.0 1085.812134 33.0 1090.771484 18.0 1120.255371 17.0 1153.422241 18.0 1170.530151 18.0 1191.781616 26.0 END IONS BEGIN IONS SCANS=374 PEPMASS=639.19841 CHARGE=0 COLLISION_ENERGY=0.0 75.009254 83.0 75.603462 25.0 88.037148 41.0 89.02182 18.0 132.030807 226.0 133.014587 289.79245 134.017273 121.0 135.029465 5708.942383 136.034622 215.0 136.990601 267.0 162.051041 22.0 165.039612 112.0 180.8564 35.0 214.322723 21.0 232.166382 22.0 251.816666 18.0 263.074982 17.0 292.779175 19.0 297.089874 17.0 298.077576 20.0 313.571045 18.0 331.904083 20.0 372.261841 18.0 376.09137 36.0 390.137726 27.0 416.941101 17.0 425.130798 18.0 428.070892 24.0 429.141632 23.0 430.051514 29.0 434.217987 19.0 462.995941 26.0 490.067566 17.0 526.475708 24.0 588.126953 27.0 595.947632 17.0 829.068848 20.0 END IONS BEGIN IONS SCANS=375 PEPMASS=376.10096 CHARGE=-1 COLLISION_ENERGY=0.0 70.042358 37.0 78.958588 3346.612549 79.967461 40.0 96.969627 1625.0 97.028397 38.0 98.974388 47.0 120.744286 46.0 122.001694 86.0 125.024117 83.985252 140.011398 4105.34082 141.015121 53.0 143.029526 39.0 156.741287 31.0 175.78595 26.0 182.021698 159.0 187.868118 37.0 195.528732 45.0 197.798019 24.0 204.996597 40.0 206.020782 68.0 223.000229 186.0 224.035034 199.342773 228.040451 26.0 248.03035 73.0 256.831696 36.0 270.865295 23.0 284.053711 71.0 285.059967 51.0 290.842773 21.0 294.214905 37.0 315.048462 4526.083008 316.05426 374.0 317.049622 150.0 318.059448 54.0 329.067688 54.0 333.05835 179.66301 406.867676 22.0 421.50061 26.0 431.503143 18.0 454.754761 21.0 574.279602 18.0 613.481018 18.0 END IONS BEGIN IONS SCANS=376 PEPMASS=636.19875 CHARGE=-1 COLLISION_ENERGY=0.0 61.988647 22.0 71.017731 51.0 84.683388 22.0 88.040482 333.0 88.980362 40.0 94.831001 22.0 115.003014 197.0 132.029617 11581.0 133.013184 2166.547852 133.033325 603.452087 134.031586 171.880997 135.030487 805.694458 161.047836 72.0 162.049423 18.0 179.05246 17.0 197.644775 18.0 201.510864 18.0 222.070129 28.0 234.525833 22.0 238.798615 18.0 246.395416 18.0 262.01709 18.0 311.843018 18.0 347.341431 17.0 349.344635 30.0 350.635254 40.0 385.359253 17.0 385.787933 35.0 402.524475 18.0 407.1091 19.0 426.129547 19.0 430.014099 18.0 468.64859 19.0 503.167572 18.0 520.280212 22.0 546.115356 17.0 564.766479 19.0 573.276062 18.0 590.135986 19.0 590.980835 18.0 666.06012 18.0 END IONS BEGIN IONS SCANS=377 PEPMASS=669.20908 CHARGE=-1 COLLISION_ENERGY=0.0 55.379005 25.0 73.728531 28.0 75.006439 214.0 76.091537 26.0 77.011566 30.0 89.025322 29.0 120.774521 29.0 123.042114 23.0 129.019836 61.0 145.019119 21.0 147.031403 326.0 147.450211 24.0 162.986267 65.0 163.024734 58.0 164.024353 52.0 165.039764 18356.570312 166.044739 1614.061768 167.045456 271.0 201.455093 22.0 225.388947 27.0 258.683441 22.0 266.96524 21.0 270.061707 18.0 284.421387 18.0 297.072083 32.0 297.16861 48.0 333.676697 26.0 348.809052 30.0 352.703583 18.0 375.191315 21.0 376.091095 19.0 435.126007 18.0 437.028351 96.0 439.035156 42.0 444.155487 46.0 469.098663 28.0 503.04361 41.509708 503.157196 18.0 505.026276 117.0 548.00946 17.0 550.046448 26.0 557.088379 83.0 558.069275 19.0 559.076477 18.0 573.975159 18.0 578.346436 20.0 623.098511 28.0 623.613464 20.0 624.141968 18.0 624.887878 18.0 625.077698 17.0 1012.137634 20.0 END IONS BEGIN IONS SCANS=378 PEPMASS=404.1038 CHARGE=0 COLLISION_ENERGY=0.0 54.089298 49.0 61.987537 642.0 74.411217 39.0 75.46154 46.0 89.617554 38.0 95.331108 49.0 108.841583 23.0 109.752365 26.0 126.081848 29.0 133.871964 55.0 138.496933 44.0 142.226212 42.0 152.513504 38.0 152.581314 24.0 153.017181 26.0 165.657776 26.0 179.417725 24.0 192.022751 29.0 207.710449 27.0 216.617477 32.0 226.4832 26.0 230.084946 25.0 240.3647 28.0 249.926956 27.0 258.271881 21.0 259.872955 18.0 265.923187 28.0 269.990326 21.0 273.250732 19.0 282.32608 20.0 300.806366 34.0 305.06192 19.0 310.155182 22.0 310.828094 20.0 324.867523 20.0 330.081818 38.0 353.366547 18.0 363.181488 18.0 367.73465 34.0 430.130157 18.0 436.460052 24.0 453.6875 23.0 456.762817 22.0 461.188049 19.0 470.145844 21.0 472.402039 18.0 484.294891 20.0 549.165833 20.0 555.794556 25.0 566.158813 73.0 649.20105 20.0 671.691589 17.0 672.237549 18.0 847.270447 20.0 884.119568 18.0 1029.306274 17.0 1045.292358 20.0 1061.230591 23.0 1096.103394 19.0 1122.345215 22.0 1181.226807 17.0 END IONS BEGIN IONS SCANS=379 PEPMASS=539.13762 CHARGE=-1 COLLISION_ENERGY=0.0 50.058456 50.0 67.349251 28.0 83.576927 49.0 84.837227 34.0 89.024582 66.0 97.031303 98.0 101.024529 378.0 113.023224 148.0 119.032417 243.0 125.027748 131.719391 143.03624 221.0 149.042465 61.0 158.527954 51.0 161.044662 938.0 162.052536 51.0 177.577637 43.0 179.055588 1841.917725 180.058868 85.0 203.589279 32.0 208.847855 23.0 215.381149 24.0 221.066086 280.0 231.984375 23.0 248.674515 22.0 251.080521 180.0 263.070343 38.0 265.151489 25.0 270.098694 39.0 281.085663 255.0 295.477875 25.0 303.403412 26.0 306.580017 34.0 321.087158 24.0 323.102264 111.0 341.108765 652.0 342.111145 111.0 351.738647 18.0 374.050262 22.0 383.120178 1234.0 384.123169 176.0 385.121582 42.0 391.219177 27.0 403.029053 33.0 405.593445 24.0 425.119751 78.0 426.131866 29.0 427.049957 24.0 427.13031 32.0 454.60376 20.0 503.158386 261.0 504.170013 43.0 566.143494 98.0 567.146362 21.0 592.161682 19.0 634.040649 49.0 639.193481 25.0 665.202087 20.0 670.237122 42.0 708.299316 21.0 713.117554 20.0 716.598511 19.0 729.288208 18.0 748.183533 18.0 814.099243 21.0 816.103577 18.0 826.496338 22.0 830.191956 18.0 850.541382 20.0 893.605347 23.0 907.971924 18.0 938.998657 28.999998 942.077393 19.0 953.216919 17.0 958.620483 20.0 964.563477 21.0 1000.99054 24.0 1007.405151 18.0 1021.108582 18.0 1045.286987 18.0 1051.304077 18.0 1055.612549 18.0 1061.245605 45.0 1068.187378 18.0 1091.117432 31.0 1091.329712 17.0 1102.574341 20.0 1116.261475 18.0 1120.145508 24.0 1121.177612 18.0 1121.460205 18.0 1127.2948 26.0 1163.011841 20.0 1171.767456 20.0 1172.787842 20.0 1194.246948 20.0 END IONS BEGIN IONS SCANS=380 PEPMASS=341.10772 CHARGE=0 COLLISION_ENERGY=0.0 58.692623 49.0 66.69545 41.0 73.028313 46.0 85.032265 54.0 87.010895 44.0 89.025467 152.0 101.031181 22.151453 110.633224 20.0 113.026817 50.0 119.03331 27.0 120.039558 20.0 146.601608 23.0 154.59227 34.0 156.736343 24.0 157.697235 36.0 158.987885 29.0 161.04567 55.0 179.064682 31.691605 208.85144 18.0 209.291412 18.0 213.356323 38.0 221.071609 98.0 222.079086 32.0 225.913208 21.0 250.834045 36.0 260.258087 18.0 285.639862 22.0 289.761292 22.0 297.248474 17.0 373.585449 32.0 434.977051 21.0 462.734161 18.0 580.427979 17.0 585.587524 30.0 739.056152 20.0 END IONS BEGIN IONS SCANS=381 PEPMASS=1007.33047 CHARGE=-1 COLLISION_ENERGY=0.0 62.417725 20.0 71.012527 25.0 89.021629 60.0 97.028061 20.0 98.031349 25.0 99.04232 21.0 101.024048 398.857117 107.03212 18.0 113.024315 116.0 119.034454 80.0 143.035934 121.0 149.043549 21.0 161.04512 1395.0 162.04744 83.0 163.04982 18.0 169.792328 19.0 179.055252 1879.0 180.057495 135.0 209.150192 28.0 221.06514 254.181961 222.066772 38.0 234.906174 41.0 239.171356 24.0 239.623856 26.0 251.074249 218.0 252.07753 23.0 281.084869 479.544342 281.470306 24.0 282.084686 52.0 295.339508 24.0 311.094055 39.0 323.097443 184.0 324.09903 35.0 341.107727 2600.0 342.11618 269.708862 343.113647 63.0 358.35257 22.0 366.555481 17.0 383.116577 348.0 384.128632 45.0 386.127258 17.0 425.130951 355.0 426.124878 52.0 427.13916 20.0 443.138916 21.0 450.034576 22.0 460.622314 21.0 495.751709 17.0 503.160431 2406.994873 504.164124 605.0 505.169098 55.0 530.1651 18.0 533.161804 37.0 539.11731 18.0 602.127747 17.0 628.1922 18.0 643.215271 19.0 647.192322 18.0 665.210205 38.0 681.974487 20.0 755.149902 17.0 756.248413 22.0 776.884888 23.0 844.708862 21.0 845.269348 121.999992 924.94928 18.0 930.311646 18.0 947.307434 36.0 948.311829 21.0 1070.354004 20.0 END IONS BEGIN IONS SCANS=382 PEPMASS=503.16112 CHARGE=-1 COLLISION_ENERGY=0.0 59.012642 293.0 71.012711 496.0 73.029633 526.0 83.015266 252.0 89.024284 1224.0 97.02874 326.0 101.024307 2229.0 113.023308 505.0 119.034584 932.249207 125.024124 225.0 131.034439 231.0 143.035522 462.0 150.50235 29.0 161.045776 2547.0 162.048309 156.0 176.998978 46.0 179.055389 3647.36499 180.059586 345.0 208.097977 23.0 215.85524 26.0 220.247116 20.0 221.066513 1627.0 222.06749 132.684311 223.067856 38.0 251.080582 70.0 263.075714 22.0 264.140717 30.0 273.786011 32.0 281.088196 426.740051 297.056793 22.0 305.904114 41.0 311.106262 101.0 323.094147 99.0 339.422302 46.0 341.108246 457.0 342.108612 57.0 363.842957 52.0 383.11676 383.0 384.125549 63.0 385.510956 25.0 391.835754 49.0 395.736084 22.0 407.159424 17.0 418.78476 27.0 424.536926 25.0 425.128571 18.0 437.033264 27.0 464.495636 30.0 528.145081 18.0 539.136902 24.0 561.4552 24.0 566.156799 40.0 567.15448 38.0 577.2005 17.0 588.999573 21.0 594.175781 20.0 627.307556 17.0 646.601624 24.0 647.313354 18.0 650.222595 20.0 678.497803 18.0 825.344849 21.0 867.243835 29.0 867.290588 22.0 880.114929 17.0 985.72937 18.0 987.800659 19.0 1007.320068 101.0 1008.318604 41.0 1030.325684 19.0 1071.723267 27.0 1077.721436 18.0 1083.222046 18.0 1091.331421 27.0 1121.331421 17.0 1122.174194 26.0 1136.74353 19.0 1164.502197 18.0 1193.331909 20.0 END IONS BEGIN IONS SCANS=383 PEPMASS=566.15681 CHARGE=-1 COLLISION_ENERGY=0.0 59.014786 47.0 61.987698 8350.234375 62.731453 158.0 62.98291 55.0 63.990227 39.0 70.343544 63.0 101.022697 72.0 102.668335 25.0 113.022552 44.0 119.033058 39.0 145.915787 25.0 149.044952 40.0 161.046387 62.0 166.758148 33.0 170.287994 51.0 177.038315 111.0 177.89769 33.0 179.054169 253.0 204.424591 22.0 221.070938 67.0 225.392731 23.0 226.087662 27.0 226.726227 22.0 238.310364 22.0 254.70575 20.0 256.268921 27.0 281.092651 60.0 282.081604 18.0 284.113647 24.0 294.762878 26.0 311.110321 43.0 334.624878 21.0 339.283295 22.0 340.23999 29.0 341.1073 186.0 342.1138 74.0 377.397278 23.0 383.113098 92.0 383.168732 20.0 384.123688 21.0 385.1185 20.0 387.48645 23.0 418.830048 37.0 425.128021 54.0 433.97168 18.0 460.136383 18.0 465.120636 18.0 478.098083 28.0 479.251038 26.0 501.140686 18.0 503.151642 39.0 522.200989 18.0 539.142883 20.0 623.349121 18.0 632.210144 33.0 633.134766 18.0 634.188599 18.0 799.226501 22.0 844.542847 18.0 1011.352051 23.0 1031.327393 26.0 1061.244141 17.0 1115.233643 20.0 1130.230347 22.0 1151.542358 20.0 1170.295166 17.0 1175.105713 18.0 END IONS BEGIN IONS SCANS=384 PEPMASS=549.16668 CHARGE=-1 COLLISION_ENERGY=0.0 59.012653 593.0 71.013504 947.487 73.029091 662.0 87.009827 211.0 89.024139 2416.0 97.02858 1017.0 101.02446 4768.569824 102.029434 327.0 113.024422 951.0 119.03447 1824.0 131.034363 474.0 143.033951 1291.0 161.044891 6194.0 162.048996 493.0 163.050507 149.0 179.055466 10895.5 180.059357 1190.0 185.047134 82.0 221.065659 3730.220459 222.070724 334.0 222.302307 29.0 223.076569 46.0 230.785553 40.0 245.067413 79.0 251.076843 521.0 263.058594 69.645439 263.074646 179.710876 280.973511 54.0 281.0896 1288.0 282.090668 115.0 311.098938 138.0 323.099579 1295.104004 324.107666 248.0 341.108551 4380.0 342.111969 693.0 343.110443 137.0 361.532379 33.0 383.118896 3217.757812 384.124969 479.0 385.119141 76.0 385.659576 23.0 389.140472 25.0 420.471924 41.0 425.131836 506.666504 426.134155 112.0 429.892151 23.0 432.855682 42.0 443.133789 70.0 471.10614 19.0 481.167023 18.0 503.091827 20.0 503.161072 7891.991211 503.98761 25.0 504.167572 1402.0 505.164551 264.0 607.801941 18.0 638.956055 20.0 658.221252 19.0 664.488525 31.000002 719.38324 21.0 845.274719 18.0 850.191833 17.0 910.196228 23.0 1007.309143 39.0 1065.272949 18.0 1072.49939 18.0 1075.300293 18.0 1152.224121 18.0 1169.740112 23.0 1170.324585 33.0 1172.166016 20.0 1195.833008 23.0 1199.408569 18.0 END IONS BEGIN IONS SCANS=385 PEPMASS=243.01748 CHARGE=0 COLLISION_ENERGY=0.0 71.012497 70.0 79.957764 671.0 80.965118 333.0 81.954124 41.0 81.969604 43.0 89.023254 203.0 100.017761 38.0 101.022888 117.0 104.764206 42.0 113.024864 100.0 125.001656 40.0 129.02803 32.0 150.911057 23.0 160.72551 80.0 164.895813 39.0 175.866165 39.0 179.807755 35.0 184.592255 23.0 270.924744 20.0 271.92691 21.0 276.116882 33.0 277.712799 24.0 293.638428 38.0 313.793457 19.0 324.120331 18.0 325.465027 20.0 327.699982 29.0 339.182007 21.0 346.059296 28.0 419.490509 30.0 420.605713 18.0 437.375214 18.0 492.547516 53.0 506.256989 18.0 506.656677 25.0 510.930786 22.0 540.141174 18.0 543.833557 18.0 548.859131 23.0 589.980713 19.0 855.620239 19.0 962.92749 19.0 975.372498 18.0 1018.090393 23.0 1032.765259 20.0 1069.021362 19.0 1097.765747 20.0 1104.716064 18.0 1146.229614 18.0 1177.047729 20.0 1179.687378 18.0 1180.488403 18.0 END IONS BEGIN IONS SCANS=386 PEPMASS=353.07197 CHARGE=0 COLLISION_ENERGY=0.0 59.013931 586.890198 71.011909 354.0 72.991547 699.0 85.028671 697.0 87.009361 90.0 89.02417 499.0 101.023857 265.0 103.0028 573.0 113.02356 899.0 129.014343 60.0 131.033051 387.0 133.016144 300.0 157.014526 105.0 175.024048 202.315063 192.059937 57.0 193.035431 2317.005371 194.037598 229.0 195.040573 109.0 209.698914 28.0 211.801132 25.0 212.163437 22.0 216.731812 21.000002 236.407288 20.0 245.438843 22.0 264.068787 33.0 264.98465 36.0 270.168518 26.0 277.039459 43.0 284.581726 30.0 288.726227 39.0 312.127686 19.0 316.18924 22.0 320.749573 24.0 327.286407 24.0 332.705048 22.0 402.224609 20.0 412.091522 30.0 436.500671 23.0 468.92511 18.0 474.93866 22.0 504.620544 17.0 530.964661 23.0 547.247498 25.0 548.286743 35.0 571.122925 27.0 594.441833 19.0 597.732727 22.0 777.12323 20.0 898.871704 48.0 905.116394 18.0 972.362671 21.0 1090.809448 22.0 1107.95813 19.0 1124.097534 19.0 1145.083374 27.0 END IONS BEGIN IONS SCANS=387 PEPMASS=728.2102 CHARGE=-1 COLLISION_ENERGY=0.0 51.354668 57.0 61.752937 30.0 61.987804 1214.0 70.175018 28.0 71.015663 28.0 99.732841 32.0 101.025032 80.0 120.212715 23.0 130.672195 23.0 138.943558 31.0 139.155075 27.0 143.033783 77.0 161.046387 451.0 166.414444 24.0 171.696457 24.0 179.056534 158.0 190.45343 23.0 193.041077 46.0 202.133499 36.0 207.97438 29.0 215.311295 43.0 221.071838 50.0 222.047607 29.0 231.29306 49.0 259.461761 23.0 263.078583 48.999996 267.06192 22.0 281.08963 60.0 282.557526 29.0 288.164673 23.0 302.996246 20.0 303.891754 24.0 312.131287 20.0 315.266907 26.0 341.109528 318.943634 342.102631 52.0 353.0737 51.0 354.179901 19.0 356.82547 27.0 364.080536 18.0 383.122131 148.0 384.130341 20.0 421.918945 35.0 425.131256 69.0 426.14679 18.0 443.137115 81.0 445.151001 28.0 445.513062 18.0 455.152405 17.0 503.172699 23.0 504.169342 18.0 530.134644 17.0 545.176758 319.145721 546.182312 59.000004 547.174744 42.0 560.307861 20.0 571.0979 22.0 582.336731 28.0 587.181519 170.0 588.19165 35.0 592.837402 20.0 605.186951 39.0 611.090759 41.0 631.082275 18.0 658.058228 19.0 665.215332 95.0 665.57196 20.0 704.19873 24.0 785.956604 23.0 825.227051 27.0 839.264893 18.0 860.247009 20.0 942.953857 17.0 1047.192261 20.0 1079.423828 20.0 1083.689331 24.0 1110.172729 27.999998 1121.899048 25.0 1132.876831 19.0 1149.808105 18.0 1170.63623 22.0 END IONS BEGIN IONS SCANS=388 PEPMASS=665.21437 CHARGE=-1 COLLISION_ENERGY=0.0 51.743626 46.0 63.800602 40.0 71.014084 60.0 73.028053 192.0 89.023048 181.0 97.030113 206.815857 101.024506 570.0 113.021553 118.0 115.037384 92.0 119.032104 173.0 125.02523 56.0 143.035812 207.0 161.045044 2729.0 162.04863 130.105896 169.320023 25.0 175.359543 29.0 179.055542 984.0 180.057709 39.0 210.306213 28.0 217.884186 23.0 221.06427 467.0 222.070633 101.0 223.075577 45.0 241.734573 24.0 263.078613 425.0 265.409912 27.0 267.550354 26.0 277.973663 30.0 281.087158 243.0 282.089325 44.0 317.093872 21.0 317.752502 21.0 332.338318 23.0 341.109711 499.0 342.111023 99.0 343.108246 38.0 376.097931 19.0 383.119171 1031.0 384.119812 109.0 385.111755 21.0 411.681854 20.0 413.297241 24.0 425.131683 342.0 426.121552 39.0 443.140442 193.0 449.861511 22.0 483.591919 20.0 503.164825 220.0 504.170135 66.0 505.655182 18.0 545.172241 838.0 546.178162 100.0 547.171021 141.0 557.787231 18.0 564.80835 19.0 587.183228 240.0 588.187256 49.0 592.338684 22.0 599.898682 30.0 603.973633 37.0 605.187073 45.0 622.101257 20.0 689.501831 25.0 701.197327 19.0 728.201477 18.0 735.231934 29.0 758.706238 20.0 760.258362 22.0 761.871155 18.0 792.747864 20.0 837.844177 25.0 843.389526 21.0 865.246948 18.0 890.257507 18.0 901.193298 18.0 913.043701 19.0 963.805176 20.0 1018.292358 22.0 1023.936951 17.0 1044.116211 25.0 1064.083984 18.0 1084.336426 18.0 1088.697632 18.0 1097.629272 18.0 1123.048218 28.000002 1124.810669 22.0 1140.16687 24.0 1152.568848 22.0 1178.698364 18.0 END IONS BEGIN IONS SCANS=389 PEPMASS=331.1135 CHARGE=0 COLLISION_ENERGY=0.0 59.634949 44.0 67.621437 34.0 72.565811 31.0 87.15847 33.0 92.818115 30.0 93.04686 265.999207 105.585854 44.0 108.05925 182.0 110.073135 169.0 118.039658 79.0 136.052582 79.0 137.035095 423.0 154.061371 7574.814453 155.062943 723.0 156.065384 90.0 158.302078 23.0 176.044479 219.0 187.637543 26.0 214.337326 28.0 231.128738 25.0 236.800461 49.0 239.037109 89.0 239.837631 35.0 243.591049 28.0 253.979889 24.0 254.176865 24.0 268.086914 22.0 268.744934 22.0 272.546722 23.0 279.500885 28.0 309.129303 43.0 358.056244 28.0 369.246521 26.0 377.591766 18.0 384.799652 34.0 385.339111 17.0 390.981476 18.0 407.113251 18.0 408.957184 19.0 443.056671 20.0 455.504395 19.0 455.705048 18.0 464.231537 19.0 487.233398 22.0 488.017365 43.0 497.19165 25.0 510.182281 19.0 515.956482 24.0 529.346008 22.0 537.173645 18.0 538.24408 22.0 540.44281 24.0 566.143188 18.0 578.279785 20.0 654.872498 20.0 661.560181 17.0 701.176331 20.0 702.176575 18.0 720.075867 18.0 741.089294 18.0 752.940247 18.0 765.05188 18.0 788.060425 23.0 822.104797 18.0 905.070618 44.0 907.171936 18.0 919.275757 22.0 927.926147 18.0 930.975098 18.0 946.072998 22.0 962.054443 17.0 1016.264954 18.0 1028.099487 26.0 1029.214844 21.0 1031.075562 18.0 1061.263306 53.0 1108.717651 17.0 1117.165649 18.0 1133.181396 20.0 1143.757324 37.0 1152.980957 29.000002 1162.439453 20.0 END IONS BEGIN IONS SCANS=390 PEPMASS=154.06173 CHARGE=-1 COLLISION_ENERGY=0.0 67.029251 636.786621 72.008125 755.0 80.037086 1641.0 81.044922 1656.0 93.045372 10076.705078 94.049301 452.205322 108.056427 1225.0 109.040169 441.0 110.071617 2562.178711 118.042549 369.0 182.229218 28.0 194.486023 28.0 202.398834 21.0 202.793365 25.0 210.689804 24.0 222.338913 23.0 229.50853 34.0 239.039978 22.0 259.180237 30.0 260.233032 30.000002 266.400879 34.0 280.212402 36.0 280.549622 25.0 299.728668 23.0 308.417023 21.0 328.893127 22.0 331.112762 56.0 332.12323 55.0 334.735168 22.0 342.982697 26.0 365.649445 22.0 393.313721 18.0 407.868164 21.0 414.453735 18.0 501.110199 26.0 502.69873 20.0 517.938049 18.0 573.029968 18.0 583.068054 19.0 600.886353 18.0 634.392517 20.0 677.453247 29.999998 697.342712 17.0 720.131592 36.0 739.153015 17.0 746.676392 21.0 753.126831 21.0 805.061829 25.0 807.265503 18.0 820.274414 37.0 838.057495 22.0 854.895447 25.0 869.038757 23.0 874.271545 19.0 887.139282 20.0 964.101624 20.0 970.142212 18.0 981.025391 33.0 996.000305 17.0 997.339355 18.0 999.326904 17.0 1016.088928 19.0 1041.184326 19.0 1049.303223 17.0 1065.272827 27.0 1070.343018 32.0 1085.592285 23.0 1087.192017 39.0 1090.211548 22.0 1097.738403 26.0 1104.31604 20.0 1125.128906 20.0 1125.8479 24.0 1126.566772 17.0 1149.665161 18.0 1152.630005 22.0 1165.231812 18.0 1176.355469 33.0 1176.494751 18.0 1184.984497 19.0 END IONS BEGIN IONS SCANS=391 PEPMASS=711.2197 CHARGE=-1 COLLISION_ENERGY=0.0 59.871483 50.0 71.012764 87.0 73.028 131.0 83.014336 46.0 89.027557 109.0 97.029137 183.341934 101.02475 657.0 113.025238 126.0 115.037636 83.0 119.037819 96.0 143.034225 380.0 143.202301 42.0 161.044983 4058.0 162.04628 182.0 163.048996 74.0 179.055511 1265.0 180.057571 112.0 193.042252 96.0 216.022476 44.0 221.066544 526.0 222.074219 94.0 227.021439 23.0 228.682907 25.0 232.350815 47.0 263.077118 320.0 264.08374 44.0 280.2052 31.0 281.08844 614.0 282.085663 42.0 293.032043 35.0 317.986877 27.0 323.096283 41.0 341.109802 1241.0 342.112366 191.0 344.118561 58.0 346.894928 28.0 366.115295 19.0 383.121185 1422.0 384.123138 287.0 385.131866 44.0 387.076935 20.0 398.534302 20.0 413.12674 29.0 425.129456 909.0 426.131866 118.0 443.140411 277.0 444.140961 94.0 445.146454 40.0 452.693054 18.0 456.717072 18.0 461.744812 18.0 482.122467 22.0 483.456848 30.999998 486.161041 28.0 503.16153 939.0 504.167664 229.0 505.160126 58.0 545.171509 1271.0 546.17804 530.0 547.178894 116.0 587.181213 459.0 588.183167 182.0 605.188965 169.0 606.217834 57.0 607.197327 35.0 610.029419 22.0 629.732178 21.0 636.612183 23.0 665.213867 415.0 666.21106 237.0 667.215637 37.0 841.136169 19.0 859.254883 53.0 934.496887 19.0 1041.064453 20.0 1041.524658 32.0 1082.188599 53.0 1086.251343 21.0 1103.072388 17.0 1123.207031 37.0 1162.18689 24.0 END IONS BEGIN IONS SCANS=392 PEPMASS=665.21469 CHARGE=0 COLLISION_ENERGY=0.0 50.030243 50.0 73.029594 45.0 74.310249 29.0 81.035591 47.0 89.02388 37.0 97.028595 90.0 101.023949 229.0 115.043472 43.0 117.312248 43.0 119.034096 79.0 124.824715 46.0 130.246368 48.0 161.045456 547.0 162.051025 65.0 164.585388 62.0 179.054504 321.0 182.195358 51.0 193.03717 116.0 201.554108 73.0 208.104004 21.0 211.524048 21.0 221.064575 138.0 239.046295 24.0 247.363831 22.0 261.788422 33.0 263.078918 76.0 266.944031 34.0 281.087708 59.0 282.090637 40.0 284.591339 56.0 323.030518 31.0 325.188232 38.0 325.614319 38.0 332.113464 29.0 341.109375 265.0 342.106628 28.0 359.771332 39.0 367.671326 20.0 383.122162 471.0 384.122528 35.0 392.691284 25.0 394.165497 34.0 412.647186 25.0 425.124359 53.0 425.828766 18.0 427.785919 19.0 435.768036 17.0 443.142212 58.0 464.984711 33.0 503.154907 110.0 504.105652 25.000002 504.165283 47.0 518.999878 26.999998 545.176086 351.0 546.17511 71.929062 550.55957 17.0 587.18634 37.0 728.236816 21.0 802.253052 18.0 813.229858 18.0 820.279053 17.0 821.297302 17.0 839.080261 20.0 878.272156 18.0 887.06488 19.0 915.098022 21.0 924.16571 18.0 1022.712524 17.0 1050.23645 22.0 1112.927002 18.0 1124.935181 24.0 1146.209351 24.0 1149.075806 17.0 1152.211548 18.0 1154.111328 18.0 1169.300293 20.0 1173.327881 18.0 END IONS BEGIN IONS SCANS=393 PEPMASS=728.2103 CHARGE=-1 COLLISION_ENERGY=0.0 61.168728 35.0 61.987457 1030.0 70.30555 36.0 77.369781 36.0 79.562561 44.0 89.051956 51.0 101.020287 36.0 101.807205 42.0 111.420914 50.0 114.807968 33.0 120.988083 40.0 145.792099 26.0 156.87706 27.0 161.046387 188.0 162.047516 38.0 179.059937 38.0 191.447876 30.0 193.033859 92.0 215.19957 24.0 221.064621 37.0 224.054138 25.0 224.739197 27.0 237.264481 28.0 239.034058 37.0 269.754333 22.0 281.049255 37.0 284.98938 28.0 289.333496 21.0 294.454163 36.0 299.941284 21.0 314.381073 30.0 316.055267 26.0 316.574738 22.0 324.107819 51.0 329.743835 22.0 341.101624 126.0 357.25177 22.0 363.998474 17.0 372.939087 22.0 383.116486 88.0 384.126923 18.0 399.200348 24.0 401.583221 23.0 413.105011 22.0 420.707306 22.0 426.131897 58.0 444.134338 45.0 447.997467 39.0 458.295105 18.0 462.592896 22.0 483.51297 31.0 490.029541 31.0 503.168579 83.0 504.170471 42.0 529.143738 52.0 533.429565 19.0 540.059143 18.0 545.177612 250.0 562.049988 85.0 562.17511 27.0 571.973022 24.0 577.276489 21.0 587.190308 59.0 598.112732 24.0 605.190979 40.0 611.753357 32.0 665.205505 20.0 666.223511 19.0 701.19342 20.0 708.141052 19.0 759.053223 23.0 772.171143 27.0 816.104126 20.0 819.216797 25.0 820.261414 18.0 859.267639 19.0 1014.266602 31.0 1068.523438 18.0 1070.964966 18.0 1171.291626 56.0 1197.270752 22.0 END IONS BEGIN IONS SCANS=394 PEPMASS=665.21448 CHARGE=0 COLLISION_ENERGY=0.0 56.485302 55.0 65.660202 68.0 71.013298 49.0 73.028618 80.0 86.099861 32.0 89.024818 136.0 101.025139 349.905701 103.030563 31.0 113.02459 137.0 119.032097 94.0 143.034622 71.0 149.048859 42.0 161.046371 736.0 173.110001 47.0 177.819275 28.0 179.055969 1207.0 180.06073 194.0 181.434341 43.0 221.069397 266.0 222.070602 39.0 230.33255 22.0 233.897415 22.0 234.117172 47.0 239.044037 22.0 251.070663 98.0 256.309021 18.0 256.429993 23.0 263.075104 35.0 281.092407 180.0 293.176361 49.0 323.098114 101.0 324.908783 27.0 341.10553 453.0 342.11618 119.0 344.121002 35.0 347.202789 27.0 365.114471 74.0 380.669128 20.0 383.118134 571.730774 383.566956 18.0 384.127472 128.0 425.133698 131.0 426.119446 23.0 445.957581 20.0 449.658997 24.0 485.146729 17.0 493.09613 25.0 493.240753 22.0 503.160706 136.0 504.170837 57.0 545.174377 425.0 546.174255 55.0 547.176941 23.0 548.185364 32.0 572.046692 18.0 587.17395 57.0 588.185669 38.0 589.19397 22.0 605.191772 22.0 718.834045 22.999998 END IONS BEGIN IONS SCANS=395 PEPMASS=154.0617 CHARGE=0 COLLISION_ENERGY=0.0 58.614147 43.0 72.007729 183.0 80.039139 354.0 81.046043 312.86795 93.045471 2030.344727 94.050255 122.0 108.058136 377.639587 109.040848 195.0 110.07177 362.0 201.161606 37.0 203.396225 28.0 224.868057 37.0 239.831299 35.0 241.918457 37.0 242.328842 31.0 253.19223 31.0 261.288025 31.0 266.109436 29.0 268.647247 29.0 282.243011 44.0 291.243042 30.0 304.048218 20.0 312.989716 23.0 339.519653 22.0 340.811829 24.0 341.104218 25.0 349.768219 25.0 350.451447 25.0 366.887329 30.0 369.389587 37.0 370.705963 25.0 372.037476 23.0 379.213043 30.0 417.011597 20.0 421.401306 20.0 425.123871 22.0 439.516998 40.0 441.772308 19.0 448.22525 24.0 469.970062 24.0 503.158691 18.0 522.347717 21.0 538.136841 18.0 543.320496 18.0 556.324158 18.0 557.308899 20.0 566.29071 20.0 576.247925 18.0 587.41626 18.0 600.208069 20.0 624.151123 18.0 629.246521 18.0 636.013855 22.0 662.333984 18.0 666.372559 18.0 677.23407 19.0 695.432068 17.0 716.341309 18.0 717.233337 18.0 717.404053 18.0 749.376709 20.0 797.048218 25.0 809.8526 20.0 834.289001 18.0 835.239502 19.0 870.315674 26.0 885.360962 18.0 917.232361 17.0 944.511597 26.0 948.441711 20.0 959.251648 21.0 979.415894 25.0 1027.104736 18.0 1029.510864 17.0 1032.600586 17.0 1035.581909 18.0 1053.541992 28.0 1060.369873 18.0 1067.449463 24.0 1073.128662 34.0 1090.053833 24.0 1098.398315 20.0 1107.339478 18.0 1109.577026 28.0 1128.147461 18.0 1130.546387 18.0 1141.212524 24.0 1146.535889 29.0 1152.520142 18.0 1163.473633 20.0 1183.540283 22.0 1191.027954 45.0 1191.522949 18.0 1191.716919 41.0 END IONS BEGIN IONS SCANS=396 PEPMASS=131.08221 CHARGE=0 COLLISION_ENERGY=0.0 59.787758 40.0 60.768814 36.0 66.356125 47.0 75.005104 39.0 90.004753 41.0 97.733971 36.0 161.795776 36.0 161.977448 37.0 170.308914 42.0 173.097397 49.0 178.154922 34.0 195.047974 41.0 209.205627 114.0 213.560562 36.0 216.238266 39.0 217.041306 30.0 220.95076 29.0 248.864853 30.0 250.545898 23.0 254.252487 22.0 271.495453 22.0 277.597351 28.0 282.595154 49.0 293.170746 21.0 314.129761 25.0 320.746948 22.0 321.425171 39.0 334.262909 70.0 334.912964 34.0 347.204559 39.0 350.146149 38.0 364.906036 20.0 367.583679 25.0 369.197632 52.0 377.005219 33.0 379.021881 22.0 411.340057 18.0 412.087921 18.0 417.822937 23.0 418.164276 29.0 425.137054 18.0 433.641846 19.0 450.31369 24.0 463.537872 20.0 466.110077 22.0 468.084839 23.0 469.146332 22.0 489.951569 24.0 507.73526 28.0 520.208862 18.0 521.323975 72.0 529.834167 18.0 538.157776 37.0 546.508972 24.0 553.747742 24.0 578.164307 22.0 584.342896 18.0 585.322449 20.0 607.587646 24.0 612.511047 24.0 656.073486 18.0 665.213196 20.0 672.254578 21.0 676.877075 18.0 688.370178 27.0 717.41864 22.0 754.948669 21.0 756.986084 20.0 815.155029 19.0 863.325134 22.0 869.559082 19.0 890.855164 20.0 930.508179 18.0 949.307068 20.0 958.178528 18.0 988.39563 18.0 991.311462 17.0 1016.50238 18.0 1017.321716 18.0 1026.570435 18.0 1044.464966 18.0 1047.427856 17.0 1062.469482 18.0 1070.599609 18.0 1075.799561 18.0 1075.892212 18.0 1084.049805 24.0 1084.303101 20.0 1101.108765 28.0 1101.828247 23.0 1109.480591 26.0 1115.643433 22.0 1117.280396 25.0 1124.508789 25.0 1162.599609 18.0 1180.828979 22.0 1182.582397 22.0 1187.99585 42.0 1191.101196 19.0 1197.757446 23.0 END IONS BEGIN IONS SCANS=397 PEPMASS=521.32732 CHARGE=0 COLLISION_ENERGY=0.0 56.643433 63.0 66.277779 40.0 73.846306 43.0 74.420731 59.0 76.239647 58.0 93.249008 85.0 101.123207 43.0 113.322502 58.0 115.298927 47.0 129.665283 39.0 131.082062 818.0 146.966278 36.0 154.062866 93.0 156.078613 102.0 169.292374 62.0 173.103851 8620.169922 174.107605 782.0 175.103958 44.0 206.015945 33.0 214.138489 25.0 215.567612 25.0 227.523849 34.0 241.896423 24.0 244.245972 25.0 250.306763 30.0 258.55835 26.0 259.621521 48.0 270.285034 30.0 280.945557 34.0 297.782715 28.0 302.344513 39.0 343.105316 41.0 347.044983 52.0 347.216217 539.0 348.216797 186.0 349.220947 44.0 365.46701 20.0 366.199768 25.0 380.964691 23.0 381.480042 34.0 383.179626 30.0 392.0159 23.0 403.505035 25.0 422.567322 24.0 425.945282 29.0 434.684784 28.0 436.76886 27.0 447.882019 26.0 462.334808 20.0 463.747253 22.0 475.168915 23.0 480.256104 18.0 491.287292 23.0 497.204773 18.0 544.317078 29.0 544.967834 21.0 557.308899 20.0 558.323181 22.0 559.279907 20.0 560.150513 21.0 572.423767 36.0 584.324219 43.0 612.337891 20.0 619.333069 18.0 629.182678 20.0 637.628235 27.0 653.107178 18.0 677.395386 18.0 695.441467 38.0 708.309387 18.0 743.384033 17.0 766.271362 20.0 807.21814 26.0 820.266846 51.0 839.340454 18.0 840.303223 25.0 926.308594 32.0 926.443481 29.0 930.33313 18.0 933.681519 26.0 945.438416 18.0 989.966064 20.0 1043.674072 26.0 1054.524536 17.0 1065.841064 18.0 1092.020996 19.0 1093.475342 22.0 1111.868408 18.0 1118.00708 20.0 1128.421509 22.0 1147.506104 20.0 1149.205566 18.0 1181.388672 22.0 1188.587891 44.0 1194.569702 17.0 END IONS BEGIN IONS SCANS=398 PEPMASS=173.10395 CHARGE=0 COLLISION_ENERGY=0.0 71.831093 37.0 72.895271 46.0 73.846947 41.0 81.047821 40.0 85.07682 46.0 85.839699 51.0 112.086014 115.0 114.055298 195.0 131.082245 13543.523438 132.084702 909.820068 133.086746 116.0 143.896362 52.0 214.109756 22.0 218.087036 25.0 221.922562 26.0 232.323471 29.0 238.861572 24.0 248.996704 28.0 268.087616 20.0 269.064026 28.0 280.632507 21.0 284.951782 27.0 286.699951 23.0 289.84787 27.0 309.434204 20.0 312.308502 18.0 319.976135 18.0 321.035858 20.0 322.218506 23.0 342.967896 25.0 376.164948 22.0 377.00293 24.0 384.203522 20.0 387.820587 20.0 394.365845 36.0 397.659973 19.0 442.289642 22.0 468.693268 32.0 538.16571 29.0 539.899109 20.0 549.627869 31.0 563.17334 18.0 593.163269 22.0 622.205505 25.000002 783.151062 20.0 808.768005 18.0 900.46637 18.0 1077.421631 31.0 1094.387329 18.0 1157.122314 26.0 1185.965088 21.0 END IONS BEGIN IONS SCANS=399 PEPMASS=154.06168 CHARGE=0 COLLISION_ENERGY=0.0 64.360764 79.0 67.027946 94.0 80.036613 309.0 81.044884 406.0 93.045494 2742.0 94.046394 125.294128 108.056664 341.0 109.041733 252.0 110.071243 625.0 180.123779 77.0 182.999374 29.0 205.243149 22.0 224.171829 27.0 226.692017 20.0 235.455597 21.0 244.409744 20.0 244.465866 26.0 252.720154 18.0 255.884659 21.0 262.626556 35.0 283.918365 23.0 290.605255 21.0 306.009521 24.0 312.026611 38.0 327.235962 20.0 338.082062 19.0 341.576233 18.0 342.4487 20.0 362.096832 22.0 365.741791 22.0 367.666595 18.0 370.715851 18.0 374.217651 29.0 377.68924 22.0 412.186523 18.0 414.759521 24.0 416.922546 18.0 422.512238 18.0 492.352936 18.0 514.58197 20.0 516.056885 28.0 532.256714 20.0 586.615295 22.0 589.395386 18.0 623.362976 17.0 1002.718506 52.0 1012.981567 18.0 1020.650452 19.0 1042.282104 17.0 1057.311523 18.0 1065.158325 19.0 1097.992432 18.0 1105.625854 19.0 1117.086304 20.0 1120.288818 18.0 1139.493408 20.0 1170.236816 26.0 1173.463135 25.0 END IONS BEGIN IONS SCANS=400 PEPMASS=145.09779 CHARGE=-1 COLLISION_ENERGY=0.0 55.701435 36.0 62.587391 37.0 63.444935 53.0 85.030067 38.0 97.077248 188.0 99.093842 46.629932 102.057129 55.0 107.05619 59.0 110.125023 49.0 166.282715 46.0 172.616501 43.0 187.159302 29.0 204.885315 22.0 216.791992 18.0 221.146271 22.0 238.388535 25.0 239.672836 28.0 244.158676 22.0 250.819641 39.0 255.01564 22.0 258.733185 18.0 267.280212 28.0 276.347748 21.0 283.940918 20.0 301.136749 18.0 303.40506 19.0 313.351135 23.0 324.977997 18.0 333.240662 39.0 344.020081 18.0 351.787842 18.0 353.066925 21.0 354.321899 18.0 366.548859 37.0 389.067963 18.0 389.846069 27.0 407.756287 23.0 422.752869 22.0 429.299713 18.0 443.702301 18.0 451.332367 18.0 497.887207 19.0 574.229736 18.0 579.733093 39.0 586.236633 18.0 644.177551 18.0 697.080444 22.0 720.162598 18.0 733.101318 19.0 972.989746 22.0 1059.031128 18.0 1111.549805 20.0 1161.226074 18.0 1167.640991 30.0 1181.687622 18.0 1192.173706 17.0 END IONS BEGIN IONS SCANS=401 PEPMASS=195.05039 CHARGE=-1 COLLISION_ENERGY=0.0 59.012867 908.0 71.01342 754.0 75.008171 6763.745117 85.029396 1027.0 89.023865 963.0 99.008057 907.0 101.024391 352.0 111.008369 354.0 113.025429 178.0 129.018036 2799.0 130.019974 95.0 141.019958 674.0 159.028824 1338.0 225.209259 27.0 232.710938 39.0 239.781036 38.0 253.127396 22.0 255.037979 24.0 257.03598 25.0 267.55835 22.0 287.096008 21.0 293.689392 23.0 300.296082 25.0 313.181702 24.0 313.804382 19.0 329.532104 19.0 346.419617 20.0 346.753448 22.0 350.896118 18.0 368.331055 18.0 373.502258 17.0 374.470367 33.0 390.529297 18.0 408.779358 17.0 427.050812 31.0 438.125763 18.0 440.084137 17.0 457.291107 24.0 469.92981 24.0 475.157043 19.0 475.490845 18.0 480.694458 18.0 528.402039 18.0 532.2146 18.0 537.185913 19.0 556.193604 18.0 570.008667 19.0 593.149414 29.0 595.20459 18.0 624.182434 20.0 627.160645 20.0 641.027649 40.0 656.348511 20.0 716.130981 18.0 721.68103 18.0 769.015076 42.0 775.197693 17.0 844.484985 20.0 854.430969 41.0 870.258362 28.0 873.268433 22.0 898.868713 18.0 910.312256 19.0 958.713318 34.0 991.140198 22.0 999.390259 18.0 1000.304626 22.0 1024.334106 19.0 1025.401123 17.0 1061.365356 26.0 1081.203979 18.0 1089.669312 23.0 1092.218262 18.0 1099.197632 20.0 1116.245117 18.0 1130.254272 18.0 1140.824463 20.0 1148.539429 18.0 1156.165527 18.0 1190.17627 24.0 1197.049072 20.0 END IONS BEGIN IONS SCANS=402 PEPMASS=165.0398 CHARGE=0 COLLISION_ENERGY=0.0 59.013924 178.0 71.013794 138.0 75.00853 2525.899414 78.956032 132.0 87.00914 203.0 99.008507 299.523315 101.026047 46.0 118.033813 34.0 119.040398 60.0 129.020432 293.0 193.035126 45.0 195.043167 40.0 215.511673 24.0 223.24794 29.0 228.687927 30.000002 232.046448 31.0 234.143509 23.0 234.759674 31.999998 251.154343 25.0 253.051315 41.0 265.363281 30.0 280.022522 24.0 287.24884 32.0 297.250275 26.0 300.018982 30.0 304.296478 20.0 309.83905 20.0 317.326569 21.0 333.812469 20.0 349.812927 24.0 354.718292 18.0 357.112427 57.0 357.562897 29.0 383.535156 19.0 389.07666 18.0 397.140289 22.0 434.357086 26.0 493.948151 24.0 497.599915 19.0 504.144684 20.0 507.571411 18.0 528.432129 37.0 550.888672 17.0 559.63208 23.0 679.782898 50.0 833.197144 22.0 913.865051 18.0 930.494202 26.0 937.356201 20.0 952.271118 19.0 974.333862 17.0 974.990967 26.0 981.066833 18.0 988.283569 30.0 1001.121155 18.0 1010.370056 24.0 1012.37854 29.999998 1019.24408 45.0 1058.983154 22.0 1070.184448 19.0 1075.999878 23.0 1081.24707 20.0 1087.536743 20.0 1092.205322 25.0 1129.932617 24.0 1135.078491 18.0 1160.008301 18.0 1168.274536 18.0 1170.420654 18.0 1177.201904 17.0 1197.390625 18.0 END IONS BEGIN IONS SCANS=403 PEPMASS=171.006 CHARGE=0 COLLISION_ENERGY=0.0 52.708344 57.0 68.066467 42.0 78.958458 6763.555664 81.516991 43.0 85.986122 47.0 96.968529 730.0 102.416534 34.0 102.504211 43.0 111.003128 40.0 119.922157 29.0 127.077499 36.0 131.082443 478.0 215.951355 20.0 217.102402 22.0 231.746765 27.0 236.266953 21.0 244.538925 20.0 247.980148 71.450417 256.566376 19.0 269.618561 33.0 270.344452 28.0 272.811584 18.0 273.905518 20.0 278.616852 19.0 305.027283 18.0 308.43277 23.0 326.081177 73.0 330.854034 20.0 339.195099 19.0 343.028137 89.0 368.242981 18.0 394.070892 26.0 481.914581 24.0 484.371399 17.0 487.48819 20.0 506.142456 25.0 555.47052 23.0 558.058105 26.0 563.050659 19.0 597.435181 42.0 769.762695 18.0 798.631042 45.0 958.020569 18.0 1065.161621 20.0 1089.151001 22.0 1125.897949 20.0 1139.236694 17.0 1176.210815 20.0 END IONS BEGIN IONS SCANS=404 PEPMASS=171.00593 CHARGE=0 COLLISION_ENERGY=0.0 78.958626 5502.100098 83.931076 165.0 85.948486 183.0 86.977371 72.0 96.96946 637.621704 99.926781 420.0 127.076797 73.0 129.937759 52.0 130.968369 85.0 131.081329 357.0 136.93602 98.0 139.895828 51.0 203.92186 23.0 209.373459 26.0 216.168243 25.0 216.602707 26.0 222.2724 26.0 232.114563 24.0 250.497955 35.0 253.250854 22.0 262.09726 26.0 269.364166 28.0 283.692261 24.0 289.365295 30.0 310.341827 28.0 311.248016 32.0 313.81842 24.0 316.042542 29.000002 342.470062 24.0 347.201904 34.0 357.96283 20.0 364.569885 28.0 366.426239 19.0 367.513855 20.0 380.912079 22.0 390.998535 21.0 404.491394 19.0 404.520752 33.0 405.250458 18.0 429.390625 24.0 433.749207 23.0 441.132294 35.0 450.292999 18.0 459.702942 20.0 463.684601 18.0 474.321899 25.0 491.575623 22.0 492.499146 20.0 504.592346 30.0 515.49762 22.0 515.869507 24.0 523.327515 22.0 537.649292 22.0 540.739075 24.0 564.653259 28.0 567.111755 22.0 567.707214 17.0 569.464661 18.0 589.533325 22.0 606.761597 20.0 609.315674 18.0 617.024963 22.0 637.454529 19.0 642.566772 18.0 665.011292 28.0 668.673401 18.0 676.8396 19.0 688.064697 25.0 690.810913 20.0 724.010925 22.0 727.753601 17.0 731.258789 38.0 736.288086 21.0 743.443848 25.0 783.759338 19.0 829.598694 18.0 851.900024 18.0 852.545044 29.0 859.00531 18.0 881.374634 18.0 903.847534 18.0 927.949036 20.0 930.181946 18.0 930.955322 18.0 941.862549 17.0 968.550659 19.0 1020.317383 26.0 1036.04834 33.0 1057.153564 17.0 END IONS BEGIN IONS SCANS=405 PEPMASS=154.06167 CHARGE=0 COLLISION_ENERGY=0.0 67.028519 107.0 72.010201 152.0 80.037865 239.0 81.045074 127.0 93.045433 1138.904541 94.046402 75.0 108.059891 244.0 109.042915 128.157349 110.072937 521.0 179.179092 32.0 201.914307 20.0 218.890167 22.0 222.790176 23.0 234.20932 36.0 239.900635 27.0 248.002563 22.0 250.461945 29.0 251.149719 31.0 257.879578 23.0 267.103271 19.0 270.790649 22.0 271.787354 20.0 303.881317 20.0 323.74176 17.0 330.97049 21.0 334.11676 21.0 342.811798 18.0 357.657654 17.0 365.644104 23.0 400.224426 26.0 404.609222 24.0 437.4953 36.0 472.914215 18.0 485.915741 18.0 496.642731 19.0 516.051392 24.0 549.78949 19.0 565.262817 18.0 601.722229 22.0 658.7724 22.0 784.362854 18.0 1008.053406 20.0 1017.011169 31.0 1096.218872 18.0 1108.343262 20.0 1108.682373 22.0 1121.154785 18.0 1150.697876 30.0 END IONS BEGIN IONS SCANS=406 PEPMASS=195.05045 CHARGE=0 COLLISION_ENERGY=0.0 59.013817 196.0 71.013741 112.0 75.007805 869.27533 85.029457 186.0 87.008041 129.0 99.007362 208.0 112.295799 42.0 117.010643 40.0 129.017914 414.0 135.007568 45.0 141.015961 74.827484 142.021774 38.0 156.766357 46.0 159.029892 318.0 160.038544 45.0 170.163406 47.0 253.055527 41.0 257.113434 24.0 258.14267 40.0 281.263397 21.0 295.062134 40.0 296.326538 22.0 306.198669 18.0 311.164062 18.0 312.19989 51.0 334.584839 22.0 337.39093 25.0 338.603241 54.0 352.176086 18.0 355.345276 26.0 355.906403 20.0 364.323883 18.0 371.966278 38.0 373.129242 18.0 410.99176 48.0 418.863708 30.0 423.371277 25.0 423.899536 25.0 429.741058 17.0 458.822144 25.0 462.948853 20.0 469.969421 20.0 483.750793 18.0 484.190674 24.0 510.121063 19.0 512.750488 26.0 539.782471 20.0 540.919983 20.0 575.826599 18.0 610.092407 26.0 700.294678 30.0 701.194702 22.0 736.148926 18.0 743.919678 20.0 768.249084 18.0 775.221863 18.0 782.07428 24.0 784.61908 25.0 827.266052 26.0 833.131348 21.0 856.128723 20.0 858.122437 17.0 867.040649 22.0 894.013428 18.0 909.516113 17.0 929.396545 22.0 956.667908 23.0 964.233887 23.0 974.376038 18.0 980.057312 17.0 993.452332 20.0 1003.153809 20.0 1006.233948 22.0 1006.331421 19.0 1034.633545 19.0 1047.346802 19.0 1048.447388 36.0 1056.331665 23.0 1077.273315 18.0 1086.598755 18.0 1098.251099 33.0 1101.089722 18.0 1101.225586 18.0 1110.122437 18.0 1117.813843 18.0 1119.394287 32.0 1137.008057 20.0 1152.197266 18.0 1158.546631 24.0 1169.017334 17.0 1173.462769 17.0 1174.765015 19.0 1181.245728 18.0 END IONS BEGIN IONS SCANS=407 PEPMASS=131.0821 CHARGE=0 COLLISION_ENERGY=0.0 50.701008 35.0 69.301941 32.0 71.014366 152.0 78.816528 34.0 83.062416 80.0 85.075783 40.0 152.317947 28.0 161.062042 26.0 168.001938 32.0 171.004135 77.0 182.75029 35.0 194.674576 24.0 201.435349 27.0 220.379944 24.0 238.179016 25.0 240.276947 26.0 242.977493 24.0 245.809097 33.0 258.476929 59.0 264.959961 24.0 277.642639 24.0 283.10144 35.0 294.999359 31.000002 296.968231 25.0 305.90094 20.0 311.591614 24.0 328.664337 45.0 333.538452 21.0 346.809021 19.0 347.807648 22.0 353.841461 18.0 354.667877 23.0 384.481354 31.0 395.349365 18.0 407.40033 19.0 452.162598 18.0 478.367462 18.0 498.614105 23.0 510.061554 20.0 513.527954 19.0 558.298706 24.0 600.971619 18.0 634.971436 26.0 863.731628 18.0 924.206238 30.0 1093.512573 18.0 1095.419678 18.0 1097.786133 18.0 1104.237793 17.0 1134.149048 18.0 END IONS BEGIN IONS SCANS=408 PEPMASS=333.05874 CHARGE=-1 COLLISION_ENERGY=0.0 51.254433 51.0 59.364769 33.0 78.958618 1934.0 86.849594 29.0 91.036148 28.0 96.970413 743.0 102.308609 25.0 110.518089 24.0 118.490585 27.0 131.822693 24.0 143.543198 24.0 146.046722 22.0 150.981659 62.0 152.99501 6813.050781 153.996597 342.0 154.058319 61.0 171.006042 963.0 185.091019 42.0 222.998352 58.0 241.010666 4967.755859 241.282257 33.0 242.016327 296.0 243.014069 95.0 246.997589 33.0 253.300568 43.0 258.984314 23.0 259.023285 390.0 260.026398 48.0 294.461853 42.0 297.141632 28.0 355.975464 18.0 362.115662 18.0 376.286285 18.0 376.507355 28.0 384.984833 21.0 395.86087 20.0 404.654419 21.0 413.970795 41.0 414.439514 20.0 430.933014 66.0 431.189362 20.0 437.981842 21.0 463.810547 18.0 465.715027 20.0 479.145569 18.0 481.7948 30.0 515.677551 31.0 529.791687 20.0 543.642822 18.0 543.689453 21.0 554.861511 17.0 566.078735 21.0 574.006042 23.0 592.022156 18.0 600.157104 18.0 623.161682 21.0 647.937195 17.0 917.849915 20.0 986.282471 44.0 1054.238281 30.0 1111.334106 18.0 1134.641479 28.0 1137.070923 24.0 1137.616821 21.0 1184.307373 18.0 1189.331421 18.0 END IONS BEGIN IONS SCANS=409 PEPMASS=158.97798 CHARGE=0 COLLISION_ENERGY=0.0 53.82127 38.0 70.998405 1117.0 72.000198 207.0 72.995094 145.0 86.993477 124.0 93.800491 40.0 114.988441 2304.0 115.989517 569.0 116.704178 37.0 116.985909 459.0 120.340775 52.0 130.978912 129.0 188.267639 31.0 202.181015 55.0 235.00061 34.0 235.364975 28.0 239.022614 33.0 240.565399 47.0 245.306656 27.0 272.960449 18.0 273.964966 64.0 274.956268 28.0 279.805939 21.0 289.950562 38.0 290.952271 20.0 301.191895 18.0 315.050903 19.000002 328.547852 23.0 339.412109 21.0 405.183014 30.0 405.920349 19.0 424.229645 21.0 439.372833 24.0 451.810944 19.0 452.360382 25.0 501.521454 29.0 554.236633 39.0 556.883667 17.0 575.832458 22.0 716.133423 32.0 1009.986755 17.0 1011.763184 20.0 1105.780518 20.0 1192.858765 18.0 END IONS BEGIN IONS SCANS=410 PEPMASS=289.94838 CHARGE=0 COLLISION_ENERGY=0.0 59.806931 43.0 61.987263 994.0 70.994888 40.0 72.128464 30.0 83.253326 80.0 87.98954 39.0 101.455696 36.0 111.023621 48.0 114.988998 120.0 131.977844 1885.752808 132.981461 370.0 133.974991 317.0 158.976913 84.0 160.982132 54.727551 175.96814 3969.0 176.97049 753.0 177.966339 768.0 178.452728 47.0 214.15593 42.0 215.86113 33.0 221.149384 38.0 225.873993 38.0 226.880203 31.0 237.034302 41.0 324.114044 17.0 336.410614 28.0 380.224213 21.0 393.393524 22.0 400.473846 20.0 401.478485 30.0 403.917664 21.0 502.948517 22.0 503.186462 20.0 594.77594 18.0 623.596008 25.0 668.619995 18.0 674.254517 28.0 804.437439 24.0 1077.933838 18.0 1097.080688 18.0 1120.764038 19.0 1137.268799 25.0 1142.509033 19.0 END IONS BEGIN IONS SCANS=411 PEPMASS=272.9586 CHARGE=-1 COLLISION_ENERGY=0.0 61.634048 38.0 69.938133 58.0 70.532684 62.0 70.998215 648.0 72.995682 40.0 86.992752 55.0 109.901993 58.0 114.988708 6410.0 115.99041 572.0 116.986221 781.0 117.9869 66.0 130.984955 167.0 154.968613 127.0 155.969009 117.0 158.97876 6107.0 159.979843 1162.512573 160.975327 767.0 199.958282 98.0 200.964584 76.0 215.382065 40.0 228.971848 44.0 229.875687 27.0 230.915924 30.0 243.357498 26.0 307.940216 18.0 320.896515 22.0 330.970337 18.0 342.122437 18.0 349.182068 19.0 354.232147 22.0 371.21814 26.0 386.933929 65.0 387.92746 20.0 402.912933 18.0 404.936127 20.0 414.708954 44.0 420.889923 20.0 422.787537 20.0 430.262329 32.0 457.019653 20.0 470.137207 37.0 471.453705 20.0 471.566162 22.0 479.96637 38.0 499.048737 113.0 572.876465 26.0 601.364624 18.0 673.808044 22.0 675.280579 20.0 684.331909 18.0 760.894226 23.0 779.563049 18.0 818.476196 23.0 885.264221 28.0 886.785156 18.0 974.905701 22.0 987.782715 18.0 1033.75 19.0 1058.630615 17.0 1060.092896 18.0 1131.825073 17.0 1132.786621 25.999998 1145.803101 18.0 1155.620728 18.0 1173.808716 18.0 1195.216187 20.0 END IONS nf_output/clustering/spectra_reformatted.mgf0000644000000000000000000411126314767266356020544 0ustar rootrootBEGIN IONS SCANS=1 PEPMASS=93.03385 CHARGE=0 COLLISION_ENERGY=0.0 51.387058 21.0 52.349892 18.0 55.699173 18.0 56.37775 24.0 59.753124 20.0 60.264633 51.0 62.509357 20.0 63.68343 22.0 64.474983 18.0 64.686462 22.0 67.757301 21.0 68.03331 19.0 68.238464 18.0 68.833839 27.0 69.436569 17.0 72.711014 18.0 73.007233 22.0 75.363472 17.0 76.212593 18.0 76.851242 46.0 76.95015 25.0 81.447411 22.0 81.588585 25.0 82.240486 22.0 82.59037 34.0 85.44622 31.0 85.7313 32.0 87.029884 17.0 90.651711 18.0 92.191193 19.0 93.032036 86.0 94.035934 40.0 98.116074 20.0 101.037422 17.0 104.481018 18.0 107.192787 18.0 107.976997 22.0 110.190544 20.0 111.62896 18.0 112.984772 44.0 113.052773 42.0 114.124664 18.0 114.496239 20.0 121.320793 17.0 121.908226 21.0 124.733246 24.0 125.374153 20.0 126.249779 20.0 130.355057 17.0 133.351654 21.0 137.175186 24.0 137.238525 18.0 139.688919 21.0 140.4263 17.0 141.796097 20.0 151.746078 19.0 155.986084 18.0 157.603561 18.0 161.08139 21.0 164.08754 25.0 165.073059 18.0 166.249863 32.0 171.029373 20.0 178.809601 18.0 179.653061 20.0 179.981064 19.0 180.307053 35.0 191.999069 18.0 200.511337 20.0 201.444946 30.0 206.437637 20.0 207.046555 18.0 209.79483 18.0 211.309204 19.0 212.902893 19.0 221.067322 20.0 223.00119 23.0 225.20282 30.0 226.727493 17.0 228.9673 22.0 234.080429 22.0 240.994583 28.0 244.734299 18.0 248.217209 22.0 268.653992 18.0 269.510193 18.0 278.171295 19.0 298.092743 32.0 300.128998 18.0 301.908569 25.0 303.246216 18.0 313.208221 22.0 316.432129 22.0 324.288696 20.0 344.29599 17.0 366.56723 20.0 416.602356 17.0 419.964783 27.0 435.152588 20.0 450.478027 18.0 471.143585 17.0 480.475861 18.0 491.018219 21.0 798.969116 52.0 830.468628 27.0 1024.767578 25.0 1048.436646 22.000002 1057.593872 31.0 1114.887451 23.0 1155.464844 25.0 END IONS BEGIN IONS SCANS=2 PEPMASS=342.22828 CHARGE=-1 COLLISION_ENERGY=0.0 58.74844 18.0 68.089233 26.0 69.554611 17.0 70.027863 22.0 71.012314 188.0 76.667862 22.0 83.047531 21.0 84.834312 95.0 88.039612 1491.0 89.043945 66.0 96.992523 160.0 98.995621 17.0 99.041405 18.0 100.935593 23.0 100.976677 18.0 111.044441 20.0 112.82103 22.0 112.98571 17.0 114.016502 90.0 115.002876 796.0 115.987259 31.0 116.006409 17.0 116.930099 70.0 121.034714 33.0 122.337753 18.0 125.944237 40.0 132.031174 230.0 132.93074 20.0 138.220016 40.0 141.05542 20.0 148.797775 18.0 158.023453 20.0 167.035019 18.0 180.996597 20.0 187.062317 18.0 192.101807 22.0 193.09346 18.0 201.908081 17.0 205.006027 22.0 208.206131 22.0 209.070877 22.0 209.190674 18.0 213.07077 18.0 213.17337 20.0 216.123367 18.0 225.185074 20.0 225.220245 17.0 226.217026 3469.496582 227.203278 2066.104736 227.878586 18.0 228.205826 196.0 228.590317 40.0 229.210678 24.0 229.233337 18.0 230.209167 19.0 235.272491 28.0 252.232285 17.0 254.252335 45.0 254.790237 28.999998 264.062653 20.0 267.267456 18.0 279.207886 22.0 280.227997 108.0 281.233795 50.0 281.996704 20.0 284.104309 23.0 285.012512 20.0 293.752136 18.0 298.240204 1320.0 299.239838 343.0 300.240601 46.0 317.151703 25.0 318.786407 18.0 320.813599 28.0 324.21933 91.0 335.864502 23.0 340.33078 18.0 341.133789 18.0 341.201843 69.0 341.238922 18.0 342.18454 26.0 342.227966 3150.0 343.086823 18.0 343.180634 21.121687 343.232056 837.926453 344.010681 23.0 344.235901 59.0 419.574707 23.0 532.73999 17.0 536.569946 18.0 609.288452 18.0 625.804993 18.0 668.239441 19.0 697.835083 25.0 1072.343262 23.0 1183.629272 24.0 END IONS BEGIN IONS SCANS=3 PEPMASS=774.52796 CHARGE=-1 COLLISION_ENERGY=0.0 62.34417 31.0 73.992989 23.0 74.020599 18.0 103.262009 53.0 116.924095 18.0 121.617592 18.0 145.920624 35.0 168.032455 18.0 169.052032 18.0 195.753616 19.0 206.053772 33.0 224.069382 73.0 226.993973 36.0 227.197937 123.0 228.20816 33.0 253.216583 4185.262695 254.222794 575.7771 255.23175 524.0 279.23111 52.0 281.244843 98.0 282.259399 36.0 285.928955 17.0 344.031982 20.0 351.982391 17.0 389.202972 27.0 405.259735 20.0 423.28653 18.0 460.270569 42.0 461.292603 19.0 478.299805 163.0 479.299561 108.0 480.299896 39.0 480.331787 22.0 502.786957 22.0 567.036072 17.0 667.323914 19.0 669.455811 20.0 705.077881 20.0 714.507751 2667.330811 714.922546 17.0 715.080322 19.0 715.511597 829.257812 716.519165 1188.0 717.522888 466.0 718.523071 19.0 729.463867 21.0 749.533264 20.0 764.16272 17.0 774.528198 550.0 775.52594 273.0 776.547607 327.0 777.544495 99.0 818.559509 18.0 834.521912 26.0 873.469727 18.0 956.796753 19.0 990.396545 20.0 996.694336 18.0 1170.354492 22.0 END IONS BEGIN IONS SCANS=4 PEPMASS=414.12185 CHARGE=-1 COLLISION_ENERGY=0.0 57.985554 22.0 66.001396 23.0 84.939125 113.0 87.008232 18.0 88.038254 23.0 89.669998 18.0 98.937393 18.0 98.956528 18.0 99.894768 20.0 99.926758 314.0 100.933372 1132.971924 101.935402 119.0 102.934601 54.0 103.459389 18.0 105.324982 20.0 109.949844 30.0 110.932823 29.0 112.006836 41.0 114.934769 47.0 116.928001 6482.0 116.973747 18.0 117.03849 18.0 117.910217 19.7313 117.928001 469.268707 117.996338 18.0 118.400002 17.0 118.929588 276.003021 119.827576 18.0 119.933495 25.0 121.870811 18.0 121.927315 40.0 123.946716 41.0 124.931023 18.0 124.954514 24.0 125.944305 24.0 125.96595 258.0 126.949776 405.0 128.531357 18.0 128.951294 26.0 132.030914 20.0 141.054504 18.0 141.954041 41.0 144.439438 17.0 149.966446 25.0 150.972488 28.0 151.945694 36.0 152.949554 51.0 155.993301 18.0 156.939911 21.0 166.968918 17.0 168.948608 21.0 169.934311 19.0 169.956314 23.0 170.939087 398.0 170.955841 77.0 171.936752 35.0 172.943909 19.0 180.385818 18.0 180.978378 18.0 183.165115 25.0 184.86525 17.0 189.961838 24.0 196.93689 87.0 197.77211 17.0 198.183243 41.0 198.205933 18.0 199.849518 121.0 201.854813 20.0 203.104462 29.0 215.05098 18.0 217.067535 23.0 217.988739 20.0 222.184494 22.0 224.20372 75.0 225.202652 54.0 225.942871 26.0 231.012283 33.0 244.406387 48.0 253.133102 19.0 255.119766 46.0 262.129639 44.0 266.119537 60.0 267.103699 18.0 267.122223 17.0 268.198822 19.0 268.958008 18.0 269.991425 20.0 270.111237 20.0 270.1987 37.0 273.082306 42.0 274.074738 18.0 278.122742 18.0 280.076752 19.0 280.13562 18.0 282.113586 110.0 282.158478 18.0 283.112762 18.0 288.11203 17.0 289.109558 27.0 290.090607 24.0 290.119659 53.0 291.123749 79.0 296.133514 63.0 297.13855 37.0 304.174072 18.0 306.137238 21.0 308.131042 992.91626 309.133545 287.0 310.050598 17.0 310.130951 92.0 311.008972 18.0 312.167633 36.0 314.202728 77.0 315.358917 18.0 316.102142 112.0 317.098175 40.0 318.909149 27.0 323.118286 23.0 324.123047 114.0 326.014771 17.0 326.137299 86.717331 327.138641 81.0 328.144012 20.0 329.280548 18.0 332.123016 18.0 334.114655 44.0 335.117004 134.0 350.110565 19.0 351.11618 18.0 352.121979 644.0 353.129456 96.0 353.20224 24.0 354.12384 69.0 355.10614 55.0 355.129486 38.0 355.290161 25.0 367.553558 17.0 368.088898 60.0 368.121399 20.0 369.124298 75.0 369.163818 22.0 369.994049 17.0 370.130035 42.0 372.134308 20.0 383.70697 20.0 384.710297 39.0 385.701172 83.0 396.105042 19.0 397.120331 18.0 413.11853 50.0 413.209137 24.0 414.12384 1719.717651 415.123779 512.890686 415.172028 24.0 416.118164 173.591461 417.123322 41.0 417.211945 18.0 455.151855 39.0 584.324097 18.0 600.573425 21.0 610.052734 20.0 651.371216 20.0 672.598511 27.0 729.323853 21.0 1023.52771 18.0 1117.921265 37.0 END IONS BEGIN IONS SCANS=5 PEPMASS=314.19688 CHARGE=-1 COLLISION_ENERGY=0.0 53.000008 24.0 59.012886 43.0 69.555527 23.0 70.029312 117.0 70.498665 20.0 71.013634 998.0 71.030968 39.0 71.052071 28.0 72.005287 18.0 72.018471 39.0 72.520752 18.0 86.025375 24.0 86.784348 17.0 87.723122 18.0 87.777519 21.0 88.039673 12725.725586 88.227463 18.0 88.330933 18.0 88.584282 25.0 88.607445 25.0 88.928764 24.0 89.042641 835.0 89.173233 18.0 89.307121 18.0 90.042747 64.0 90.181084 27.0 90.590202 17.0 90.948792 21.0 95.576988 22.0 96.993111 1101.0 97.996628 17.0 98.992622 21.0 100.932823 124.0 101.067436 25.0 101.636711 17.0 112.98558 26.0 114.020203 964.0 114.079025 20.0 115.003098 5978.0 115.977211 19.0 116.0084 122.0 116.927895 100.0 117.006302 19.0 118.860725 19.0 119.048508 21.0 119.625343 17.0 127.723618 27.0 128.925995 18.0 132.029449 1652.415283 132.928864 17.0 133.034943 50.0 135.410034 18.0 149.368439 18.0 158.89386 19.0 160.935455 18.0 180.176056 130.0 180.942245 19.0 180.990555 27.0 181.161163 197.0 182.16507 23.0 183.170959 47.0 184.858795 18.0 184.991592 25.0 185.008835 17.0 192.185349 18.0 195.297104 20.0 196.043152 17.0 197.193481 89.0 197.227875 17.0 197.685684 18.0 198.185776 23118.0 198.245255 18.0 198.679245 21.0 199.033997 20.0 199.171524 13606.164062 199.225601 17.0 199.400482 19.0 199.624939 20.0 199.790009 18.0 199.810104 18.0 199.849136 189.0 199.975296 21.0 200.136078 17.0 200.175491 1565.107422 200.854431 43.0 200.960236 20.0 201.17009 36.0 201.816727 23.0 202.177536 126.0 202.301956 18.0 202.575851 18.0 202.84201 18.0 204.303589 18.0 205.298431 42.0 208.209015 37.0 210.041946 30.0 212.045227 18.0 214.863037 20.0 216.854309 18.0 224.201248 488.0 226.055588 21.0 226.219086 178.0 227.219666 56.0 229.162323 21.0 246.915604 17.0 252.196793 1396.0 253.199219 248.0 254.171158 37.0 254.198318 17.0 266.258392 18.0 268.958008 18.0 269.168884 17.0 270.206085 9754.0 270.295441 41.0 270.408203 21.0 270.5112 20.0 271.075409 18.0 271.209564 1765.0 271.32193 18.0 272.073273 18.0 272.216095 187.0 273.186676 38.0 281.784454 40.0 283.776855 128.0 284.781555 43.0 285.782166 45.0 289.116791 23.0 296.185364 756.0 296.317444 18.0 297.194885 53.0 297.77951 40.0 298.196503 59.0 298.715973 18.0 300.868927 18.0 309.569 18.0 311.356384 22.0 312.82901 18.0 313.166138 127.253296 313.500519 18.0 314.196075 16496.0 314.273956 72.0 314.369324 18.0 314.511017 17.0 314.601227 18.0 314.96698 17.0 315.079803 21.0 315.125824 20.0 315.200867 3627.868896 316.086426 17.0 316.138184 18.0 316.200745 533.0 316.35553 17.0 316.722565 20.0 316.782501 19.0 316.853943 20.0 317.203491 58.0 318.470459 19.0 320.466736 18.0 322.390442 18.0 324.209564 20.0 375.584961 18.0 398.57605 18.0 412.094299 22.0 415.128693 20.0 426.419373 18.0 528.47644 18.0 651.394104 23.0 931.727478 20.0 934.121033 21.0 1122.434204 18.0 1144.890259 17.0 END IONS BEGIN IONS SCANS=6 PEPMASS=201.07613 CHARGE=0 COLLISION_ENERGY=0.0 58.002731 17.0 59.007225 20.0 62.695435 18.0 68.028336 20.0 69.033463 48.0 69.07238 137.0 70.422432 18.0 73.033577 52.0 74.023666 18.0 75.006599 59.0 76.014244 28.0 79.367531 28.0 83.013527 78.0 83.050331 27.0 83.932175 19.0 84.930481 18.0 85.028358 120.0 88.03727 66.0 93.37632 21.0 95.046265 22.0 97.068077 36.0 99.00956 56.0 99.078926 18.0 99.920776 18.0 99.932655 26.0 103.052284 24.0 112.015709 502.0 113.023788 581.0 113.061646 88.418861 114.026184 18.0 114.929619 20.0 114.947098 27.0 116.926796 57.0 118.927124 18.0 121.059662 18.0 125.061699 18.0 127.074081 170.0 128.082458 25.0 130.06604 29.999998 131.065033 18.0 133.044144 18.0 135.041779 38.0 139.078888 40.0 143.073532 84.0 144.070251 19.0 152.051086 17.0 153.054367 624.0 154.056442 128.0 155.034531 142.0 155.107529 39.0 156.412933 18.0 157.08754 27.0 157.120926 22.0 157.933502 18.0 158.093033 18.0 160.07196 23.0 161.031143 20.0 162.835068 37.0 163.77095 18.0 164.83432 59.0 165.051926 18.0 175.040161 22.0 181.052902 56.0 183.066895 65.0 198.136063 18.0 199.807755 38.0 199.850006 72.0 200.863495 17.0 200.994217 26.0 201.076035 5850.927246 201.250244 22.0 201.288681 18.0 201.470825 20.0 201.8013 18.0 201.849487 38.0 202.005707 20.0 202.0793 499.0 203.077759 26.0 203.127853 85.0 204.030212 18.0 204.094025 22.0 212.28212 30.0 221.180588 20.0 494.085754 18.0 1033.524048 19.0 END IONS BEGIN IONS SCANS=7 PEPMASS=217.10738 CHARGE=-1 COLLISION_ENERGY=0.0 55.019745 33.0 59.013363 746.0 59.185642 17.0 59.25996 22.0 60.01796 18.0 61.023388 44.0 66.683739 17.0 72.047043 42.0 73.026985 20.0 74.025162 63.0 81.037079 59.0 81.549248 23.0 82.036873 19.0 83.049492 148.0 83.84626 20.0 84.051949 18.0 85.064606 47.0 87.032341 20.0 89.02108 18.0 96.036316 18.0 99.005768 36.0 99.920326 22.0 101.932487 18.0 101.946991 23.0 106.044281 33.0 109.066299 42.0 110.100121 39.0 111.08609 219.0 112.987091 56.0 113.097252 283.715302 114.099411 43.0 114.928551 21.0 115.003342 19.0 116.922188 119.0 117.039589 26.0 118.049927 24.0 118.92321 38.0 126.088371 18.0 126.944595 18.0 127.071571 18.0 128.107574 18.0 129.94397 18.0 130.023804 43.0 130.921326 20.0 131.033676 18.0 132.049286 28.0 132.924347 26.0 133.01358 70.0 137.09964 283.0 138.095001 41.0 139.075623 147.0 142.997772 18.0 143.067108 17.0 144.063324 29.0 145.049774 166.0 146.047531 19.0 152.889954 22.0 154.087204 20.0 154.121094 18.0 154.942841 22.0 155.107819 4146.937012 156.053818 46.0 156.111084 447.0 156.607956 23.0 157.086517 11623.0 157.132919 21.0 157.173309 37.0 157.513489 18.0 158.034149 23.0 158.090363 1184.0 158.118484 18.0 158.929657 19.0 159.058243 19.0 159.07756 18.0 159.095993 60.0 159.893997 17.0 160.350616 18.0 161.029037 20.0 171.101166 61.661888 172.099213 86.0 175.046646 53.0 177.004745 28.0 177.879166 18.0 179.457672 17.0 181.086899 72.0 183.854187 18.0 184.857864 24.0 185.857056 34.0 185.904617 19.0 186.113617 20.0 188.039291 20.0 189.055313 20.0 196.254944 17.0 199.096634 961.131409 199.6875 18.0 199.84845 121.0 200.102219 141.0 200.853088 18.0 205.121826 26.0 213.879333 18.0 216.126053 151.0 216.850204 19.0 217.107346 3387.510498 218.112015 548.0 218.156631 18.0 219.025223 20.0 219.088486 55.05159 219.111465 26.0 237.40329 23.0 258.828766 18.0 323.060028 26.0 599.286316 35.0 617.137512 17.0 909.429016 29.000002 END IONS BEGIN IONS SCANS=8 PEPMASS=93.04497 CHARGE=0 COLLISION_ENERGY=0.0 64.179321 22.0 67.964867 18.0 93.046333 149.0 251.193512 30.0 269.879517 39.0 377.128021 20.0 425.694489 18.0 793.527527 21.0 978.630188 18.0 1022.699341 21.0 1155.061157 39.0 END IONS BEGIN IONS SCANS=9 PEPMASS=272.14967 CHARGE=0 COLLISION_ENERGY=0.0 54.029709 17.0 59.73645 26.0 72.501907 20.0 74.023888 163.0 77.059723 19.0 79.959221 91.0 83.011406 19.0 84.040794 56.0 85.048126 20.0 85.943718 23.0 88.042252 18.0 88.991188 21.0 94.225189 21.0 95.010269 18.0 96.959793 18.0 98.072083 18.0 99.925949 43.0 100.037445 39.0 100.57016 18.0 100.927963 21.0 101.042976 18.0 102.055634 1585.810303 102.377975 20.0 102.814659 20.0 102.925278 20.0 103.057465 40.0 104.038887 58.210396 109.055412 18.0 110.041428 30.0 113.098267 23.0 113.941605 17.0 116.576195 17.0 116.922165 20.0 119.086464 18.0 121.923401 17.0 122.975151 22.0 125.095963 79.0 125.86702 18.0 126.296524 19.0 128.034225 1891.0 129.038162 117.0 130.033127 62.0 131.052383 19.0 140.74408 22.0 141.088608 41.0 141.258087 17.0 142.098328 20.0 142.122269 275.0 143.052673 20.0 143.10817 1595.303345 143.383896 24.0 143.936066 17.0 144.108337 78.0 146.044907 313.0 147.047424 59.0 148.047943 23.0 153.053101 20.0 154.122223 20.0 155.087448 44.0 156.042328 18.0 157.941116 17.0 163.02887 21.0 165.020691 36.0 166.157776 20.0 169.546585 18.0 170.118546 27.0 172.132309 18.0 175.031937 20.0 180.02182 18.0 180.947723 21.0 181.944901 24.0 182.118561 93.0 182.931335 17.0 183.117111 17.0 183.138062 20.0 183.942062 51.0 184.131241 93.0 184.169983 613.0 185.132751 44.0 185.168777 189.0 186.142136 23.0 190.044037 20.0 191.091141 26.0 197.957672 22.0 198.110275 139.0 200.129852 97.865013 202.990997 20.0 204.037247 18.0 204.854126 30.0 209.118851 18.0 209.147018 18.0 210.007935 30.0 210.148544 303.0 210.398956 35.0 211.065903 22.0 211.143738 19.0 216.122818 116.0 217.131607 31.0 222.876251 29.0 227.045715 29.0 227.183441 19.0 228.119217 17.0 228.158859 467.0 229.161621 180.0 230.165405 17.0 231.047409 35.0 232.135635 29.0 237.10733 19.0 238.108231 24.0 244.119171 19.0 246.132462 39.0 247.132278 18.0 254.140564 394.0 254.990021 30.0 255.143951 44.0 271.08374 17.0 271.160828 33.0 272.150574 946.237244 273.063782 23.0 273.152893 238.0 273.465149 21.0 274.127106 190.485352 278.420288 18.0 401.555664 24.0 422.97937 21.0 450.984497 20.0 569.279602 22.0 591.920105 20.0 1099.804199 18.0 END IONS BEGIN IONS SCANS=10 PEPMASS=802.56038 CHARGE=-1 COLLISION_ENERGY=0.0 57.998756 31.0 72.995934 38.0 74.820656 24.0 75.009987 17.0 86.507248 20.0 90.031242 32.0 109.729439 18.0 116.926003 27.0 125.279289 18.0 133.462204 18.0 143.033249 19.0 157.015961 20.0 168.045593 64.0 185.656647 19.0 188.545151 17.0 201.843857 18.0 212.972626 20.0 221.932922 26.0 224.06929 84.0 251.44426 17.0 252.581863 22.0 253.215942 1872.0 254.219452 546.0 255.23291 236.0 256.234985 37.0 274.11792 17.0 279.236542 150.0 280.237152 55.0 281.248413 3891.800537 281.29248 24.0 282.252563 825.0 283.25058 93.0 311.166779 21.0 312.288788 18.0 343.099884 18.0 357.437073 18.0 381.224091 30.0 382.235016 20.0 383.075226 19.0 389.207672 18.0 390.207184 18.0 417.242767 90.0 436.256653 18.0 452.278412 25.0 460.102905 20.0 460.287262 70.0 461.285065 19.0 462.296387 18.0 478.289032 273.0 479.29306 100.0 480.313171 134.0 489.312805 25.0 491.300507 20.0 506.324371 38.0 671.456238 37.0 715.516357 17.0 716.51062 20.0 717.560181 23.0 732.499451 37.0 738.47821 19.0 741.532898 90.0 742.056335 18.0 742.53894 3909.849609 742.764099 18.0 743.143494 30.0 743.543823 1657.0 743.856506 21.0 744.551819 1370.597656 744.701355 22.0 745.55426 526.407959 746.551453 59.0 759.499451 17.0 768.892029 18.0 774.537903 34.0 775.527893 18.0 776.534119 60.0 802.560547 819.0 803.551208 344.0 804.576843 276.0 805.000488 18.0 805.57312 118.0 806.038818 18.0 807.247314 18.0 808.620544 22.0 856.549316 18.0 941.565186 18.0 942.620056 19.0 979.606201 23.0 1050.736572 26.0 1090.693726 18.0 1141.062988 23.0 1196.597656 17.0 END IONS BEGIN IONS SCANS=11 PEPMASS=178.05023 CHARGE=0 COLLISION_ENERGY=0.0 65.041435 30.0 77.038605 259.0 96.020363 18.0 102.031693 20.0 103.038322 18.0 104.017235 28.0 105.033981 18.0 105.052345 27.0 106.90387 18.0 107.141571 21.0 109.029152 18.0 110.998985 17.0 120.01825 22.0 120.902992 19.0 123.008041 41.0 124.072365 22.0 125.024475 20.0 132.044449 29.0 132.911423 21.0 132.93576 21.0 133.033112 30.0 134.061813 451.0 135.042831 52.0 135.062119 61.0 141.229446 18.0 150.020142 18.0 151.038315 20.0 156.144485 22.0 162.028168 17.0 174.383667 20.0 175.727036 19.0 177.019547 126.0 177.848434 20.0 178.016052 19.0 178.050323 765.0 178.979263 20.0 179.057159 53.0 179.105728 18.0 180.004318 21.0 180.070938 22.0 181.009262 18.0 181.05542 29.0 181.077682 23.0 181.789185 31.0 230.325699 18.0 359.123718 23.0 381.195221 19.0 554.266907 18.0 555.274658 34.0 605.963074 23.0 END IONS BEGIN IONS SCANS=12 PEPMASS=188.94898 CHARGE=0 COLLISION_ENERGY=0.0 59.010761 28.0 71.01226 21.0 83.931221 53.0 84.93766 235.0 85.030632 43.0 85.942421 21.0 86.031448 17.0 87.00721 50.0 87.611664 28.0 88.929001 18.0 89.020569 80.0 89.079155 18.0 91.057442 20.0 96.938774 21.0 98.017212 17.0 98.953552 112.0 99.924919 681.0 99.956017 22.0 100.933327 1046.235229 100.968292 63.0 101.920517 19.0 101.933609 52.057514 101.94442 85.94249 102.040794 19.0 102.231934 18.0 102.930336 37.0 102.947945 18.0 102.961327 17.0 109.060677 46.0 111.008766 284.0 112.933342 20.0 113.94342 20.0 114.947037 43.0 115.014618 28.0 115.952087 127.0 116.021111 47.0 116.900665 25.0 116.92804 6364.17627 117.801109 18.0 117.928856 836.345703 118.419495 19.0 118.539665 20.0 118.927284 217.0 119.929276 31.0 123.049133 22.0 124.938332 19.0 126.948311 695.0 127.951134 61.0 129.017334 19.0 129.945938 17.0 136.07576 19.0 140.928299 170.0 141.928497 17.0 142.380707 27.0 142.925705 17.817051 142.942764 82.182945 143.941971 31.0 144.927078 21.0 144.958221 136.0 145.953506 17.0 146.929977 18.0 158.930878 23.0 161.890152 24.0 166.056442 26.0 170.935013 77.636368 171.022186 27.0 171.944748 41.0 173.04039 19.0 174.861389 19.0 176.012833 22.0 188.044739 36.0 188.949356 517.0 189.951202 121.0 192.011566 60.0 192.039062 37.0 193.021362 45.0 193.050232 37.0 194.340912 17.0 228.740143 19.0 269.961914 18.0 367.009369 18.0 744.567749 18.0 1184.670898 23.0 END IONS BEGIN IONS SCANS=13 PEPMASS=204.12365 CHARGE=0 COLLISION_ENERGY=0.0 55.017956 19.0 58.027962 18.0 61.02914 20.0 70.377335 26.0 71.049896 727.0 72.045662 316.0 73.046097 18.0 73.880501 18.0 74.060768 392.0 85.064384 20.0 89.023079 22.0 92.999527 44.0 93.031746 21.0 98.057426 20.0 99.045296 311.0 100.586998 20.0 100.93399 18.0 101.061874 70.0 101.941864 21.0 102.055359 1357.0 103.060333 66.0 105.05452 17.0 108.077774 17.0 110.022614 27.0 111.00843 40.0 113.072433 21.0 113.946632 45.0 116.036942 25.0 116.980515 20.0 118.990509 42.0 123.046364 38.0 126.091324 103.0 127.09436 20.0 129.052658 17.0 134.469162 20.0 135.899719 21.0 136.06601 20.0 143.094574 24.0 144.923813 18.0 146.082642 57.0 156.100677 62.0 157.103439 20.0 158.067261 18.0 159.938202 20.0 160.892578 25.0 161.023453 29.0 164.038132 21.0 169.059555 21.0 171.949478 44.0 172.09581 59.0 172.948349 35.0 172.973373 31.0 174.112305 25.0 177.056183 18.0 189.047775 17.0 192.00589 35.0 202.994781 27.0 203.801193 18.0 204.124359 2300.0 205.126801 345.0 205.94426 21.0 206.01091 24.0 206.054626 31.0 206.128479 20.0 207.111176 49.0 208.06398 26.0 211.096054 18.0 212.107117 22.0 286.936951 27.0 470.056213 18.0 870.578003 26.0 1076.571411 23.0 END IONS BEGIN IONS SCANS=14 PEPMASS=293.1786 CHARGE=-1 COLLISION_ENERGY=0.0 59.628155 20.0 60.530285 28.0 79.958771 106.0 89.024689 31.0 89.409966 25.0 95.954269 49.0 96.87896 20.0 96.959717 6581.0 97.015541 18.0 97.362282 23.0 97.962288 76.0 98.610596 21.0 98.955544 203.0 99.884247 25.0 100.013931 23.0 113.063408 18.0 119.512199 20.0 137.053711 18.0 140.384888 22.0 153.055847 18.0 153.093079 22.0 165.096558 18.0 166.061127 28.0 173.0233 19.0 173.903976 17.0 175.039032 21.0 175.075638 17.0 177.085907 18.0 183.014252 64.0 184.019043 21.0 192.115356 48.0 193.055145 18.0 197.033066 36.0 206.936188 17.0 209.036499 23.0 211.041794 18.0 219.944427 18.0 220.150818 87.0 221.154282 349.0 222.159851 119.0 230.005081 25.0 235.104111 22.0 236.104416 287.0 237.10733 17.0 249.113754 18.0 251.165817 17.0 253.128403 25.0 261.983673 20.0 262.079163 18.0 274.985413 22.0 278.161102 21.0 281.021851 22.0 289.891083 18.0 292.188507 18.0 293.000458 18.0 293.179596 14536.854492 293.726562 17.0 293.981354 19.0 294.132111 62.0 294.182068 2780.939941 294.735168 17.0 295.133057 37.0 295.17688 859.0 295.38208 17.0 295.908783 23.0 296.179077 182.0 297.155426 410.851227 297.60199 18.0 299.689331 18.0 300.898071 20.0 347.720825 28.0 458.211151 18.0 489.987549 18.0 617.934448 17.0 637.469116 19.0 828.603088 20.0 1050.771606 27.0 1075.694336 18.0 1082.772339 18.0 END IONS BEGIN IONS SCANS=15 PEPMASS=776.5434 CHARGE=-1 COLLISION_ENERGY=0.0 70.968117 17.0 89.294548 24.0 91.089684 21.0 96.970535 19.0 100.528801 17.0 112.884438 23.0 168.043655 77.0 224.064713 21.0 224.914291 22.0 225.072205 24.0 227.200577 142.0 227.962418 18.0 252.601379 17.0 253.21756 2261.154541 254.221375 824.0 255.233917 864.845825 256.236481 93.0 256.292603 20.0 267.300079 28.0 281.247528 292.0 282.258698 54.0 293.177338 30.0 311.162354 18.0 349.93634 18.0 369.560852 17.0 390.212555 17.0 391.228363 21.0 415.763947 17.0 431.832764 18.0 452.271484 36.0 460.277313 39.0 461.284729 18.0 478.300446 62.0 479.145538 18.0 479.289948 52.0 480.309387 171.0 481.297913 18.0 481.324799 36.930767 482.302429 22.0 578.074646 20.0 585.736389 20.0 614.476379 21.0 639.249695 31.0 647.463745 17.0 679.147827 33.0 688.489075 18.0 707.371643 20.0 715.513245 520.0 716.521973 2437.0 717.525635 1226.245972 717.933655 18.0 718.532776 186.0 719.530579 97.0 733.264282 22.0 775.541016 109.0 776.545959 762.0 777.552612 326.0 778.563049 81.0 END IONS BEGIN IONS SCANS=16 PEPMASS=774.52887 CHARGE=-1 COLLISION_ENERGY=0.0 50.561012 18.0 60.919415 56.0 61.989246 22.0 67.448601 18.0 81.9953 29.0 84.375786 18.0 104.411835 20.0 114.506111 17.0 136.460892 24.0 145.923523 22.0 145.948624 37.0 161.902512 18.0 166.887619 23.0 168.041229 101.0 199.292282 18.0 223.956223 18.0 224.069672 154.0 225.18898 54.0 227.198898 52.0 227.216507 24.0 250.488647 18.0 253.216705 5796.523926 253.561386 18.0 254.221832 975.0 255.233521 732.108093 255.603302 19.0 257.571899 20.0 258.203674 19.0 259.113495 18.0 266.144989 23.0 279.2341 113.0 280.240173 18.0 281.246002 257.0 282.260803 68.0 343.951141 27.0 389.197723 21.0 391.40921 18.0 443.254333 20.0 453.295166 22.0 460.292603 18.0 462.286926 18.0 478.293091 362.0 479.293823 49.0 643.412781 26.0 704.956482 22.0 714.50708 4034.012207 715.508301 1359.0 716.518433 1924.07312 716.64679 17.0 717.520935 567.348083 721.871521 18.0 729.276184 68.0 774.529907 786.0 775.538208 271.0 776.542542 396.0 777.542969 192.0 788.640808 23.0 790.553894 18.0 792.528625 25.0 915.632446 31.0 END IONS BEGIN IONS SCANS=17 PEPMASS=309.17367 CHARGE=-1 COLLISION_ENERGY=0.0 53.782017 21.0 66.966316 26.0 72.909004 20.0 78.839859 18.0 79.95826 275.0 80.963997 18.0 81.955742 69.0 84.875145 29.0 89.025551 17.0 91.018318 20.0 94.978699 37.0 95.951981 92.0 96.892021 23.0 96.959732 5252.020508 97.024361 18.0 97.370277 17.0 97.438164 18.0 97.959244 100.0 98.955688 300.829132 115.006935 18.0 122.976051 317.0 123.902184 17.0 123.983658 18.0 124.974426 31.0 125.978455 22.0 130.051682 53.0 138.965317 35.0 149.079666 17.0 150.955109 24.0 153.994492 19.0 159.105438 18.0 162.899963 27.0 163.884445 18.0 169.564407 27.0 170.009048 21.0 174.985168 18.0 178.23439 33.0 181.082809 18.0 183.012085 670.0 183.175858 24.0 184.021103 95.0 185.008759 23.0 192.103333 20.0 193.047928 17.0 194.032684 24.0 197.019714 111.0 208.068375 18.0 212.048172 30.0 220.707748 20.0 223.054321 17.0 226.074554 24.0 238.047424 18.0 238.067871 17.0 248.219666 46.0 265.217529 18.0 268.170929 17.0 279.172821 19.0 292.001556 18.0 293.185822 40.0 304.476501 18.0 308.147064 23.0 308.490723 17.0 309.041199 18.0 309.173798 18982.033203 309.294983 17.0 309.609589 19.0 310.081818 23.0 310.1763 3618.32959 311.076508 18.0 311.169525 4251.429199 311.861725 18.0 312.17215 623.0 313.163574 72.0 314.196411 20.0 314.732422 37.0 314.888855 18.0 315.059906 23.0 513.30072 22.0 774.5177 36.0 776.539978 18.0 777.553894 19.0 801.543579 17.0 1018.535645 18.0 1148.643799 18.0 1195.807373 23.0 END IONS BEGIN IONS SCANS=18 PEPMASS=353.19948 CHARGE=-1 COLLISION_ENERGY=0.0 59.533817 20.0 68.255104 45.0 79.958771 104.0 81.951126 19.0 84.003258 19.0 94.977852 41.0 95.951279 25.0 96.959473 2190.0 97.960747 18.0 98.955971 151.0 99.039703 18.0 122.02475 65.0 122.973686 210.0 123.982155 80.0 125.064781 19.0 128.034805 25.0 128.574692 32.0 135.040298 22.0 140.979141 18.0 143.956528 25.0 148.926849 20.0 166.698669 22.0 167.08316 19.0 183.084167 19.0 183.142319 18.0 186.123749 26.0 192.119492 21.0 194.927444 25.0 211.026199 20.0 225.09166 18.0 235.197495 23.0 238.152237 18.0 245.082214 20.0 259.178162 20.0 261.880798 18.0 268.007843 40.0 275.078247 18.0 290.1474 17.0 299.676422 19.0 335.194916 19.0 337.20993 22.0 342.183105 23.0 349.069458 17.0 352.005676 20.0 353.146942 49.0 353.200287 12858.78125 353.361877 20.0 353.390991 31.0 353.473572 18.0 354.203491 2772.0 354.295197 24.0 355.147339 25.0 355.200165 1038.0 356.150513 19.0 356.205994 130.121414 356.647064 20.0 362.307953 21.0 457.716766 30.0 635.708557 23.0 END IONS BEGIN IONS SCANS=19 PEPMASS=202.10788 CHARGE=-1 COLLISION_ENERGY=0.0 57.03474 30.0 59.014988 40.0 60.993805 59.0 64.187798 18.0 69.029831 22.0 72.045532 19.0 72.963501 18.0 74.003952 17.0 74.024147 2659.0 74.153885 18.0 74.891434 19.0 75.029381 56.0 75.286804 19.0 76.683929 17.0 77.032722 26.0 83.193375 38.0 84.008514 37.0 84.045013 59.0 87.006424 18.0 88.397316 20.0 89.023277 191.849808 90.022888 18.0 94.988831 27.0 95.050026 36.0 96.959732 29.0 97.064796 605.0 98.45739 20.0 99.042953 20.0 99.084229 43.0 99.923012 38.0 100.925568 18.0 104.034439 615.0 105.034508 86.0 110.095886 65.0 111.075333 22.0 113.012154 35.0 113.024368 38.0 113.096756 696.0 113.977402 18.0 114.092484 96.0 115.016487 20.0 115.076805 88.0 116.925285 109.0 116.948502 20.0 117.929855 37.0 126.091728 227.0 127.094437 26.0 127.960999 18.0 128.107864 883.0 129.050995 20.0 129.1073 95.0 130.11142 18.0 130.982224 18.0 139.111664 19.0 139.367111 18.0 140.107452 2153.0 140.190231 18.0 141.086105 64.477005 141.110306 258.0 142.111588 23.0 143.060837 20.0 145.015091 17.0 148.05365 17.0 150.021988 42.0 150.050629 27.0 154.086655 1514.0 155.088165 61.0 155.952927 36.0 156.947357 22.834612 156.960922 47.022949 157.97464 31.0 158.11467 25.0 159.052261 18.0 161.064789 20.0 170.540222 17.0 172.097641 2459.0 173.100479 328.0 173.142746 17.0 174.106262 67.0 175.171005 20.0 177.027206 19.0 183.100998 29.0 184.063004 18.0 185.080902 22.0 186.34642 27.0 187.034836 24.0 193.043152 21.0 200.856018 18.0 201.035126 23.0 201.077911 22.0 201.113113 17.0 202.108063 1497.0 203.008591 41.0 203.110809 85.114708 203.131134 36.274822 204.026459 18.0 204.115524 23.0 205.909988 18.0 207.610535 19.0 213.149979 30.0 241.06781 20.0 265.148254 151.0 266.159088 44.0 272.531891 18.0 305.037201 21.0 309.172424 77.0 311.170135 18.0 325.178711 18.0 326.180206 23.0 339.202972 18.0 340.21991 25.0 353.188477 36.0 354.19809 18.0 358.088806 20.0 397.2211 18.0 415.238647 20.0 428.222198 19.0 430.227844 19.0 613.321289 18.0 800.540405 18.0 805.357788 20.0 814.273071 18.0 841.123108 24.0 906.639893 23.999998 992.654602 18.0 1050.724121 18.0 1055.734741 20.0 1077.538086 18.0 1084.562622 26.0 1084.820068 20.0 1150.775757 18.0 END IONS BEGIN IONS SCANS=20 PEPMASS=397.22626 CHARGE=0 COLLISION_ENERGY=0.0 57.336315 18.0 58.284618 19.0 62.810207 40.0 79.956345 62.0 80.184494 19.0 96.959389 1033.0 97.960121 18.0 98.942596 18.0 98.957344 30.999998 102.337593 28.0 116.928032 18.0 122.976746 59.0 123.984589 19.0 128.042725 44.0 129.10498 21.0 148.117355 19.0 150.129196 18.0 155.141159 20.0 160.893814 20.0 163.892944 18.0 180.892578 20.0 187.740433 28.0 225.07048 23.0 241.195801 31.0 242.992722 19.0 265.153046 86.0 267.144806 42.0 299.060089 29.0 300.205933 40.0 306.946777 31.0 309.242615 18.0 314.027771 20.0 324.554565 38.0 335.116669 17.0 341.110931 18.0 353.342377 22.0 355.154144 22.0 362.949921 18.0 369.108002 20.0 391.455292 20.0 397.085724 21.0 397.111115 20.0 397.177063 19.0 397.225739 8041.790039 397.359375 17.0 398.115753 18.0 398.16684 17.0 398.228485 1892.0 399.003174 33.0 399.154633 18.0 399.226105 906.666443 400.22403 121.0 401.2117 20.0 407.340515 18.0 605.354309 22.0 END IONS BEGIN IONS SCANS=21 PEPMASS=171.06572 CHARGE=0 COLLISION_ENERGY=0.0 50.675457 28.0 73.025993 20.0 77.126129 18.0 83.120995 22.0 83.929565 59.0 84.926842 22.0 85.949509 37.0 87.003853 19.0 88.42527 20.0 111.082413 37.0 116.77034 20.0 125.352303 23.0 127.076256 7268.070312 127.686638 18.0 127.922844 19.0 128.078171 444.0 129.081909 18.0 130.349686 18.0 134.866501 71.0 136.863678 25.0 141.891739 27.0 142.8909 17.0 145.049988 25.0 168.617371 18.0 170.358383 37.0 171.066391 1565.0 171.943451 20.0 172.070221 101.0 173.067825 18.0 174.056656 18.0 191.018372 28.0 215.210938 17.0 328.022064 23.0 339.194916 17.0 674.992859 25.0 942.093567 20.0 1001.945007 17.0 1093.289795 22.0 1110.739746 23.0 1122.375244 35.0 END IONS BEGIN IONS SCANS=22 PEPMASS=127.07591 CHARGE=0 COLLISION_ENERGY=0.0 55.997494 18.0 68.965523 19.0 68.996361 18.0 91.35817 29.0 98.936432 29.0 127.076149 118.0 128.082657 18.0 131.025894 60.0 144.922852 20.0 163.018509 21.0 167.352127 20.0 172.069061 17.0 193.633881 17.0 235.816071 19.0 236.10228 18.0 265.156036 17.0 267.140869 24.0 297.523865 21.0 309.183807 18.0 310.186127 18.0 311.159607 23.0 312.1763 18.0 353.193115 18.0 397.0177 19.0 420.249298 20.0 424.197021 22.0 506.505432 19.0 590.195557 18.0 688.124146 22.0 705.421997 20.0 715.527039 25.0 742.520386 18.0 791.145752 21.0 791.509888 25.0 852.463501 23.0 951.511719 20.0 1025.746094 33.0 1034.765747 22.0 1154.651123 28.0 END IONS BEGIN IONS SCANS=23 PEPMASS=258.13404 CHARGE=0 COLLISION_ENERGY=0.0 57.063984 22.0 59.011715 37.0 66.993851 21.0 69.032555 52.0 70.025055 24.0 71.012436 172.0 83.051865 18.0 84.049461 20.0 86.803635 17.0 87.008873 20.0 88.03907 1075.0 88.546577 18.0 89.021866 20.0 89.038376 59.0 96.007935 18.0 96.356689 18.0 96.993523 91.0 98.002373 18.0 99.087036 30.0 99.92968 20.0 101.023483 21.0 108.015213 19.0 108.056099 17.0 109.027008 21.0 111.04184 20.0 114.023048 174.0 115.002563 212.0 115.071953 22.0 116.024048 22.0 116.926018 22.0 117.390724 24.0 121.090851 18.0 123.080437 20.0 124.011795 21.0 124.050354 19.0 124.112701 18.0 125.110321 22.0 129.02475 25.0 131.021606 22.0 131.049835 50.0 132.028778 128.0 132.048798 19.0 133.922745 18.0 136.076279 28.0 137.045959 20.0 138.013702 39.0 139.89859 18.0 140.893158 18.0 141.019272 21.0 141.12944 23.0 142.122864 1765.674072 142.892685 18.0 143.105545 396.614288 143.130539 207.385712 143.897064 42.0 144.113983 38.0 144.140839 18.0 144.819031 22.0 145.029144 18.0 146.974045 18.0 147.068558 25.0 151.008331 25.0 151.075836 17.0 151.110382 21.0 153.054886 21.0 153.101974 25.0 156.076889 27.0 158.901093 33.0 159.893066 36.0 160.886169 52.0 161.048401 20.0 161.892593 22.0 162.023071 24.0 163.085297 18.0 166.120102 22.0 166.863266 19.0 168.140778 39.0 169.149734 41.0 170.931763 20.0 172.097427 32.0 172.930023 17.0 173.027039 44.0 177.087784 18.0 179.066589 17.0 183.065491 202.0 184.070267 27.0 184.857651 20.0 185.07579 18.0 187.890213 18.0 188.881546 22.0 191.993973 26.0 193.052032 45.0 196.142471 23.0 196.995209 22.0 197.153671 17.0 199.021896 23.0 201.831665 36.0 203.82756 37.0 206.834091 27.0 212.087601 18.0 213.109634 20.0 214.144775 684.976501 214.971619 18.0 215.147232 68.0 215.919479 36.0 217.914886 17.0 218.039734 17.0 219.035126 18.0 219.854279 20.0 221.82608 18.0 221.851379 17.0 222.652618 21.0 224.839508 32.0 227.056808 191.0 229.218475 18.0 231.480316 22.0 231.910477 52.0 239.132523 61.0 239.170609 45.0 241.120987 38.0 243.885544 27.0 246.019409 19.0 255.453033 23.0 257.152924 60.999996 258.13562 619.0 259.031189 27.0 259.096863 81.302559 259.135193 112.697441 260.062042 18.0 261.047729 21.0 352.715546 27.0 353.555725 24.0 END IONS BEGIN IONS SCANS=24 PEPMASS=316.21264 CHARGE=0 COLLISION_ENERGY=0.0 57.220852 18.0 57.385292 22.0 73.051758 22.0 74.02404 1371.0 74.498131 22.0 74.798553 18.0 75.02597 70.0 84.04541 18.0 85.707146 20.0 89.024269 18.0 95.106636 20.0 96.05201 18.0 97.062874 18.0 99.085739 25.0 111.08271 59.0 113.938629 40.0 117.000992 18.0 122.031776 32.0 123.284676 18.0 127.018875 20.0 130.09198 22.0 132.903595 19.0 138.020355 18.0 141.41507 18.0 142.123474 70.0 144.923737 18.0 145.103714 22.0 149.002167 23.0 155.947433 19.0 156.065872 257.0 156.895905 33.0 158.979202 26.0 159.883972 18.0 161.936874 18.0 162.843018 22.0 167.043518 18.0 168.106781 20.0 169.935944 31.0 170.118317 138.0 171.116196 18.0 179.122803 23.0 182.166458 21.0 184.136826 65.0 185.087982 18.0 185.116135 18.0 186.055771 18.0 196.173965 18.0 197.054184 17.0 198.153107 54.0 199.854187 38.0 203.831161 18.0 210.187149 68.0 213.072754 19.0 213.342209 20.0 216.855972 17.0 223.835007 18.0 225.991348 19.0 226.019684 22.0 226.171951 38.0 227.967575 22.0 229.106735 20.0 229.159714 80.0 236.200058 20.0 238.184113 18.0 245.980759 18.0 246.019089 43.0 246.187729 20.0 247.796265 27.0 252.191681 20.0 254.20546 20.0 256.120972 22.0 256.188385 17.0 256.924103 20.0 259.823669 33.0 270.071106 23.0 270.207947 98.0 271.215118 58.0 275.118225 18.0 283.793945 18.0 284.77063 22.0 301.765411 18.0 315.108704 48.0 315.141113 27.0 315.200958 280.0 316.213257 3207.600342 317.217499 549.0 318.219879 98.0 319.156891 28.0 319.203796 19.0 319.219086 46.375786 320.210052 19.0 351.156494 21.0 362.020691 18.0 441.25882 17.0 714.479248 22.0 895.624573 38.0 995.431458 18.0 1037.799805 22.0 1176.664062 20.0 1180.636597 21.0 END IONS BEGIN IONS SCANS=25 PEPMASS=89.02355 CHARGE=0 COLLISION_ENERGY=0.0 58.108818 20.0 70.225571 39.0 87.010956 49.0 88.016693 20.0 89.023537 1833.0 89.177292 18.0 90.024406 37.0 91.026283 41.0 116.931381 57.0 118.954865 28.0 175.051941 23.0 181.700836 63.0 190.945358 17.0 191.013412 17.0 198.936981 17.0 242.098236 24.0 265.142517 18.0 269.072906 18.0 297.151489 22.0 311.161316 62.0 319.226196 18.0 325.178711 18.0 339.19751 139.0 342.199829 18.0 345.167786 18.0 353.251251 28.0 400.124329 18.0 409.374817 22.0 425.106659 20.0 434.155731 22.0 441.344574 18.0 487.283356 25.0 508.246826 43.0 552.342407 18.0 578.289795 19.0 670.297546 17.0 725.422119 20.0 738.311218 23.0 740.398315 19.0 778.432556 18.0 800.100647 18.0 820.47406 24.0 832.360962 28.0 859.513367 32.0 953.483887 18.0 1070.718628 18.0 1150.668945 18.0 END IONS BEGIN IONS SCANS=26 PEPMASS=244.11834 CHARGE=0 COLLISION_ENERGY=0.0 59.013458 72.0 71.16671 17.0 74.024094 154.0 75.008209 20.0 83.92627 63.0 84.005989 17.0 84.048409 74.0 84.926811 20.0 85.02993 22.0 87.224167 18.0 87.559776 17.0 88.03894 21.0 89.02552 24.0 91.04789 18.0 91.118866 29.0 91.911552 17.0 98.024178 48.0 99.925461 1510.0 100.034492 19.0 100.076141 20.0 100.924889 140.0 101.926056 20.0 102.034576 23.0 102.056084 840.0 102.093231 18.0 102.54287 22.0 103.057671 36.0 105.00872 20.0 105.036263 17.0 109.94471 23.0 111.086266 20.0 111.960403 56.0 112.076042 49.0 112.13942 18.0 112.826385 18.0 112.963493 89.278961 114.09214 269.0 115.020088 56.0 115.076202 666.851379 116.034081 91.0 116.049423 59.945675 116.077919 35.0 116.778831 20.0 125.059608 21.0 126.082687 25.0 127.10833 23.0 127.958061 662.0 128.0345 1059.0 128.112869 22.0 128.959549 47.000004 130.070145 20.0 130.95932 17.0 132.69397 28.0 133.00383 26.0 133.104904 28.0 137.019501 44.0 137.065521 89.0 137.733749 22.0 137.941711 185.590607 138.940643 66.593018 138.951599 30.0 138.997406 18.0 139.11348 18.0 139.354645 18.0 139.947189 25.0 142.064987 35.0 146.043854 112.0 147.046616 20.0 148.055496 20.0 149.058517 48.0 151.076385 37.0 152.944244 18.0 153.941055 49.0 153.960693 18.0 154.125046 46.0 154.936234 18.0 155.951523 4049.0 156.100052 20.0 156.139999 444.0 156.952209 503.0 157.087082 21.0 157.145233 39.0 157.225433 27.0 157.454941 20.0 157.596405 17.0 157.952118 186.0 158.215561 20.0 159.095932 18.0 162.067078 18.0 164.107376 18.0 165.123703 20.0 167.998825 45.0 168.53923 18.0 169.001968 18.0 169.08342 18.0 169.418198 18.0 173.080246 18.0 173.958099 40.0 177.020676 22.0 181.055481 17.0 181.153336 18.0 181.96579 17.0 182.121506 139.0 196.092255 17.0 197.259109 18.0 199.974854 18.0 200.046097 27.0 200.128845 396.0 201.091202 21.0 201.136063 18.0 202.102371 17.0 203.083984 289.0 204.097794 22.0 208.82724 20.0 214.109924 191.0 215.040115 26.0 215.115158 52.0 225.019104 17.0 225.071808 18.0 225.95491 21.0 226.109924 237.0 226.954895 19.0 227.116837 58.0 242.971786 18.0 243.037643 18.0 243.106216 22.999998 243.192764 24.0 243.96373 289.0 244.120682 627.0 244.96051 18.0 245.091187 159.99823 245.120239 170.58226 245.148956 24.934532 246.127228 22.0 247.071442 18.0 247.172318 18.0 257.823944 20.0 262.42749 18.0 282.932831 20.0 295.34845 20.0 300.138763 33.0 309.161041 18.0 311.172974 59.0 312.17395 28.0 323.171356 25.0 339.200073 265.0 340.199097 74.0 341.193298 19.0 342.199829 18.0 369.228577 17.0 412.207245 18.0 437.220367 24.0 439.113647 18.0 469.133392 22.0 485.275085 18.0 503.177094 17.0 519.371826 18.0 529.311401 18.0 781.284607 21.0 797.547913 30.0 798.517761 18.0 809.575195 17.0 861.352722 21.0 880.504578 18.0 959.429932 24.0 1020.439148 40.0 1036.953491 18.0 1068.754028 24.0 1145.591919 28.0 END IONS BEGIN IONS SCANS=27 PEPMASS=194.08163 CHARGE=0 COLLISION_ENERGY=0.0 58.030235 73.0 59.134804 21.0 71.01162 25.0 79.083702 18.0 82.034035 18.0 91.053001 55.0 92.041496 36.0 92.052094 44.0 93.031876 43.0 93.049057 18.0 95.022446 17.0 95.054138 21.0 96.017494 36.0 97.811615 17.0 103.17083 20.0 105.032394 39.0 107.050621 102.0 108.050369 49.0 109.031792 25.0 122.03772 995.60376 122.061142 20.0 123.044868 3371.0 124.017647 20.0 124.049576 327.0 124.987129 18.0 125.026474 18.0 125.171837 18.0 127.03479 18.0 130.987442 27.0 132.868591 32.0 133.056534 68.0 134.866333 39.0 135.00943 21.0 135.043274 257.0 143.895691 52.0 151.028854 26.0 151.057007 37.0 152.032227 20.0 152.071793 39.0 158.847748 20.0 160.842239 159.0 162.031219 20.0 162.84079 56.0 163.005219 18.0 175.038086 17.0 176.072708 57.0 182.058975 20.0 193.072006 17.0 194.048889 20.0 194.082092 2900.0 195.0858 300.296448 196.095871 23.0 196.136566 23.0 197.089005 17.0 197.801666 22.0 220.871979 17.0 235.265869 18.0 1047.397583 18.0 1059.388062 17.0 1189.776123 23.0 END IONS BEGIN IONS SCANS=28 PEPMASS=111.01944 CHARGE=0 COLLISION_ENERGY=0.0 50.118153 17.0 52.637676 18.0 58.193268 24.0 65.013924 20.0 68.014877 18.0 68.994652 121.0 76.675987 20.0 79.180046 18.0 85.542801 23.0 110.022446 21.0 111.019661 1834.0 111.52697 23.0 112.021149 123.0 113.028381 22.0 113.925179 41.0 118.067955 35.0 125.828178 18.0 142.405869 18.0 1127.849487 24.0 1133.016602 18.0 1175.79541 20.0 END IONS BEGIN IONS SCANS=29 PEPMASS=167.03441 CHARGE=-1 COLLISION_ENERGY=0.0 53.039547 18.0 63.281536 17.0 65.036873 18.0 65.044487 19.0 66.008598 20.0 67.018608 39.0 67.051521 42.0 67.920776 18.0 69.032822 47.0 71.62336 18.0 72.991463 18.0 77.0401 235.0 78.04319 56.0 79.95507 74.0 80.029045 18.0 81.033409 422.0 86.616882 22.0 91.017662 60.0 92.02562 18.0 93.03463 1580.0 93.778236 18.0 94.037964 280.0 95.01355 230.0 95.049049 676.0 95.115067 17.0 96.053696 53.0 105.034569 425.0 106.041451 20.0 107.992851 24.0 108.020889 1816.0 108.046227 29.0 108.263084 20.0 108.488266 22.0 108.644257 18.0 109.029091 1626.0 110.036186 37.0 119.250107 22.0 121.029335 3979.0 121.280029 18.0 122.036606 1498.60498 122.105896 22.0 122.356186 18.0 123.00647 56.0 123.044441 10386.94043 123.244156 30.0 124.016846 168.0 124.048607 1010.0 124.906937 19.0 125.021606 20.0 125.048973 76.0 125.098251 18.0 125.686523 18.0 125.957779 35.0 126.429581 18.0 126.700005 18.0 126.734215 20.0 126.991592 18.0 127.073799 21.0 129.291367 20.0 129.618698 20.0 132.869644 97.0 133.362732 19.0 134.865204 95.0 134.892365 22.0 136.014999 362.0 136.37468 18.0 137.024628 996.660583 138.02803 60.0 139.040192 367.158142 140.043503 48.0 147.274078 18.0 147.882584 21.0 149.024536 1265.0 150.026108 115.0 151.028595 28.0 152.039017 20.0 164.581299 19.0 164.911224 18.0 165.01973 131.0 166.030579 25.0 166.055435 30.0 166.630936 18.0 167.034531 9039.055664 167.064835 20.0 167.335205 18.0 167.836746 18.0 167.886337 22.0 168.03862 773.0 168.986603 18.0 169.016098 18.0 169.038193 92.216141 169.055359 18.0 171.068588 29.0 173.43927 19.0 193.594498 21.0 240.865051 20.0 314.014496 25.0 717.5625 46.0 1181.453735 31.0 1191.687378 18.0 END IONS BEGIN IONS SCANS=30 PEPMASS=216.12344 CHARGE=0 COLLISION_ENERGY=0.0 57.033749 67.0 71.051262 104.0 72.043945 87.0 72.955307 20.0 74.024033 2224.998779 75.026543 20.0 76.029083 35.0 77.294563 18.0 83.049278 49.0 85.035622 25.0 86.060951 22.0 88.038589 26.0 89.02356 111.0 90.026627 20.0 91.05304 22.0 97.06797 27.0 99.042953 18.0 101.022736 18.0 101.062256 17.0 111.017822 23.0 111.081245 17.0 112.071449 18.0 115.022835 17.0 116.929276 81.0 117.015556 24.0 117.930115 26.0 119.027061 30.0 123.081238 23.0 125.097725 42.0 126.091232 27.0 126.93132 83.57933 126.946671 17.420671 127.03891 22.0 128.108429 314.0 128.962494 18.0 133.072983 47.0 135.078308 20.0 142.12355 64.0 143.950974 18.0 145.031937 19.0 146.083557 72.0 147.016479 20.0 151.074921 50.0 152.111801 17.0 153.092239 191.0 154.082458 23.0 154.0961 18.0 154.125305 38.0 154.93956 18.0 155.109268 21.0 155.942413 18.0 156.101822 135.0 157.113083 18.0 170.118851 202.0 170.938232 18.0 171.067169 18.0 171.103867 83.458549 171.122299 52.541447 172.133774 68.0 174.110641 20.0 197.07756 53.0 198.080505 18.0 199.848373 80.0 200.845917 18.0 201.846329 18.0 214.950348 18.0 215.045624 22.000002 215.062759 18.0 215.09433 115.0 216.086945 18.0 216.122589 1471.0 217.102356 55.95826 217.126114 112.04174 219.080734 23.0 220.100342 18.0 220.152939 18.0 END IONS BEGIN IONS SCANS=31 PEPMASS=216.94379 CHARGE=0 COLLISION_ENERGY=0.0 69.913307 19.0 71.01413 392.791077 71.049667 349.0 73.029976 231.0 74.032806 20.0 82.95829 35.0 83.930878 45.0 84.938019 91.0 85.936272 19.0 86.95536 24.0 88.040337 2451.0 88.068024 17.0 88.191948 18.0 89.043045 174.0 89.284935 21.0 97.591003 18.0 98.95385 37.0 99.006485 19.0 99.04361 308.0 99.925964 165.0 100.049362 26.0 100.93367 1274.499878 101.41153 24.0 101.922806 20.266197 101.934303 67.089767 102.934814 116.0 104.825455 20.0 108.077568 19.0 108.939728 42.0 110.954933 640.0 111.012802 32.0 111.95565 169.0 112.26165 18.0 112.315308 20.0 112.955101 97.0 113.518425 25.0 115.221718 20.0 116.040611 24.0 116.070717 257.953644 116.873703 18.0 116.900307 18.0 116.9282 4392.191406 117.018639 154.0 117.756996 19.0 117.929146 703.0 118.930817 195.528091 125.937347 18.0 126.949425 140.0 127.949989 40.0 128.001038 20.0 128.963821 155.932648 129.056274 47.0 129.964279 20.0 131.05658 44.0 135.011124 20.0 136.419678 18.0 137.966171 18.0 141.087891 18.0 142.938995 18.0 143.888489 18.0 143.94902 17.0 146.081451 2487.0 147.085236 223.0 152.948761 22.0 153.088272 18.0 154.944656 998.0 155.943878 192.0 156.950272 84.0 157.049454 21.0 157.819183 18.0 165.131195 24.0 170.936249 55.0 171.939026 19.041668 171.951401 39.723518 171.983795 18.0 172.952957 125.0 175.02681 20.0 175.078171 22.0 178.006668 26.0 191.035446 24.0 193.016953 20.0 198.936417 244.0 199.10144 25.0 199.848724 20.0 199.936615 17.0 205.127594 23.0 216.943558 314.0 217.944031 34.0 218.011856 24.0 218.103607 676.0 218.859421 35.0 218.94313 20.0 219.106049 59.0 220.150528 26.0 270.688538 39.0 292.198425 27.0 END IONS BEGIN IONS SCANS=32 PEPMASS=360.23881 CHARGE=0 COLLISION_ENERGY=0.0 57.034565 22.0 69.030525 18.0 72.048653 21.0 73.093575 18.0 74.023651 1837.0 75.025742 18.0 84.042923 20.0 99.081024 45.0 108.031563 20.0 111.084991 47.0 119.016762 19.0 123.080559 72.0 125.102272 20.0 125.937988 18.0 126.096786 18.0 129.08638 18.0 131.979004 18.0 137.088364 27.0 139.073563 19.0 139.111786 51.0 141.053345 27.0 143.052521 22.0 151.149307 17.0 152.153534 22.0 156.139542 85.0 159.098297 17.0 159.891602 84.0 161.896805 20.0 162.892517 20.0 177.035736 27.0 178.123215 20.0 184.133865 477.0 185.138794 108.0 194.114731 31.0 194.158676 19.0 201.13269 17.0 202.927231 18.0 208.173264 57.250923 214.144699 231.0 215.145874 20.0 218.095123 20.0 224.158035 38.0 227.181442 24.0 242.172928 23.0 243.106812 32.0 262.21521 18.0 265.142151 18.0 268.01889 40.0 269.904663 18.0 271.118469 20.0 278.203735 20.0 280.219849 24.0 290.104767 22.0 291.199188 20.0 296.222595 20.0 315.134796 21.0 316.246368 18.0 324.223694 17.0 336.01825 24.0 342.221649 27.0 343.972839 18.0 344.234436 20.0 358.227875 18.0 359.232452 18.0 360.063843 18.0 360.23938 7053.994141 361.03833 28.0 361.202545 44.378948 361.240753 1103.620972 362.242432 328.0 363.106293 18.0 363.24057 43.0 365.543945 17.0 665.409973 18.0 END IONS BEGIN IONS SCANS=33 PEPMASS=99.00803 CHARGE=0 COLLISION_ENERGY=0.0 83.932732 22.0 84.931152 19.0 99.005531 36.0 100.009712 32.0 100.924828 18.0 100.936172 18.0 101.933472 18.0 209.682343 19.0 325.176483 39.0 480.367523 22.0 730.576294 20.0 732.738159 26.0 742.539917 18.0 1041.680298 17.0 1043.762085 17.0 1045.742554 22.0 1068.706543 18.0 1087.657837 20.0 1171.744629 17.0 1183.810181 17.0 END IONS BEGIN IONS SCANS=34 PEPMASS=117.01877 CHARGE=-1 COLLISION_ENERGY=0.0 55.017033 36.0 56.023682 20.0 72.861794 20.0 73.028679 25461.794922 73.067337 18.0 73.141235 18.0 73.160156 62.0 73.269905 17.0 73.379936 22.0 73.423569 24.0 73.55069 21.0 73.565987 39.0 73.627525 18.0 73.722237 24.0 73.733269 18.0 73.755753 17.0 73.790649 18.0 74.032127 785.0 74.118042 23.0 75.034897 169.0 75.215813 18.0 75.973412 17.0 80.940163 17.0 99.008377 4126.0 99.221382 20.0 99.442444 22.0 99.925583 46.0 100.010925 284.0 100.783363 33.0 100.924728 24.0 101.015251 73.0 115.264595 21.0 115.325241 26.0 115.920288 98.0 116.817665 18.0 116.930771 163.0 116.988327 20.0 117.019035 23044.902344 117.067825 222.0 117.141075 25.0 117.173775 18.0 117.195213 20.0 117.261269 17.0 117.327042 18.0 117.419548 22.0 117.545578 18.0 117.78598 18.0 118.022575 821.0 118.143463 18.0 118.229683 18.0 118.337006 18.0 118.38279 20.0 118.701088 18.0 119.024879 262.0 119.631905 18.0 119.955643 21.0 120.026314 20.0 121.244148 22.0 121.697876 17.0 124.610497 24.0 153.786102 20.0 161.460251 23.0 197.944168 25.0 218.102997 86.0 266.149139 18.0 279.229889 84.0 281.240753 55.0 297.151855 23.0 305.204773 18.0 311.168304 278.0 312.177917 22.0 313.168182 41.0 325.184631 145.0 326.192322 65.0 327.187378 20.0 339.172455 18.0 339.20166 38.0 526.130188 30.0 546.285828 20.0 547.223389 18.0 663.29541 18.0 703.497192 22.0 714.502625 229.0 715.506409 142.0 716.520813 281.0 717.524902 65.0 718.553345 29.0 721.191345 18.0 728.518433 22.0 738.497986 35.0 740.511658 49.0 741.529663 56.0 742.539368 252.0 743.545471 68.0 744.547852 83.0 756.552917 17.0 757.536194 18.0 764.309326 26.0 779.453857 18.0 782.488403 19.0 787.341858 21.0 793.241333 17.0 818.46521 20.0 828.453125 18.0 881.520996 18.0 925.378662 18.0 929.494751 24.0 933.580261 18.0 935.633362 29.0 936.656677 22.0 943.319336 21.0 945.670715 17.0 960.648132 18.0 963.321228 20.0 988.617859 21.0 1028.689331 18.0 1030.707642 20.0 1036.344116 22.0 1045.4552 17.0 1056.717529 41.0 1127.627441 20.0 1141.716309 18.0 1181.670288 23.0 END IONS BEGIN IONS SCANS=35 PEPMASS=73.02859 CHARGE=0 COLLISION_ENERGY=0.0 51.444027 18.0 53.210129 17.0 56.056335 21.0 73.031113 58.0 84.747932 18.0 115.997398 23.0 117.019203 62.0 119.218109 18.0 133.922592 18.0 134.895828 21.0 154.42363 22.0 182.988144 25.0 205.010162 22.0 221.159363 38.0 253.219254 18.0 258.872498 24.0 265.162628 36.0 266.154907 65.0 266.322205 17.0 275.044739 27.0 279.115692 21.0 279.23053 71.0 281.249634 145.0 282.255432 23.0 283.101074 26.0 293.177551 35.0 295.134003 18.0 297.153625 108.0 299.132538 19.0 309.169861 18.0 310.182404 22.0 311.168823 612.216309 312.174896 94.0 313.170288 42.0 325.184479 884.0 326.189331 52.0 327.184448 39.0 339.196259 133.0 340.207306 22.0 353.205719 60.0 372.048676 19.0 417.204681 18.0 427.109039 22.0 438.088287 18.0 439.122284 18.0 457.056885 18.0 457.346069 21.0 460.287445 67.0 478.311371 41.0 497.078766 22.0 498.11908 39.0 513.298889 32.0 525.275452 31.0 533.99823 18.0 537.25885 22.0 551.206177 30.0 554.271973 21.0 583.210693 23.0 602.278748 19.0 607.154419 17.0 610.332703 17.0 614.451965 21.0 620.481262 17.0 630.223083 20.000002 631.196716 18.0 637.377869 19.0 648.27533 18.0 651.437012 18.0 661.20459 17.0 669.30658 23.0 671.065979 23.0 673.369019 20.0 675.351501 18.0 676.357849 31.0 687.383423 56.0 688.503418 29.0 689.502625 68.0 699.279785 18.0 702.530151 124.0 706.354614 24.0 708.758728 31.0 709.554626 17.0 712.308044 18.0 712.474365 19.0 712.992371 19.0 713.506958 19.0 714.510803 260.0 715.338257 18.0 715.509216 82.108055 716.523132 910.606812 717.530823 194.0 718.520935 70.0 718.823181 17.0 724.534485 26.0 728.521851 41.0 730.565491 131.0 731.546326 38.0 732.542053 18.0 740.529785 261.0 741.526489 137.0 742.539062 1481.0 742.709839 36.0 743.545349 649.0 743.878113 18.0 744.55188 199.0 745.361511 19.0 745.55188 20.0 746.294006 18.0 746.577271 40.0 748.283081 20.0 754.339661 20.0 755.241028 28.0 756.619751 62.253807 757.595154 30.0 758.589539 18.0 760.612854 17.0 762.445129 20.0 765.484802 17.0 766.544312 18.0 771.114685 21.0 774.545349 22.0 780.443176 18.0 784.431763 20.0 788.642944 19.0 802.540344 20.0 806.302917 18.0 811.761902 18.0 816.449646 30.0 817.449036 18.0 817.489868 18.0 820.573914 18.0 828.507568 36.0 833.408936 18.0 835.17865 18.0 836.461548 18.0 839.481934 27.0 842.470398 56.0 844.473694 35.0 846.587097 24.0 847.536072 18.0 853.106934 18.0 854.53186 20.0 858.393738 18.0 865.437073 17.0 866.477417 18.0 871.410461 18.0 875.4245 24.0 875.479736 19.0 879.471619 32.0 882.55188 22.0 883.546265 38.0 891.52832 18.0 895.447388 25.0 898.014038 20.0 900.547913 20.0 901.47168 24.0 902.434326 17.0 904.448181 18.0 905.535828 25.0 907.678162 26.0 913.656433 51.0 918.484375 27.0 921.547424 18.0 926.309387 18.0 927.483521 36.0 930.437073 22.0 932.625244 18.0 934.363892 17.0 935.64325 24.0 949.528503 18.0 954.228271 17.0 981.713013 20.0 994.430725 18.0 997.484131 20.0 998.730042 18.0 1001.973022 19.0 1003.090759 21.0 1008.682129 17.0 1010.687805 18.0 1015.649902 38.0 1029.655029 20.0 1035.711304 26.000002 1040.371948 30.0 1040.724731 37.0 1041.697388 25.0 1042.681396 20.0 1043.576416 18.0 1043.656494 18.0 1044.692261 22.0 1050.692993 17.0 1053.711914 18.0 1054.736206 97.0 1056.722168 41.0 1057.732178 38.0 1064.755371 17.0 1066.732666 41.0 1068.718506 36.0 1070.762573 42.0 1071.782959 22.0 1072.830688 18.0 1080.72937 18.0 1082.74939 25.0 1083.379883 18.0 1083.770874 36.0 1089.643555 19.0 1090.717529 18.0 1091.618042 17.0 1094.367554 18.0 1097.481812 18.0 1107.302368 20.0 1110.860718 17.0 1137.395752 32.0 1138.465332 18.0 1140.747192 18.0 1163.875977 20.0 1171.642334 23.0 1192.46521 23.0 END IONS BEGIN IONS SCANS=36 PEPMASS=530.27851 CHARGE=-1 COLLISION_ENERGY=0.0 87.387146 18.0 119.048286 43.0 119.236732 21.0 141.061737 17.0 151.015305 27.0 157.053314 20.0 158.900085 18.0 169.999176 55.0 183.012787 790.008545 184.015808 45.0 184.094925 20.0 185.009003 63.0 188.780869 18.0 198.035965 65.0 200.023666 18.0 201.93782 17.0 211.036896 21.0 211.61351 18.0 212.051926 17.0 240.084213 20.0 247.20517 22.0 254.100403 18.0 267.02774 18.0 282.0867 18.0 306.60675 69.0 310.150238 22.0 310.205475 18.0 310.292267 18.0 311.168488 21368.990234 311.670471 21.0 312.171814 4965.088867 312.345093 18.0 312.752838 17.0 313.168396 1353.0 313.296051 57.761162 314.168304 276.0 317.016144 18.0 320.352814 20.0 324.157776 18.0 326.189575 18.0 350.144348 18.0 381.28125 18.0 410.152008 24.0 447.896332 40.0 494.172882 26.0 529.245728 18.0 529.439575 21.0 530.206665 24.0 530.296997 19.0 531.262024 19.0 532.192139 22.0 741.461609 18.0 END IONS BEGIN IONS SCANS=37 PEPMASS=318.02786 CHARGE=0 COLLISION_ENERGY=0.0 61.987297 20.0 71.051971 73.0 72.0532 27.0 72.995819 20.0 79.956131 84.0 80.960587 18.0 84.9356 38.0 96.956924 39.0 97.943169 18.0 99.92585 106.0 100.933189 378.0 101.931526 61.0 107.954559 18.0 108.961792 20.0 109.946838 20.0 110.942841 18.0 110.969772 28.0 111.954262 57.0 114.054138 57.0 114.954887 32.0 115.057526 18.0 115.915192 17.0 116.074608 25.0 116.928635 2579.452637 117.245155 23.0 117.92981 186.697083 118.927589 70.0 120.555984 20.0 120.996971 159.0 125.925179 18.0 125.960503 95.0 126.949043 94.0 126.969414 20.0 127.943306 42.0 128.952713 21.0 134.073593 18.0 135.952164 18.0 137.926056 22.0 137.938614 41.0 137.968231 43.0 138.935074 20.0 138.953781 17.0 138.965698 20.0 139.94841 21.0 139.978409 50.0 141.953568 22.0 142.930527 18.0 144.034622 54.0 145.084824 18.0 146.085022 26.0 147.079941 22.0 147.982605 18.0 150.006256 22.0 151.945816 18.0 151.980347 37.0 152.948807 18.0 152.978989 18.0 153.004333 18.0 153.955017 73.0 154.980774 61.0 155.951294 148.0 157.117203 22.0 157.934555 24.0 158.937317 18.0 162.0056 25.0 163.976364 48.0 165.958817 65.0 165.998901 77.0 167.973907 18.0 167.998749 25.0 170.941437 109.0 170.964081 44.0 171.980774 18.0 172.081253 20.0 172.100937 74.0 172.955399 34.0 174.080582 19.0 177.951874 17.0 179.980942 21.0 180.948792 20.0 180.965363 25.0 180.993637 17.0 181.947617 78.0 181.99144 23.0 184.35997 18.0 184.984879 35.0 186.433289 27.0 186.973145 18.0 187.963684 115.0 188.969986 25.0 189.962784 30.0 191.994324 46.0 194.021774 21.0 195.023468 19.0 197.946808 22.0 198.935074 69.262367 198.948624 144.412796 199.169968 947.0 199.938461 87.0 200.166794 40.0 200.944687 18.0 201.089172 21.0 205.006332 23.0 205.991013 72.0 208.006866 302.0 208.170319 18.0 209.006714 63.0 209.982986 29.0 210.002335 34.0 210.960327 37.0 211.966553 94.691284 212.009979 188.942932 212.962372 60.0 213.957581 27.0 214.945877 18.0 216.089203 25.0 221.986862 22.0 223.966385 20.0 224.010452 19.0 224.986755 19.0 225.012314 19.0 225.946884 34.0 226.008392 19.0 227.082001 44.0 228.049805 21.0 229.156525 39.0 233.987488 123.0 234.984024 66.0 236.000443 219.0 236.478119 17.0 236.997116 98.0 237.050079 20.0 238.016998 529.0 239.015518 74.0 243.928696 18.0 251.996338 616.0 252.039917 18.0 252.996399 237.0 254.009323 149.450897 254.995514 25.0 256.032654 62.0 268.785461 18.0 273.149536 18.0 277.155945 19.0 279.1185 29.0 281.009094 17.0 282.007385 351.0 283.006653 72.0 284.012848 18.0 286.523987 18.0 291.076141 76.473259 300.020477 21.0 301.030182 24.0 304.955566 19.0 310.898376 18.0 314.54776 20.0 318.027863 1312.0 319.031952 232.0 319.230591 71.0 320.027985 171.0 321.137878 25.356857 321.176361 86.73597 322.00061 18.0 323.193054 18.0 325.178436 18.0 372.91745 26.0 END IONS BEGIN IONS SCANS=38 PEPMASS=437.21358 CHARGE=0 COLLISION_ENERGY=0.0 57.719372 18.0 71.013527 332.0 71.048599 189.0 72.015671 17.0 72.053551 27.0 87.007187 24.0 87.610802 18.0 88.040024 5637.084961 88.307922 22.0 88.504257 18.0 89.041176 176.0 90.045776 43.0 90.408798 24.0 99.041962 75.0 116.035423 20.0 116.069412 23.0 117.930351 18.0 129.051682 19.0 130.582825 18.0 143.964905 19.0 146.081741 4253.0 146.516312 18.0 147.085678 355.0 147.169312 18.0 148.089142 47.0 148.427811 20.0 148.966599 19.0 152.080338 18.0 153.610504 24.0 167.046951 18.0 174.028992 23.0 199.945999 39.0 200.095459 19.0 214.67395 21.0 214.846512 18.0 214.878754 18.0 214.89566 17.0 218.065765 17.0 218.103287 23191.355469 218.13826 31.0 218.172714 70.0 218.4505 17.0 218.486496 20.0 218.884583 22.0 218.994415 18.0 219.017471 23.0 219.106262 2818.218506 219.412445 20.0 219.970245 18.0 219.99614 18.0 220.109604 257.0 220.586655 18.0 221.042343 40.0 221.853851 18.0 223.957016 18.0 225.613602 18.0 242.96698 18.0 274.03006 21.0 300.013672 18.0 325.180237 24.0 331.235718 21.0 347.984344 28.0 355.089539 18.0 368.510376 22.0 374.249542 18.0 375.152618 18.0 380.106506 25.0 383.053894 26.0 391.220581 25.0 437.136078 37.0 437.263855 18.0 437.305847 19.0 438.18454 20.0 439.13446 47.0 439.278992 21.0 439.350891 20.0 441.248444 28.0 465.533325 18.0 1063.951416 38.0 END IONS BEGIN IONS SCANS=39 PEPMASS=218.10311 CHARGE=-1 COLLISION_ENERGY=0.0 59.010963 133.0 60.011223 18.0 71.013367 1649.0 71.04969 4030.0 71.23465 23.0 71.328751 18.0 71.364517 18.0 71.459694 18.0 72.01252 143.0 72.051559 305.0 72.264198 17.0 72.353012 21.0 73.015648 18.0 73.124596 18.0 74.02317 42.0 74.218796 19.0 82.956772 39.0 83.925186 21.0 84.938774 71.0 86.030052 18.0 86.578674 18.0 86.931755 21.0 88.039757 16422.646484 88.061424 17.0 88.127869 20.0 88.364059 18.0 88.399323 29.0 88.587685 17.0 88.864487 18.0 88.902763 21.0 88.930153 18.0 89.042938 658.0 89.094078 20.0 89.260567 18.0 90.042831 119.0 90.088219 17.0 96.436455 20.0 98.029007 62.0 98.060326 276.0 98.661728 18.0 99.011345 47.0 99.044601 2166.856445 99.065849 17.0 99.925957 87.0 100.046768 106.0 100.502594 24.0 100.934044 670.0 100.955414 20.0 101.049042 40.0 101.062157 60.0 101.080452 19.0 101.857956 18.0 101.931717 17.0 102.061981 30.0 102.929108 58.0 109.034454 40.0 110.953636 290.0 111.950935 64.0 112.951775 24.0 114.056656 18.0 115.015984 19.0 115.05648 22.0 116.034409 310.0 116.071602 1303.404785 116.895653 17.0 116.928131 2333.450439 117.016197 22.0 117.0364 18.0 117.071671 19.0 117.626801 18.0 117.928795 281.0 118.927719 133.0 119.910751 44.0 121.026367 19.0 126.947945 114.0 127.94162 20.0 127.9561 19.0 128.065201 51.0 128.559418 18.0 128.967239 148.0 129.05513 424.0 129.96611 18.0 130.058304 42.0 133.04538 18.0 137.027191 29.0 138.017853 18.0 138.449615 18.0 139.394165 30.0 142.089157 18.0 145.798584 18.0 146.081543 19037.910156 146.134781 18.0 146.48233 20.0 146.667099 20.0 147.084595 1411.464233 147.146484 19.0 148.087418 195.0 148.133377 18.0 148.310471 19.0 148.986649 44.0 149.028 25.0 149.097107 19.0 149.537201 25.0 149.673462 17.0 150.810974 20.0 151.024109 40.0 154.943619 536.0 155.943192 66.0 157.601456 20.0 157.624405 21.0 158.030289 28.0 159.088318 27.0 160.120575 18.0 160.547318 18.0 163.030273 20.0 164.813629 30.0 172.955307 18.0 175.078613 28.0 176.080444 18.0 177.021225 20.0 177.131271 17.0 185.417969 20.0 187.079651 18.0 193.01358 22.0 198.932571 115.0 199.935074 38.0 200.088135 48.0 204.744415 24.0 216.944183 191.0 217.94426 79.0 218.102081 7226.407715 218.48761 17.0 218.907486 26.0 219.032227 22.0 219.104721 684.0 219.688629 18.0 219.769791 18.0 219.91745 18.0 220.105804 61.0 220.303955 18.0 221.152542 31.0 222.112625 18.0 225.100647 20.0 269.118744 21.0 297.151337 28.0 312.17157 18.0 316.984253 20.0 325.180176 47.0 340.205902 18.0 373.039948 30.0 457.224274 18.0 689.478577 20.0 700.735291 22.0 714.472778 18.0 715.525085 21.0 741.544495 41.0 791.923889 18.0 935.612 20.0 END IONS BEGIN IONS SCANS=40 PEPMASS=88.03968 CHARGE=0 COLLISION_ENERGY=0.0 88.045219 27.0 89.022919 135.0 297.156464 18.0 714.506165 18.0 715.508423 17.0 716.534912 41.0 935.672607 21.0 1028.69043 24.000002 1033.702271 18.0 1055.738281 26.0 END IONS BEGIN IONS SCANS=41 PEPMASS=742.53879 CHARGE=-1 COLLISION_ENERGY=0.0 58.542057 18.0 78.959946 23.0 90.886002 18.0 96.967384 52.0 122.000977 25.0 140.011765 678.0 141.016144 55.0 152.9944 22.0 178.026489 52.0 196.038223 427.0 197.042511 18.0 198.047821 22.0 214.047897 26.0 228.640808 17.0 240.188034 20.0 253.214554 118.0 255.233734 69.0 277.210907 65.0 278.219666 19.0 279.232697 535.0 280.237183 261.0 281.248047 39281.613281 281.325043 326.0 281.43396 27.0 281.47287 18.0 281.542023 18.0 281.57019 40.0 281.603027 18.0 281.859131 20.0 282.196716 22.0 282.250854 9056.928711 282.360748 38.0 282.395721 23.0 282.4216 19.0 282.731659 20.0 282.976288 21.0 283.070831 18.0 283.214905 17.0 283.255402 1552.289551 283.586456 18.0 283.824341 19.0 284.245209 104.013496 284.270752 51.58992 284.729034 18.0 284.795654 18.0 284.884003 18.0 285.577911 20.0 287.358856 29.0 287.782837 24.0 290.129211 17.0 295.235168 18.0 298.428711 21.0 307.265594 117.0 308.253815 25.0 309.280884 182.0 310.286438 43.0 311.16037 21.0 312.173157 41.0 312.296722 18.0 314.86554 18.0 404.257324 19.0 417.240173 20.0 436.502991 19.0 460.281891 604.237122 461.284515 119.0 462.306427 80.0 477.286499 39.0 478.243988 22.0 478.295593 2004.0 479.293304 531.0 479.384033 20.0 480.307861 35.0 481.32312 35.0 507.343231 22.0 604.278931 25.0 641.398499 18.0 659.40625 30.0 714.515259 19.0 715.52063 20.0 716.52002 38.0 732.585632 17.0 732.666199 20.0 741.378052 22.0 741.530884 568.0 742.538635 20700.699219 743.054871 19.0 743.19165 24.0 743.343262 17.0 743.402405 17.0 743.54248 9761.360352 744.545227 2781.036621 745.396912 18.0 745.551208 518.418213 746.327759 18.0 746.570679 21.0 747.174927 20.0 748.377258 18.0 749.319519 18.0 763.477661 22.0 765.038269 18.0 780.135071 21.0 END IONS BEGIN IONS SCANS=42 PEPMASS=716.52275 CHARGE=-1 COLLISION_ENERGY=0.0 51.644894 24.0 56.440189 18.0 78.959061 86.0 84.775352 23.0 96.966003 110.0 119.319374 20.0 122.000778 90.0 139.955704 24.0 140.010742 1585.441895 141.01265 90.0 152.995026 52.0 162.980606 17.0 178.02681 120.0 184.986176 19.0 196.037949 1015.0 197.040482 77.0 198.043228 25.0 201.951447 18.0 204.398849 18.0 214.053192 192.0 227.203323 54.0 248.827744 17.0 251.455856 37.0 252.412872 18.0 252.628082 19.0 253.135956 18.0 253.217163 3304.292969 253.397812 18.0 253.609512 17.0 254.221069 1753.935791 254.577103 42.0 254.892532 20.0 255.082214 21.0 255.232697 19387.0 255.272049 26.749077 255.308136 54.0 255.578064 18.0 256.042938 17.0 256.065521 19.0 256.235596 4825.0 257.056549 18.0 257.238831 713.143372 257.27832 22.0 257.517731 20.0 257.924927 18.0 258.072296 18.0 258.245239 88.0 258.487854 17.0 258.84433 22.0 259.532135 20.0 259.777374 18.0 260.23703 18.0 260.343536 18.0 262.743561 21.0 275.121185 21.0 277.081299 17.0 277.182098 46.0 277.218689 20.0 278.122803 20.0 279.23288 5825.664551 280.23584 5168.0 280.275482 20.0 280.440277 18.0 281.007568 25.0 281.099915 18.0 281.183868 18.0 281.248627 53521.03125 281.325134 981.624573 281.432007 56.0 281.520599 18.0 281.594208 17.0 281.733459 22.0 281.906921 46.0 282.015625 25.0 282.251526 13458.064453 282.311707 20.621143 282.346313 18.0 282.390656 30.0 282.927948 18.0 283.257446 1736.0 283.313202 18.0 283.525269 18.0 283.603424 18.0 283.733582 22.0 284.175049 22.0 284.241089 28.0 284.265533 120.791878 285.271973 20.0 285.456604 18.0 285.523438 27.0 285.780548 20.0 286.169281 26.0 289.35907 18.0 289.498413 18.0 291.605591 26.0 291.726685 23.0 291.753448 18.0 293.363892 20.0 297.156219 18.0 298.14917 18.0 306.256165 31.000002 311.175079 18.0 325.182922 38.0 328.994385 18.0 330.985352 20.0 332.993073 21.0 339.188843 25.0 341.180328 18.0 363.559021 20.0 364.051971 21.0 378.242004 35.0 391.207581 17.0 391.238678 20.0 392.217834 20.0 398.242157 18.0 404.248566 108.0 432.251709 20.0 433.233368 41.0 434.265076 802.0 435.26828 358.0 436.280792 18.0 436.735229 22.0 442.060455 19.0 446.193756 18.0 446.561401 23.0 450.271088 77.0 451.26532 63.0 452.278717 4234.556641 452.378143 28.0 453.203918 18.0 453.28476 1425.0 454.289734 277.488831 455.275177 50.0 455.71579 20.0 457.227905 18.0 458.26825 55.0 459.26535 41.0 460.279541 431.0 461.281372 113.0 462.298248 52.0 463.29245 23.0 468.270813 25.0 472.360138 19.0 477.285339 141.0 478.290649 357.0 479.288788 61.0 480.309998 71.0 481.325012 21.0 482.319122 22.0 487.290527 17.0 512.292786 22.0 527.682007 18.0 595.754456 21.0 611.435608 20.0 619.198059 18.0 661.451111 17.0 662.4776 22.0 673.490662 35.0 686.475159 154.0 687.472839 41.0 688.48999 1080.0 689.49585 848.0 690.492126 162.0 691.487427 67.0 696.813049 19.0 699.499939 18.0 700.508484 27.0 701.30304 17.0 702.518982 60.0 705.778809 18.0 705.863464 18.0 705.974915 39.0 706.2146 17.0 706.981934 51.0 708.025513 20.0 712.490479 156.0 713.487 85.0 714.50769 1422.0 714.667053 18.0 715.332764 18.0 715.511719 8769.953125 715.669739 18.0 715.925659 18.0 716.304688 18.0 716.398682 62.0 716.523193 36492.617188 716.641174 106.665344 716.763977 22.0 716.835388 23.0 716.915527 42.0 717.403931 18.0 717.526855 16146.467773 717.827332 41.0 717.924255 18.0 718.123535 77.0 718.185669 18.0 718.295654 37.0 718.352112 22.0 718.430847 42.2953 718.531067 4227.0 719.046631 18.0 719.08728 18.0 719.525879 522.0 719.797974 21.0 720.145081 18.0 721.209839 22.0 721.380676 18.0 721.524963 20.0 721.661804 18.0 722.063782 18.0 723.079773 17.0 723.291199 18.0 724.154297 18.0 725.84906 18.0 725.954468 20.0 726.470764 22.0 726.657776 18.0 728.684204 21.0 729.559021 33.0 739.525574 18.0 740.528564 73.0 742.540161 173.0 743.549255 18.0 744.543396 24.0 749.610596 22.0 752.458069 25.0 787.398193 18.0 805.56842 18.0 843.395264 18.0 907.615845 28.0 930.593018 18.0 960.617859 23.0 968.349976 24.0 1002.625061 17.0 1028.677856 20.0 1065.693359 27.0 1136.567993 21.0 1149.727417 18.0 1162.796875 18.0 1178.816895 18.0 1184.082153 18.0 END IONS BEGIN IONS SCANS=43 PEPMASS=89.02356 CHARGE=0 COLLISION_ENERGY=0.0 52.566494 22.0 72.995018 29.0 87.004089 31.0 89.022682 1050.0 89.083328 18.0 90.02459 46.0 91.027306 22.0 557.002136 47.0 648.372498 18.0 688.494751 112.0 689.497559 41.0 690.487122 20.0 691.488098 18.0 716.508484 18.0 717.526062 20.0 814.427368 18.0 929.578674 18.0 1001.689392 18.0 1002.678894 22.0 1031.647461 21.0 1150.621704 23.0 1154.769531 19.0 END IONS BEGIN IONS SCANS=44 PEPMASS=195.06572 CHARGE=0 COLLISION_ENERGY=0.0 65.041145 19.0 67.015419 37.0 68.995255 23.0 79.055519 20.0 82.039604 34.0 83.043114 18.0 84.009338 17.0 87.008873 18.0 91.056824 82.0 93.031883 40.0 93.074112 20.0 98.070694 18.0 99.009468 22.0 103.054504 70.0 104.058975 18.0 105.029182 21.0 105.069397 142.0 106.042877 253.0 107.048767 19.0 108.045937 95.0 109.029442 185.0 110.028908 18.0 111.034912 20.0 111.048141 17.0 115.056679 24.0 119.048058 254.0 120.048965 21.0 121.023071 17.0 121.06591 1412.0 122.072334 73.0 123.042938 66.0 123.068153 20.0 129.01973 18.0 132.057144 83.736176 133.065445 490.0 134.065506 20.0 135.04303 19.0 135.072327 19.0 136.045502 18.0 137.026627 21.0 137.051346 20.0 149.058472 183.0 150.029388 21.0 150.069321 32.0 151.039322 66.0 151.07132 17.0 162.890717 17.0 164.986374 22.0 165.056015 45.0 166.99437 18.0 177.054977 123.0 178.022568 22.0 178.057388 18.0 181.003036 21.0 194.002106 23.0 194.090851 17.0 195.032074 18.0 195.062775 113.0 195.089096 18.0 197.028732 89.0 197.058014 20.0 197.084396 29.0 197.126694 100.0 209.276901 26.0 281.23645 18.0 453.182373 24.0 554.244873 18.0 686.461853 20.0 688.493286 55.0 689.486877 53.0 717.517761 20.0 742.542908 24.0 995.585083 22.0 1012.670288 28.0 1033.56958 23.0 1054.745361 18.0 1062.630249 21.999998 1129.737549 17.0 1142.858887 44.0 1144.715332 18.0 END IONS BEGIN IONS SCANS=45 PEPMASS=360.23882 CHARGE=-1 COLLISION_ENERGY=0.0 52.983543 18.0 57.031784 37.0 71.046005 20.0 72.045517 61.0 72.952141 18.0 73.028946 94.0 74.024147 3483.672607 74.170525 31.0 74.508232 18.0 74.584969 28.0 74.609985 18.0 75.025078 42.0 75.14669 21.0 75.564064 28.0 75.718872 21.0 76.027893 19.0 83.01416 18.0 83.05024 20.0 85.031013 18.0 87.009628 25.0 95.013557 24.0 95.046181 44.0 99.083572 118.0 101.095078 18.0 108.041161 20.0 109.102371 18.0 113.679939 20.0 115.957001 31.0 117.016609 19.0 125.095856 81.0 129.090698 78.0 139.075043 18.0 154.096207 24.0 156.139465 215.0 157.139969 20.0 158.457184 22.0 159.100311 22.0 166.166702 20.0 168.130417 26.0 171.097046 17.0 182.114716 18.0 182.155914 17.0 184.133224 920.0 184.233414 17.0 185.136963 140.0 186.135284 21.0 186.15239 38.0 194.150757 18.0 196.131042 22.0 202.928741 30.0 205.19194 28.0 211.128281 18.0 211.61351 20.0 212.167175 45.0 213.134186 29.0 214.144653 226.0 215.035141 20.0 215.146683 23.0 216.151535 17.0 222.189774 197.0 223.180954 18.0 224.192688 20.0 226.169174 24.0 228.163422 96.0 230.170242 17.0 238.17923 37.0 239.18425 20.0 240.160309 40.0 242.132004 18.0 244.745636 17.0 262.203735 18.0 262.223267 18.0 263.008911 53.0 266.000854 17.0 267.019135 19.0 267.191681 23.0 270.868073 29.0 272.172821 19.0 275.141602 20.0 276.19223 27.0 278.219788 48.0 284.22229 46.0 285.208527 26.0 297.12265 20.0 298.244141 30.000002 300.883545 21.0 303.229675 27.0 309.101929 30.0 314.240967 172.0 315.241089 17.0 316.242462 42.0 324.961365 18.0 327.128815 18.0 341.036224 24.000002 342.231049 136.0 343.227356 19.0 354.943512 18.0 358.222198 18.0 359.090881 19.0 359.127106 20.0 360.038849 17.0 360.109039 22.0 360.16098 18.0 360.238495 13655.369141 360.433105 19.0 360.566925 27.0 360.685822 26.0 361.242096 2757.13623 361.711578 26.0 361.902008 18.0 362.244293 394.0 362.68277 34.0 363.10141 18.0 363.181549 18.0 363.245117 157.0 363.547791 26.0 364.053345 26.0 367.647064 17.0 369.2565 19.0 373.293335 18.0 702.521729 41.0 END IONS BEGIN IONS SCANS=46 PEPMASS=230.10264 CHARGE=0 COLLISION_ENERGY=0.0 58.030708 18.0 59.009579 18.0 70.03038 28.0 71.012375 58.0 72.016106 25.0 72.990982 22.0 74.026176 20.0 82.034821 18.0 88.039543 1237.0 89.045044 66.0 90.046219 20.0 90.269455 18.0 96.078934 17.0 96.994942 91.0 97.947731 35.0 97.99472 18.0 98.0383 18.0 98.951385 59.0 99.926018 18.0 112.985535 23.0 113.099609 18.0 113.941124 80.0 114.019203 99.0 114.091728 1785.602661 114.136604 23.0 114.785721 26.0 114.946945 17.0 115.002533 588.0 115.022728 31.0 115.076942 440.0 115.093643 94.937523 116.019028 21.0 116.078209 63.854408 117.019432 56.0 124.957771 19.0 128.922577 18.0 129.941254 19.0 132.030701 56.0 134.035034 17.0 139.039703 53.0 139.955963 17.0 140.106674 75.0 141.016296 22.0 141.091064 17.0 141.928558 22.0 141.959991 18.0 142.124161 23.0 142.945084 163.0 143.126114 19.0 143.953354 19.0 146.022141 19.0 146.04425 18.0 146.066055 18.0 149.061905 17.0 151.041107 49.0 155.9879 19.0 156.890137 22.0 156.940674 18.0 157.932938 37.0 157.952133 20.0 158.050201 35.0 158.977203 18.0 161.894104 80.100777 168.103226 60.0 171.951416 20.0 172.039276 18.0 182.993469 18.0 183.17659 22.0 184.952499 18.0 185.116364 22.0 186.113235 292.0 186.937408 56.000004 187.981796 22.0 211.004333 20.0 212.0858 18.0 213.095734 38.0 229.046204 18.0 230.03894 18.0 230.102432 467.935425 231.020935 19.0 231.111359 52.0 233.015457 17.0 233.151169 18.0 234.045532 18.0 END IONS BEGIN IONS SCANS=47 PEPMASS=702.50764 CHARGE=-1 COLLISION_ENERGY=0.0 108.689796 18.0 121.996468 35.0 230.892227 17.0 239.200638 45.0 240.206528 17.0 241.216888 435.0 242.224533 35.0 253.218613 1142.0 254.219879 210.657791 255.232758 480.0 255.942184 18.0 256.234558 38.0 263.3125 20.0 267.196533 17.0 267.233673 1346.0 268.234741 253.0 269.248901 331.0 269.576111 18.0 279.232178 113.0 280.237885 143.0 281.249695 806.0 282.254211 249.0 283.257629 46.0 286.135254 18.0 326.189911 20.0 340.208282 18.0 371.199799 17.0 420.258209 18.0 438.268372 93.0 446.265656 31.0 448.289246 51.0 452.289307 76.0 466.288116 168.0 467.314484 18.0 475.163269 18.0 476.103088 19.0 529.299011 21.0 688.488464 20.0 700.503723 18.0 701.50061 439.0 702.113281 19.0 702.505981 1695.0 702.810852 27.0 703.513184 826.017944 704.523682 174.0 705.408508 23.0 714.504395 18.0 END IONS BEGIN IONS SCANS=48 PEPMASS=246.99121 CHARGE=0 COLLISION_ENERGY=0.0 56.766346 18.0 65.53788 18.0 70.957191 20.0 91.672653 18.0 97.071396 27.0 100.670326 25.0 101.927361 29.0 107.012741 31.0 108.021156 1956.0 109.025475 54.0 110.027443 30.0 110.973648 125.0 111.012688 24.0 112.653236 18.0 112.966309 21.0 114.953934 51.0 115.040779 22.0 127.040291 23.0 135.013626 21.0 137.027527 21.0 137.057373 30.0 148.024216 18.0 152.012665 865.507019 153.01297 25.0 154.018158 19.0 155.949203 20.0 157.951447 108.0 158.940125 20.0 166.168167 17.0 166.36145 22.0 167.034561 10541.720703 167.457764 20.0 168.03862 1096.0 168.955978 30.0 169.039902 78.0 169.548126 17.0 170.040771 38.0 175.086594 26.0 175.778488 19.0 176.015823 21.0 176.245529 19.0 178.932709 18.0 180.907349 43.0 203.083878 30.0 205.12291 21.0 205.155762 36.0 232.073135 24.0 233.952759 28.0 246.992065 867.0 247.104401 20.0 247.995804 70.0 248.046814 34.0 248.982574 46.0 249.147324 25.0 249.996918 20.0 250.144501 37.0 250.162338 20.153301 305.083282 25.0 325.181396 49.0 338.971588 25.0 452.297302 20.0 660.447449 22.0 686.462402 39.0 687.489624 54.0 688.500977 177.0 689.508667 54.000004 691.500854 18.0 702.06842 18.0 714.512207 18.0 716.52771 80.0 717.549744 39.0 1005.24646 18.0 1012.65741 19.0 END IONS BEGIN IONS SCANS=49 PEPMASS=243.13437 CHARGE=0 COLLISION_ENERGY=0.0 71.013786 18.0 73.015175 60.0 74.024384 73.0 81.02964 18.0 81.939171 20.0 83.014954 24.0 83.063194 61.0 83.928238 114.0 83.968773 43.0 84.043915 70.0 84.227783 18.0 85.043686 20.0 87.009659 90.0 88.039284 20.0 89.023552 18.0 96.079346 63.0 97.063133 82.0 97.929314 58.0 98.072922 28.0 98.496407 21.0 99.924797 1580.0 99.963768 18.0 100.043976 18.0 100.925163 208.0 101.071907 105.0 101.590126 25.0 101.925758 25.0 102.051544 22.0 102.073647 35.0 108.061455 22.0 108.079735 20.0 109.040291 397.0 109.943283 20.0 110.03363 23.0 110.047989 22.0 111.046822 18.0 111.962654 44.0 112.955421 17.0 113.095985 65.0 114.092476 1691.0 114.458344 20.0 114.653114 17.0 115.00399 20.0 115.09687 66.0 125.036636 24.0 125.562401 18.0 125.960968 38.0 127.050125 1520.0 127.957924 671.0 128.035172 316.0 128.053329 61.0 128.110489 25.0 128.521347 17.0 128.822632 20.0 128.952606 19.0 129.935791 18.0 131.590179 29.0 135.056763 26.0 135.945297 17.0 137.941605 193.0 138.092407 35.0 138.951599 18.0 140.106354 78.0 142.106873 18.0 143.076019 60.0 145.060974 1510.0 145.106247 18.0 145.162033 18.0 146.061569 101.0 147.01088 19.0 148.993362 17.0 153.935287 66.0 153.956924 79.0 154.018143 18.0 154.088333 18.0 154.121246 38.0 154.977341 38.0 155.015686 20.0 155.135681 17.0 155.951263 4275.0 156.916046 19.0 156.949814 384.447113 157.949692 72.931091 164.112015 22.0 167.034988 106.0 168.066696 21.0 169.013092 40.0 173.109818 22.0 173.963699 17.0 174.964767 27.0 175.997604 18.0 178.429062 24.0 179.980057 30.0 181.088562 17.0 181.134811 1756.580811 182.138977 140.0 183.102676 28.0 183.122177 17.0 183.144241 18.0 184.095078 17.0 198.133652 21.0 199.063583 18.0 199.087128 18.0 199.144104 209.0 199.976395 18.0 200.144928 26.0 214.10434 57.000004 225.064606 22.0 225.127106 259.0 226.126389 36.0 227.063141 64.0 227.090546 18.0 242.077911 48.0 242.120804 35.0 242.182281 18.0 243.136475 1197.0 243.458588 17.0 243.967682 83.088638 244.054642 20.0 244.092484 18.0 244.137878 180.0 244.963089 18.0 245.07843 43.0 245.105759 25.0 245.136917 17.0 245.969955 17.0 246.075089 20.0 247.020081 39.0 247.09494 20.0 247.165543 18.0 END IONS BEGIN IONS SCANS=50 PEPMASS=688.492 CHARGE=-1 COLLISION_ENERGY=0.0 78.959587 51.0 106.966682 26.0 140.012955 167.0 152.995026 17.0 178.027405 17.0 196.037598 229.0 197.038193 24.0 227.199951 181.0 228.204117 48.0 253.216095 7055.0 254.123199 18.0 254.221512 1320.0 254.79689 18.0 255.233047 2315.242188 256.235199 383.0 261.502167 18.0 267.243408 29.0 279.138947 20.0 279.242218 19.0 281.248383 576.0 282.25235 63.0 311.170837 18.0 396.194855 20.0 424.252625 20.0 432.250244 147.0 433.231812 26.0 434.264984 53.999996 435.26236 20.0 450.262787 19.0 452.279663 370.0 453.277588 109.999992 454.280884 19.0 473.276337 35.0 687.488892 75.0 688.493469 4007.0 688.582092 35.0 689.499084 1712.0 690.29187 20.0 690.350952 35.0 690.499512 365.0 691.485901 71.0 859.087463 20.0 END IONS BEGIN IONS SCANS=51 PEPMASS=660.46054 CHARGE=-1 COLLISION_ENERGY=0.0 96.968285 92.0 121.999138 18.0 140.011047 293.0 140.708649 20.0 152.992889 38.0 162.410324 23.0 170.761154 17.0 178.03212 25.0 196.040039 201.0 197.046234 29.0 199.474136 19.0 214.04335 18.0 215.054031 20.0 225.185944 1478.0 226.189117 358.0 227.201035 3410.0 228.203293 470.198578 231.84082 30.0 233.462341 17.0 252.073044 18.0 253.216309 11112.742188 253.290329 23.0 254.221252 2166.037354 254.398056 24.0 254.768723 18.0 255.232315 636.0 255.926224 18.0 256.236176 106.0 276.592224 18.0 281.249969 60.0 282.247345 35.0 310.165558 20.0 406.236298 144.0 414.107758 21.0 422.225891 44.0 424.247864 497.0 425.254425 35.0 426.286224 38.0 430.938751 19.0 432.249603 51.0 434.270477 94.0 435.268707 19.0 451.255554 43.0 452.284912 85.0 453.278381 48.0 454.300598 22.0 573.029297 17.0 623.279114 20.0 657.506836 20.0 659.432861 17.0 660.459717 7258.0 660.58252 34.775475 660.627563 18.377226 660.697449 18.0 660.84967 18.0 661.462769 2917.610352 661.832458 17.0 662.467163 571.0 663.476196 96.0 663.562012 25.0 664.481934 18.0 666.236145 30.0 667.562866 18.0 671.315491 21.999998 686.699524 22.0 714.50177 18.0 956.881287 18.0 1054.252075 19.0 END IONS BEGIN IONS SCANS=52 PEPMASS=201.07598 CHARGE=-1 COLLISION_ENERGY=0.0 57.033249 17.0 58.497662 18.0 59.011959 46.0 65.000237 20.0 68.27153 28.0 69.035088 107.0 71.017929 24.0 74.021194 18.0 83.050392 34.0 84.927132 18.0 85.030281 66.0 87.045761 118.0 89.024673 42.0 95.013649 24.0 95.050011 439.0 96.219208 18.0 97.029999 17.0 97.065193 189.0 98.03524 23.0 99.92955 39.0 101.924316 17.0 109.064758 697.0 109.956406 38.0 110.064171 24.0 111.080841 5526.0 112.082954 303.728363 112.797897 19.0 113.02282 40.0 113.056908 24.0 113.096184 1224.685181 114.055573 18.0 114.091942 64.0 115.039558 186.0 116.04248 20.0 116.792656 34.0 116.925461 44.0 121.066429 62.0 122.071831 18.0 123.042336 157.0 124.051224 48.0 127.952042 19.0 135.008575 18.0 135.195053 18.0 139.001862 22.0 139.036911 17.0 139.075119 1949.0 139.861557 20.0 140.078323 86.0 141.053604 96.0 141.082825 46.0 142.036514 18.0 144.055237 18.0 144.907135 26.0 154.811005 28.0 154.931717 18.0 155.071213 1107.0 156.078018 101.0 156.959259 20.0 157.086197 16232.415039 157.123871 17.0 157.93573 18.0 158.089676 1565.0 158.834 18.0 158.90918 20.0 159.036118 17.0 159.080704 29.945395 159.095413 64.054604 161.096222 20.0 162.076187 18.0 163.030869 18.0 182.987381 18.0 183.06517 1462.215454 183.514847 18.0 184.069092 202.0 185.07579 27.0 187.989273 19.0 198.163147 17.0 198.54982 33.0 200.945923 18.0 200.970688 18.0 201.006271 22.0 201.07608 9500.882812 201.142838 20.0 201.522339 18.0 202.017578 17.0 202.079346 1241.0 203.0793 227.0 204.064102 17.0 204.086975 20.0 218.045151 24.0 297.065704 25.0 326.198456 17.0 327.10968 21.0 356.621063 22.0 361.130554 24.0 662.474854 26.0 862.326721 20.0 950.799316 23.0 979.051086 26.0 994.532837 21.0 1174.396484 18.0 END IONS BEGIN IONS SCANS=53 PEPMASS=222.0763 CHARGE=-1 COLLISION_ENERGY=0.0 58.029263 26.0 71.009308 20.0 74.023903 4424.331543 74.615448 18.0 74.938011 18.0 75.028488 118.0 75.129486 18.0 76.023895 20.0 78.964294 23.0 89.024185 83.0 89.737679 35.0 91.054855 742.0 92.056686 131.0 93.035484 23.0 94.980186 38.0 99.027206 19.0 102.022484 20.0 104.034348 14482.0 104.099205 21.0 104.330147 17.0 104.352463 19.0 104.656052 18.0 105.037888 684.562927 105.272217 45.0 106.040321 101.0 106.05896 18.0 106.262444 19.0 107.050125 18.0 107.953453 17.0 117.033981 523.118652 118.034363 71.0 118.65863 22.0 120.01889 19.0 125.021423 23.0 131.904953 18.0 134.91124 18.0 135.008575 36.0 135.04541 22.0 135.083191 21.0 136.058945 22.0 143.03157 18.0 146.056885 78.0 147.042969 18.0 147.994446 23.0 148.076782 276.0 148.892105 18.0 148.991165 101.061119 149.079224 34.0 150.993774 54.0 151.043274 18.0 153.046829 20.0 157.1185 18.0 159.873917 18.0 160.077942 183.0 160.617508 18.0 161.081314 67.0 163.008026 38.0 163.042923 19.0 164.031357 24.056841 164.04686 21.943159 174.054749 375.0 175.056854 27.0 177.02356 40.0 179.033691 23.0 180.115387 39.0 181.009079 27.0 181.040909 49.0 184.03656 19.0 192.069077 241.0 193.017166 21.0 193.067001 78.0 196.533707 18.0 204.058258 26.0 221.012024 128.0 221.156906 73.0 222.076675 716.0 223.00444 35.0 223.02504 18.0 223.06044 40.892879 223.0784 40.0 223.135406 18.0 224.083649 22.0 225.079834 20.0 707.133179 22.0 END IONS BEGIN IONS SCANS=54 PEPMASS=153.01863 CHARGE=0 COLLISION_ENERGY=0.0 75.217575 18.0 79.440598 22.0 81.034256 63.0 82.0075 17.0 88.047356 17.0 89.02346 46.0 89.338112 18.0 91.018219 62.0 107.014862 23.0 107.4161 17.0 108.022217 858.0 108.046738 27.0 109.029091 4567.0 109.647926 38.0 110.031021 287.0 110.121696 23.0 111.035133 56.0 111.930107 20.0 147.594498 23.0 150.767502 20.0 152.029007 23.0 153.01741 934.385742 153.092575 26.0 153.871033 19.0 154.020477 130.0 154.249557 19.0 154.399124 17.0 154.993958 40.0 155.01712 26.0 155.038498 17.0 157.020828 39.0 160.659943 21.0 174.722107 18.0 212.684189 18.0 236.719681 18.0 246.074677 18.0 264.075775 18.0 339.195923 20.0 396.136139 18.0 443.342987 18.0 616.276428 24.0 634.429565 18.0 659.452881 18.0 905.299072 28.999998 935.371521 18.0 951.611084 18.0 966.275513 22.0 1005.698364 17.0 1054.4104 18.0 1076.580811 17.0 1122.442871 21.0 1161.581299 17.0 END IONS BEGIN IONS SCANS=55 PEPMASS=403.12419 CHARGE=-1 COLLISION_ENERGY=0.0 55.422283 18.0 59.012794 29.0 61.989952 18.0 72.992645 64.0 75.974663 18.0 80.96833 22.0 83.777016 21.0 87.01059 44.0 87.724518 17.0 87.736053 20.0 88.008331 20.0 88.658508 18.0 88.986496 37.0 89.023628 22029.0 89.187798 17.0 89.510551 21.0 89.719231 24.0 89.754433 20.0 89.815987 24.0 89.82914 18.0 89.900719 21.0 90.026627 924.0 90.197327 18.0 90.640053 17.0 90.70665 24.0 90.866447 18.0 91.030258 109.0 91.044807 20.0 91.095901 19.0 91.146767 17.0 91.480003 17.0 96.960556 21.0 100.932266 18.0 113.055893 21.0 115.077354 18.0 121.013245 18.0 125.056541 17.0 130.050201 40.0 151.041534 71.0 157.050049 21.0 158.978394 17.0 160.027496 20.0 174.073883 35.0 177.128647 18.0 193.608002 18.0 214.052948 22.0 235.052841 18.0 237.041 21.0 239.934296 27.0 243.085648 45.0 271.170593 30.0 281.123627 18.0 282.044586 22.0 289.660583 22.0 299.14447 20.0 299.988068 18.0 316.182495 18.0 363.148499 18.0 387.088104 17.0 402.151733 20.0 402.214569 17.0 403.126129 821.0 403.18454 18.0 403.260773 41.0 404.127289 171.0 404.247467 20.0 404.289825 24.0 405.111206 18.0 405.268127 41.0 406.083344 20.0 406.149048 20.0 570.662354 20.0 688.487732 54.0 689.489441 35.0 690.494446 18.0 714.503235 35.0 717.50946 18.0 771.52948 18.0 1003.599976 18.0 1056.629761 18.0 1080.743408 20.0 1121.662354 18.0 1158.801514 28.0 END IONS BEGIN IONS SCANS=56 PEPMASS=151.03955 CHARGE=0 COLLISION_ENERGY=0.0 78.963074 31.0 79.957932 26.0 81.034988 22.0 89.027275 61.0 91.01889 55.0 92.026703 456.0 93.028656 36.0 107.010384 79.0 108.022209 219.0 109.029312 1784.616821 109.119728 18.0 110.031197 71.0 111.591553 22.0 121.032341 60.0 136.016602 380.0 136.937897 20.0 137.016129 18.0 150.917816 20.0 150.976028 23.0 151.001205 18.0 151.041534 394.0 151.074707 18.0 152.041962 23.0 152.904968 24.0 153.020233 193.0 155.317352 20.0 END IONS BEGIN IONS SCANS=57 PEPMASS=349.06928 CHARGE=-1 COLLISION_ENERGY=0.0 59.014599 100.321388 59.470383 17.0 71.01329 20.0 89.024605 93.0 96.962936 80.0 101.025414 130.0 102.024521 19.0 113.024498 24.0 125.090904 21.0 125.941017 18.0 135.082092 20.0 136.018661 33.0 143.894196 19.0 144.990479 19.0 151.04007 1061.0 152.038193 21.0 153.064606 20.0 159.049408 39.0 162.882828 18.0 169.955154 21.0 180.025101 19.0 183.016647 25.0 184.03038 18.0 185.116913 23.0 193.052383 28.0 202.049728 40.0 211.024994 24.0 213.993652 19.0 217.104462 28.0 218.133362 21.0 220.953979 18.0 229.970261 18.0 251.134277 18.0 253.218002 18.0 261.153595 27.0 265.151947 22.0 269.153992 20.0 271.226532 18.0 275.085693 17.0 296.143951 17.0 305.211334 32.0 324.211884 20.0 332.020844 43.0 349.059326 20.0 349.173859 35.0 349.234283 42.0 350.193481 22.0 351.067627 47.0 351.184448 18.0 351.209869 20.0 351.514709 18.0 352.158112 18.0 353.191498 30.0 353.220673 20.0 END IONS BEGIN IONS SCANS=58 PEPMASS=359.09751 CHARGE=-1 COLLISION_ENERGY=0.0 72.009262 21.0 75.010948 25.0 92.027061 306.0 93.028358 153.114517 94.470169 20.0 95.011658 23.0 98.074059 18.0 99.925873 17.0 103.130844 22.0 109.027863 17.0 114.949768 52.0 119.50695 22.0 122.031746 32.0 124.039253 23.0 126.082764 26.0 131.043823 17.0 134.030716 17.0 135.823929 22.0 136.015411 1067.0 137.022034 44.0 137.096542 17.0 147.224487 18.0 150.817505 18.0 150.989731 25.0 151.039322 20510.597656 151.090714 18.0 151.136261 17.0 151.700516 22.0 151.714752 18.0 152.043854 2100.060791 152.128983 17.0 152.406052 18.0 152.793091 18.0 153.018341 18.0 153.048279 182.0 155.561111 17.0 156.923126 18.0 157.121826 20.0 157.931335 21.0 161.042145 20.0 162.044373 18.0 169.048782 21.0 182.004898 18.0 189.047653 35.0 196.861572 20.0 200.734879 20.0 202.928955 62.0 205.598221 18.0 207.04805 63.0 207.983994 18.0 221.154007 17.0 224.084015 18.0 232.024475 24.0 239.075058 23.0 240.108002 62.0 243.184448 19.0 247.116699 18.0 257.859283 48.0 268.936951 17.0 272.840485 18.0 287.057495 18.0 298.143555 18.0 313.089478 146.0 314.098175 17.0 317.077942 18.0 322.08786 18.0 343.876404 32.0 344.86499 17.0 350.917236 21.0 358.156006 18.0 358.690735 18.0 359.001068 22.0 359.097107 1616.0 359.181519 38.0 359.223328 41.348797 359.341583 22.0 360.09549 221.0 360.184998 20.0 360.225891 22.0 360.392975 39.0 361.101685 54.0 363.113495 41.0 688.488586 97.0 690.51825 26.0 715.509827 18.0 716.521545 67.0 718.511902 25.0 799.240234 23.0 953.525696 22.0 1058.055908 17.0 END IONS BEGIN IONS SCANS=59 PEPMASS=89.02367 CHARGE=0 COLLISION_ENERGY=0.0 89.024284 340.0 90.025574 18.0 119.254684 17.0 166.058823 19.0 229.452927 18.0 641.29657 20.0 689.468933 17.0 690.509033 18.0 901.540894 17.0 1001.684387 18.0 1003.616211 18.0 1114.620117 20.0 1115.664917 18.0 1195.510986 20.0 END IONS BEGIN IONS SCANS=60 PEPMASS=260.14952 CHARGE=0 COLLISION_ENERGY=0.0 59.014069 20.0 68.605301 35.0 71.013786 18.0 72.042389 59.0 72.955971 35.0 74.024414 1372.012207 74.787109 17.0 75.024109 18.0 75.031807 33.668919 93.032967 18.0 96.958488 20.0 100.931671 21.0 101.028961 26.0 105.017136 18.0 109.020401 17.0 110.03363 17.0 113.067436 43.0 115.013901 20.0 118.052132 74.0 128.03479 18.0 128.109222 58.0 130.086929 38.0 130.89505 17.0 133.922745 18.0 139.043213 18.0 139.075119 55.0 141.092834 18.0 142.126984 76.0 144.887955 17.0 144.900696 17.0 145.082428 19.0 145.894287 21.0 145.936981 27.0 146.8992 73.943726 154.120163 96.0 156.103333 18.0 158.88858 18.0 159.042923 18.0 159.095932 18.0 159.892563 77.0 160.892593 82.0 161.890564 39.0 162.891479 85.0 167.871979 18.0 168.960449 26.0 169.124969 18.0 169.947678 21.0 170.116974 285.0 170.936539 23.0 172.133698 61.0 172.923111 22.0 174.925446 37.0 175.047699 19.0 177.058426 24.0 182.114822 18.0 183.908768 25.0 185.020218 22.0 186.048828 17.0 196.060822 24.0 197.037247 24.0 197.073425 43.0 198.111877 226.0 198.141251 101.563385 199.041367 18.0 199.15773 18.0 199.877533 19.0 202.977325 26.0 203.0345 21.0 203.832794 22.0 214.071533 24.0 215.970535 19.0 216.063828 20.0 216.123108 1984.642456 216.167984 20.0 216.334259 21.0 216.981827 18.0 217.088531 19.0 217.12738 183.0 218.125717 39.0 219.026047 20.0 222.17131 21.0 223.837616 21.0 226.728043 21.0 227.193588 18.0 229.119736 21.0 230.117401 20.0 230.140457 41.0 231.911575 20.0 232.909485 18.0 248.920639 19.0 257.077728 26.0 259.073669 18.0 259.117126 18.0 260.087067 23.0 260.148743 763.0 261.000732 32.0 261.149536 106.0 261.18573 22.0 262.100281 19.0 262.22525 17.0 263.021301 20.0 263.126465 17.0 267.812073 26.0 275.168152 21.0 279.244934 22.0 283.10202 23.0 297.157043 59.0 310.220032 44.0 311.166382 21.0 313.17276 18.0 319.122437 18.0 359.111328 24.0 360.540466 30.0 378.944885 17.0 379.074188 19.0 419.65564 17.0 511.950775 19.0 632.38678 21.0 665.268127 19.0 686.287903 17.0 686.473877 19.0 688.484924 115.0 689.480408 18.0 715.520325 26.0 717.503845 17.0 742.547363 20.0 783.441772 26.0 799.434021 18.0 826.497192 33.0 851.587769 24.0 879.320435 23.0 950.662842 18.0 986.524841 20.0 1014.692749 20.0 1112.670776 21.0 1133.428711 18.0 1164.704468 19.999998 END IONS BEGIN IONS SCANS=61 PEPMASS=208.06051 CHARGE=0 COLLISION_ENERGY=0.0 57.018703 22.0 57.947598 18.0 63.93232 23.0 68.014923 18.0 70.024094 21.0 77.038643 201.0 79.956528 42.0 81.428108 24.0 87.00563 18.0 88.991524 19.0 89.022728 18.0 94.027946 18.0 95.049873 17.0 99.002831 19.0 100.075729 20.0 106.034599 27.0 107.037186 25.0 107.050049 35.0 109.028015 20.224209 109.039635 41.775791 111.022781 34.0 114.017891 18.0 114.985733 19.0 115.018997 17.0 115.258804 18.0 116.051605 46.0 116.998039 17.0 119.048119 481.0 119.315697 20.0 120.046959 112.0 121.035149 87.0 121.055893 20.0 124.017647 18.0 127.052544 37.0 131.040771 27.0 132.048843 36.0 133.044983 18.0 134.060059 676.0 135.04541 22.0 135.060272 39.0 136.990402 30.0 140.103958 20.0 142.993729 18.0 144.04303 20.0 145.051758 45.0 146.060059 1320.624023 147.064819 122.0 148.062042 21.0 149.074341 23.0 149.883377 20.0 155.94635 24.0 160.039093 325.0 161.043686 105.0 162.056381 142.0 163.043396 25.0 164.033401 26.0 164.066498 45.0 165.014404 42.0 165.083801 18.0 166.013046 18.0 166.891983 19.0 167.080948 166.0 177.053604 22.0 177.089935 18.0 178.050674 986.806519 179.049026 103.0 181.046143 18.0 182.046631 17.0 183.067383 18.0 191.03273 23.0 192.014648 22.0 206.874878 19.0 207.008911 22.0 207.027328 40.939083 208.026566 58.0 208.063004 697.126404 209.009796 18.0 209.037827 20.0 209.057205 60.736137 209.077728 30.44853 209.118591 24.0 209.924255 17.0 211.069153 84.0 212.017868 22.0 221.081299 21.0 229.118576 39.0 239.026535 18.0 249.140915 18.0 271.09201 20.0 296.593506 24.0 316.104706 26.0 341.016693 22.0 381.165192 18.0 390.270782 18.0 453.216339 28.0 459.206726 18.0 562.15033 24.0 565.222412 18.0 577.296448 18.0 618.15686 20.0 657.231384 18.0 714.502502 18.0 721.351257 18.0 741.320496 17.0 742.516357 18.0 742.624451 25.0 743.156372 18.0 745.523804 32.0 764.51001 18.0 777.386169 20.0 786.408875 22.0 795.297729 20.0 804.27417 17.0 812.249084 18.0 923.400635 19.0 951.327026 17.0 1014.105652 19.0 1035.300659 22.0 1046.638306 17.0 1070.360962 20.0 1082.624268 18.0 1096.688599 18.0 1102.609985 18.0 1136.277832 17.0 1142.445435 19.0 1187.65332 18.0 1188.482666 20.0 1192.08252 25.0 END IONS BEGIN IONS SCANS=62 PEPMASS=229.11842 CHARGE=-1 COLLISION_ENERGY=0.0 58.032063 29.0 59.637451 22.0 63.276302 19.0 66.031197 41.0 67.012726 18.0 67.038589 18.0 71.015114 21.0 71.370605 22.0 72.043915 115.0 72.999672 18.0 74.024712 103.0 74.328476 29.0 75.015602 35.0 75.745247 20.0 81.993347 18.0 82.027649 78.0 82.061699 37.0 83.032692 18.0 83.062386 76.0 83.96627 18.0 84.042358 68.0 84.701965 29.0 85.029587 18.0 85.048134 34.0 86.023697 20.0 95.049179 19.0 96.006279 23.0 96.938652 78.0 97.945221 133.0 98.95121 18.0 99.0858 50.0 99.267365 18.0 100.07589 7281.998535 100.12854 18.0 101.059128 251.353989 101.076668 720.645996 101.592705 34.0 102.057259 22.0 102.077393 19.0 102.74881 24.0 103.714516 18.0 109.039986 702.772522 110.024055 38.0 110.042549 20.0 111.030365 43.0 111.930695 20.0 112.016472 22.0 112.079048 18.0 112.983376 38.0 113.097046 56.0 113.940445 120.0 113.967476 19.0 114.090508 148.0 115.023232 45.0 116.032784 17.0 117.017647 25.0 120.018219 21.0 125.176979 52.0 125.809761 34.0 126.091354 128.0 127.050537 5164.0 127.40229 17.0 127.887062 20.0 127.957207 41.0 128.035233 827.075562 128.05571 175.924438 128.611069 18.0 129.056366 18.0 129.930374 39.0 130.93988 29.0 133.696945 17.0 137.943069 17.0 139.957718 113.0 140.072205 71.0 140.108002 261.0 140.965424 39.0 141.933563 76.0 142.122849 20.0 142.943542 126.0 143.048233 18.0 143.957031 99.0 144.961197 45.0 145.061203 972.413391 146.066635 125.0 147.064621 37.0 149.115082 20.0 151.03688 39.0 155.912155 21.0 155.953094 265.0 156.895645 85.0 156.952011 60.0 157.029266 22.0 157.049026 23.0 157.212616 19.0 157.930206 82.0 157.978455 20.0 158.08223 40.0 158.89418 19.0 158.970551 53.0 159.085007 37.0 160.045151 35.0 160.896255 18.0 165.105362 18.0 165.701599 24.0 166.09935 20.0 166.719025 19.0 166.909485 20.0 167.03244 27.0 167.075317 18.0 167.118668 7948.601562 167.189346 18.0 167.214249 19.0 167.480682 20.0 168.121674 988.885559 169.097366 18.0 169.131912 78.0 171.334305 18.0 171.522491 18.0 173.080246 20.0 182.293518 20.0 183.054932 17.0 183.647552 18.0 183.949463 18.0 184.91925 36.0 184.955826 44.0 185.131317 647.849609 185.963058 55.0 186.074158 18.0 186.111526 20.0 186.138229 44.0 187.939102 70.311554 188.068909 20.0 197.591736 26.0 198.273834 18.0 210.989365 20.0 211.108734 2852.0 212.086166 93.767075 212.10994 414.232941 213.004272 20.0 213.075272 18.0 213.113876 61.0 228.052231 18.0 229.119263 4666.0 229.218475 18.0 230.030716 24.0 230.123001 439.0 230.960052 59.0 230.999786 39.0 231.03093 43.0 231.082275 18.0 231.123199 57.0 231.91243 20.0 231.952606 22.0 232.049454 26.0 233.042068 41.0 234.201645 18.0 249.717667 18.0 333.72702 18.0 360.956604 29.0 408.063324 23.0 733.418823 18.0 1019.576477 20.0 END IONS BEGIN IONS SCANS=63 PEPMASS=285.06086 CHARGE=0 COLLISION_ENERGY=0.0 50.023693 19.0 59.012501 347.0 60.016167 18.0 60.368473 18.0 69.033836 24.0 70.031921 20.0 71.046494 20.0 72.997681 25.0 74.021767 41.0 75.027031 26.0 81.030952 61.0 82.613258 18.0 87.988342 39.0 89.021446 17.0 91.055046 178.0 92.041061 18.0 92.235443 26.0 93.038139 74.0 93.072037 38.0 94.043633 30.0 95.052498 48.0 96.95845 18.0 97.030045 447.0 97.203232 26.0 103.600121 21.0 104.038246 55.0 106.043007 18.0 107.049561 20.0 108.020683 18.0 108.055298 21.0 109.027679 66.0 109.065163 1082.929443 110.070793 83.0 111.045425 20.0 111.075912 27.0 111.957436 19.0 112.088463 48.0 113.035316 18.0 114.652275 30.0 115.02018 18.0 116.920181 20.0 116.929604 42.126854 119.048477 197.0 121.031937 18.0 122.037834 159.0 123.960213 25.0 125.057014 18.0 127.957611 113.0 133.017654 50.0 133.035568 18.0 134.033371 52.0 135.045441 432.0 136.047821 75.0 137.023712 353.0 137.059952 2572.0 138.029495 47.776924 138.061966 243.0 139.113586 18.0 145.057632 38.0 147.988815 20.0 150.04068 18.0 150.920776 20.0 152.947052 18.0 153.05423 105.0 153.935471 19.0 153.96022 35.0 155.95314 142.0 156.956711 18.0 163.038452 37.0 167.950333 60.0 169.04837 17.0 169.96756 18.0 174.934753 18.0 176.100571 17.0 179.028076 31.0 181.050552 1049.0 182.058334 110.0 183.004028 18.0 183.056564 43.0 184.021011 21.0 184.084198 27.0 186.00705 18.0 196.056427 24.0 196.138382 25.0 197.119659 21.0 199.127335 20.0 201.058228 35.0 207.032928 38.0 211.108231 25.0 215.066437 24.0 216.966675 20.0 221.269974 18.0 225.043991 41.0 241.067352 37.0 244.026382 20.0 244.062088 22.0 258.13797 18.0 261.8237 19.0 265.979309 18.0 267.057129 23.0 284.1026 18.0 285.059265 437.000031 285.112335 17.0 285.142822 19.0 286.040924 19.0 286.065521 24.0 287.080322 26.0 287.148163 19.0 287.905518 18.0 287.962799 60.0 325.199005 24.0 390.029053 17.0 583.221558 20.0 674.35791 19.0 688.473206 19.0 750.32074 36.0 875.390015 18.0 922.596008 20.0 1183.349854 24.0 END IONS BEGIN IONS SCANS=64 PEPMASS=206.04553 CHARGE=0 COLLISION_ENERGY=0.0 51.294525 18.0 61.592976 31.0 73.034027 18.0 89.026787 18.0 91.052956 52.0 97.027718 20.0 103.003761 25.0 104.995979 22.0 105.016327 20.0 105.064964 24.0 107.053574 18.0 115.015045 31.0 118.030922 152.0 119.049065 43.0 120.046371 90.0 122.013657 18.0 123.04406 21.0 131.041962 31.0 132.044449 41.0 133.850708 19.0 134.026688 57.216835 134.059219 172.0 134.098328 20.0 134.877762 18.0 135.008438 18.0 136.064896 30.0 136.933945 18.0 136.98967 23.0 139.036804 26.0 143.044662 20.0 143.927322 21.0 144.046097 249.0 145.025345 20.0 147.031662 697.0 147.058701 28.0 147.160431 21.0 148.035477 39.0 149.616501 17.0 150.816025 19.0 151.023224 31.0 151.041122 125.0 152.599899 20.0 158.845139 24.0 159.891327 110.0 160.040543 316.0 161.054794 23.0 161.611969 24.0 162.055588 2840.0 163.059464 299.0 164.065384 64.0 166.026306 20.0 174.009933 23.0 179.034561 18.0 181.050323 47.0 188.037735 179.0 189.032043 64.0 194.01532 18.0 205.00769 18.0 206.045593 464.0 206.090393 44.0 206.164169 20.0 207.027817 84.0 207.051147 88.0 207.102509 20.0 209.039001 130.0 209.076981 27.0 209.121582 20.0 250.4561 23.0 267.400757 20.0 373.332184 17.0 431.086426 33.0 688.493652 28.999998 714.495728 37.0 975.626404 23.0 1028.713379 18.0 1055.733154 43.0 1069.894653 17.0 END IONS BEGIN IONS SCANS=65 PEPMASS=241.03506 CHARGE=0 COLLISION_ENERGY=0.0 59.015934 53.0 67.020401 24.0 74.023239 20.0 81.031944 39.0 81.939636 20.0 82.028381 26.0 82.931396 20.0 83.035202 18.0 83.93222 115.0 84.286758 22.0 87.010727 40.0 87.044533 65.0 89.023003 83.0 91.054741 65.0 92.049858 40.0 94.029846 25.0 95.046257 17.0 97.932411 48.0 98.017151 23.0 99.049553 28.0 99.924576 979.0 99.958641 18.0 100.710648 20.0 100.926186 79.0 107.033653 56.0 107.050125 18.0 107.951675 18.0 109.028267 100.0 109.064308 39.0 109.946312 23.0 110.020851 18.0 110.05777 20.0 111.013771 25.0 111.927055 20.0 111.965004 204.0 112.959351 18.0 114.016548 17.0 115.017044 34.0 117.931519 20.0 120.046333 79.0 121.052124 20.0 122.059052 93.0 123.010574 19.0 123.039284 18.0 123.909927 17.0 124.050369 23.0 125.060066 46.0 125.962692 93.0 127.042358 27.0 127.956253 628.0 128.954941 43.351475 128.968414 28.648525 129.023376 47.0 132.061401 17.0 133.072632 39.0 135.04483 20.0 135.07962 44.0 135.969467 62.0 137.024597 20.0 137.944443 28.0 138.058868 73.0 139.409012 22.0 143.921631 20.0 148.037109 71.0 150.997986 38.0 151.056213 20.0 151.960876 18.0 152.942596 26.0 152.966095 18.0 153.057388 93.0 153.939011 102.814781 153.956726 112.265099 153.979172 24.0 154.063248 17.0 155.034576 27.0 155.061035 17.0 155.951797 3777.306396 156.851562 18.0 156.912277 20.0 156.953796 381.0 157.051804 18.0 163.263412 17.0 166.046768 168.0 171.046997 22.0 171.069672 29.0 173.028778 23.0 173.087921 45.0 173.965027 80.0 177.086533 20.0 181.07988 19.0 181.169083 17.0 182.039734 20.0 182.05249 36.021214 186.044556 22.0 186.118896 18.0 190.935898 46.0 196.995422 30.0 197.041702 64.513138 197.059601 25.48686 198.05278 18.0 198.081635 18.0 198.604172 35.0 199.974854 42.0 204.079453 21.0 210.01561 19.0 210.039902 56.0 211.043823 36.0 223.01918 20.0 225.955368 51.0 226.156128 17.0 230.085205 23.0 240.057419 61.0 240.975723 41.0 241.048126 241.442215 241.971893 29.0 242.040115 36.0 242.081345 35.0 242.183426 18.0 243.021835 39.0 243.095779 50.0 243.124039 135.568619 243.967941 156.0 244.053116 76.0 244.087616 18.0 245.053467 109.0 245.098358 17.0 248.916763 20.0 277.164551 18.0 337.626221 19.0 354.287964 18.0 465.921326 20.0 540.317139 20.0 546.938171 55.0 554.23645 18.0 END IONS BEGIN IONS SCANS=66 PEPMASS=566.3458 CHARGE=-1 COLLISION_ENERGY=0.0 76.001785 18.0 96.054718 17.0 138.999817 17.0 152.997177 18.0 167.064545 17.0 208.936249 21.0 224.066986 18.0 247.582489 26.0 281.249634 1568.0 281.355774 20.0 282.253143 422.0 283.259033 147.0 297.165314 20.0 315.47345 17.0 325.184998 23.0 333.996002 17.0 337.182159 22.0 339.207794 35.0 395.085266 18.0 415.140198 29.0 422.927979 18.0 433.507446 42.0 434.183289 29.0 452.273285 19.0 461.26535 28.0 478.139099 23.0 500.977325 20.0 506.32663 656.0 507.332672 173.0 508.334961 43.0 513.84198 18.0 542.289001 17.0 566.265991 17.0 566.346619 61.0 567.341309 18.0 568.10614 18.0 568.355713 19.0 569.18512 18.0 569.273315 20.0 673.47168 20.0 688.505493 17.0 689.469238 18.0 707.501465 20.0 715.505066 18.0 716.517761 18.0 720.509033 21.0 732.434082 23.0 771.504822 20.0 822.429382 32.0 908.679565 49.0 1040.644165 19.0 1074.662964 20.0 END IONS BEGIN IONS SCANS=67 PEPMASS=362.24421 CHARGE=-1 COLLISION_ENERGY=0.0 52.880749 22.0 57.078491 25.0 62.84256 21.0 67.029465 17.0 74.024147 20.0 80.035278 20.0 81.044006 186.0 82.842224 22.0 89.837959 19.0 93.032089 19.0 93.044716 85.0 94.047836 36.0 100.929993 18.0 107.058563 40.0 108.057487 37.0 108.177132 17.0 108.485847 18.0 109.0355 43.0 109.05777 24.0 110.072083 4917.849609 110.434967 32.0 111.049545 20.0 111.076683 292.355469 111.640579 22.0 112.033348 18.0 112.07621 18.0 112.98571 22.0 113.020172 29.0 114.949379 18.0 118.042747 22.0 128.924835 35.0 133.924866 18.0 134.060913 18.0 134.712433 17.0 136.054962 120.0 137.034622 293.079742 137.053604 17.920258 137.535934 25.0 139.041321 17.0 142.945099 26.0 144.080002 17.0 145.550949 41.0 147.047714 18.0 148.079391 21.0 150.859909 22.0 151.006882 26.0 154.061478 4764.023438 154.316849 20.0 155.065125 228.0 156.064636 68.460396 156.07814 22.05175 156.604645 22.0 156.945724 18.0 158.087753 25.0 160.893082 17.0 165.05278 22.0 166.056229 19.0 173.032089 21.0 180.887115 39.0 188.946625 21.0 194.903748 18.0 194.919769 19.0 200.929749 18.0 202.928268 36.0 203.85556 18.0 203.922958 62.0 210.685074 30.0 211.124649 42.0 221.853638 25.0 224.196396 17.0 225.189865 655.549377 226.19136 65.0 232.974075 18.0 233.009186 18.0 234.911179 23.0 243.884171 18.0 247.034149 42.0 264.198853 450.0 265.198151 28.0 266.159546 18.0 267.2146 41.0 270.869995 37.0 271.005737 18.0 271.869446 74.0 271.965881 17.0 273.225708 35.0 273.252228 26.0 273.98996 17.0 274.233917 51.0 274.86731 18.0 277.161346 18.0 277.949097 17.0 283.215149 17.0 298.226288 17.0 300.243988 434.0 300.871399 35.0 301.227661 18.0 301.251862 22.0 312.174225 17.0 315.223206 20.0 316.240173 18.0 317.242188 18.0 318.254517 828.0 319.258789 126.0 319.865265 25.0 320.259155 18.0 321.277161 23.0 333.530487 23.0 344.232178 18.0 344.862701 40.0 361.082672 17.0 361.243347 17.0 361.899536 26.0 362.244598 6651.080078 362.324646 18.0 362.944794 19.0 363.249481 1925.0 364.252808 180.710159 364.368256 25.0 364.625092 26.0 365.010284 18.0 365.139771 18.000002 365.245178 42.73568 374.068176 21.0 445.847931 18.0 460.140228 18.0 465.342163 19.0 546.063538 24.0 660.337524 17.0 820.50885 18.0 1139.650146 18.0 END IONS BEGIN IONS SCANS=68 PEPMASS=160.03984 CHARGE=0 COLLISION_ENERGY=0.0 55.055264 20.0 57.0331 136.0 59.009995 48.0 65.021011 20.0 65.235252 22.0 66.058304 25.0 66.519829 41.0 67.048485 23.0 73.025574 17.0 86.377274 24.0 87.184364 17.0 90.037071 45.0 91.016869 42.0 98.025162 77.0 98.445869 17.0 99.008308 36.0 99.044724 1048.183105 99.219444 21.0 99.869438 38.0 100.045555 65.0 101.022102 302.0 101.048363 19.0 105.018738 18.0 107.142441 17.0 113.024048 18.0 113.921997 23.0 115.10025 21.0 116.049934 448.0 116.925156 35.0 117.036797 70.0 117.053734 53.0 118.028069 17.0 118.060143 40.0 120.546227 25.0 121.834366 18.0 131.038437 40.0 131.124466 19.0 132.045349 224.000015 135.056427 22.0 141.8936 32.0 142.924713 73.0 143.036789 39.0 143.897308 18.0 156.069229 18.0 157.049637 18.0 157.913818 17.0 159.031937 171.0 160.039505 4348.101562 160.162796 20.0 160.785034 38.0 161.04306 827.254456 161.542236 18.0 162.038315 42.0 162.055099 44.0 162.162537 30.0 163.001328 57.0 164.833511 20.0 171.949097 18.0 173.02858 20.0 203.007111 21.0 216.637772 21.0 216.969116 20.0 239.184647 20.0 257.572693 18.0 265.909302 18.0 353.20755 23.0 608.688538 17.0 628.323792 18.0 1106.217529 20.0 END IONS BEGIN IONS SCANS=69 PEPMASS=161.04494 CHARGE=0 COLLISION_ENERGY=0.0 53.491993 20.0 53.838558 21.0 57.033737 820.0 57.254055 19.0 58.037548 24.0 59.013214 388.0 63.109039 22.0 72.055939 18.0 81.946358 18.0 90.003639 18.0 96.425812 18.0 99.020248 19.0 99.044281 3174.84082 99.082413 21.0 99.092064 18.0 99.130569 20.0 99.180489 18.0 100.046997 248.0 100.75251 20.0 100.921188 18.0 101.024223 1231.816162 101.684555 18.0 102.024101 17.0 108.858955 20.0 114.055565 18.0 115.918022 59.0 116.053787 18.0 117.055473 68.0 117.930405 18.0 142.047699 38.0 147.183182 22.0 147.892899 18.0 149.061722 26.0 153.519638 18.0 160.039444 163.0 161.017838 17.0 161.044418 1803.0 161.136948 20.0 161.890488 26.0 162.0495 86.986931 162.336334 18.0 162.896317 21.0 164.038193 25.0 164.903076 18.0 164.996567 26.0 173.737534 22.0 188.055374 28.0 189.07637 22.0 206.611938 22.0 207.015671 18.0 223.09903 18.0 240.038757 37.0 241.069641 24.0 244.640991 20.0 263.341644 18.0 265.15329 25.0 272.066956 18.0 275.059448 18.0 276.664948 33.0 305.977631 20.0 325.185272 64.0 335.054291 18.0 370.487885 24.0 378.091858 20.0 397.081116 18.0 422.535004 18.0 430.769775 17.0 448.324036 20.0 450.119232 20.0 462.289978 25.0 556.224243 20.0 560.897339 18.0 567.299805 18.0 572.177734 43.0 577.152466 18.0 715.505981 17.0 727.353455 19.0 738.464233 18.0 749.968384 28.0 798.459595 18.0 874.274231 29.000002 914.497253 18.0 969.144348 18.0 980.273499 19.0 996.315735 32.0 999.425598 20.0 1044.576538 53.0 1088.633911 21.0 1141.604858 20.0 1143.559082 20.0 1143.713989 18.0 END IONS BEGIN IONS SCANS=70 PEPMASS=336.22903 CHARGE=-1 COLLISION_ENERGY=0.0 52.03154 18.0 74.723587 17.0 80.038544 18.0 81.046074 75.0 82.045998 17.0 85.76712 20.0 93.045425 254.0 108.054504 37.0 110.071823 3942.0 110.093239 18.0 111.076935 219.0 111.317307 18.0 117.023239 20.0 119.02697 25.0 127.033203 26.0 127.05024 21.0 129.924469 20.0 130.662964 20.0 131.954437 20.0 136.049179 18.0 137.033875 304.0 138.999771 17.0 140.059952 30.0 145.030334 18.0 147.05748 17.0 151.073624 22.0 153.014481 34.0 154.061371 3122.534912 154.85701 20.0 155.062546 215.0 164.898483 20.0 165.090881 17.0 166.054749 21.0 173.050491 17.0 183.011047 156.0 184.018036 78.0 184.999023 23.0 185.04451 20.0 188.941162 24.0 192.980621 18.0 197.030396 28.0 198.186234 218.0 199.171097 549.725647 199.775131 20.0 200.173874 38.0 203.664886 20.0 215.929672 21.0 219.94136 20.0 230.997528 22.0 235.171768 24.0 238.183395 497.0 239.174591 20.0 240.185135 23.0 242.011017 17.0 243.922379 20.0 247.224335 42.0 251.069305 22.0 256.202454 24.0 258.970947 29.000002 261.352173 25.0 263.052673 19.0 265.046143 22.0 265.232483 46.0 270.861206 18.0 274.228302 369.0 275.22406 57.0 289.177917 19.0 290.216919 42.0 292.141846 19.0 292.241028 846.0 292.920227 18.0 293.179565 18.0 293.237671 61.04398 293.257111 27.0 299.152954 18.0 301.784363 20.0 318.217407 56.0 325.18576 20.0 335.108795 28.0 335.169098 22.0 336.128906 17.0 336.228851 4556.0 337.077271 40.0 337.100983 18.0 337.182617 81.476051 337.232941 877.540344 338.233948 104.0 339.143463 60.0 339.200928 1670.284424 340.202301 217.503052 341.496246 18.0 417.53363 18.0 555.301636 19.0 588.351196 25.999998 688.550781 33.0 713.523926 18.0 714.561096 20.0 754.249512 17.0 772.509949 19.0 999.762695 17.0 1024.833984 18.0 1164.482422 24.0 END IONS BEGIN IONS SCANS=71 PEPMASS=151.06062 CHARGE=0 COLLISION_ENERGY=0.0 55.015732 18.0 57.033783 39.0 59.013359 527.0 59.085514 22.0 59.574268 21.0 71.013535 788.0 73.027306 255.0 73.397064 19.0 73.536133 18.0 79.017372 18.0 83.013031 23.0 84.017319 53.406097 84.025558 21.0 85.027519 171.0 89.023773 578.072144 90.026764 39.0 91.02636 21.332937 91.03669 22.0 92.045677 18.0 96.957855 19.0 97.027901 53.0 99.008003 18.0 101.024361 508.0 102.0242 41.0 103.043594 31.0 108.041473 17.0 109.032089 90.709305 119.035995 35.0 131.030396 57.0 133.049515 35.0 151.06041 1235.919189 152.035873 18.0 152.063492 56.0 153.091965 17.916737 153.106247 40.742855 169.00621 18.0 215.326218 20.0 418.258514 28.000002 688.498718 20.0 END IONS BEGIN IONS SCANS=72 PEPMASS=459.11368 CHARGE=-1 COLLISION_ENERGY=0.0 50.484558 18.0 52.360626 20.0 59.013321 413.0 67.910522 72.0 71.014183 480.0 72.015709 20.0 72.389847 24.0 74.997368 24.0 76.418182 30.0 85.027809 53.0 85.595276 18.0 86.99469 16.008205 87.007149 106.991798 88.011749 17.0 88.270706 22.0 89.023766 832.0 92.869072 20.0 93.031929 17.0 95.048508 26.0 99.912132 24.0 100.421204 20.0 101.025436 728.0 102.029228 18.0 105.025574 39.0 107.041214 17.0 112.048126 17.0 113.024063 325.0 114.030029 18.0 114.055901 20.0 115.926292 24.0 116.926018 19.0 117.02079 100.0 119.035217 416.579254 119.046112 270.234833 120.04937 43.0 121.028694 360.0 121.067307 38.0 122.03318 38.0 122.87542 18.0 123.006821 19.0 123.04628 18.0 124.141319 17.0 125.025436 22.0 127.050064 21.0 130.087555 35.0 131.032776 18.0 133.006851 18.0 135.030823 94.0 135.275452 20.0 137.060272 225.0 137.843842 17.0 140.036942 18.0 141.019928 29.0 141.053375 19.0 143.036911 71.0 144.490585 19.0 146.963104 25.0 147.043304 475.0 148.049332 46.0 148.550858 17.0 149.022903 21.0 149.044601 40.0 149.956009 18.0 150.0327 20.0 150.054993 25.0 153.091339 23.0 161.043274 243.0 163.038651 21.0 164.875534 18.0 165.016663 49.0 165.055603 1218.0 165.270401 18.0 165.644302 22.0 165.908112 18.0 166.058029 110.0 171.004776 23.0 177.025803 22.0 178.020706 20.0 178.740799 28.0 179.055527 109.0 182.95578 19.0 183.064362 21.0 184.165619 19.0 189.067062 20.0 191.036331 38.0 196.064484 20.0 197.139679 18.0 207.066864 137.0 209.097229 18.0 210.988297 29.0 213.06131 18.0 217.967178 17.0 225.006027 18.0 225.021393 18.0 225.077682 379.0 226.080338 40.0 227.187164 23.0 229.320984 18.0 232.972519 20.0 234.034714 18.0 235.058411 20.0 235.729355 18.0 239.065277 18.0 240.053864 21.0 243.185257 35.0 251.055618 1036.60376 251.101517 20.0 252.06076 103.0 253.440887 22.0 255.895752 17.0 257.081299 19.0 259.124054 20.0 265.038208 19.0 265.149384 22.0 267.011963 42.0 269.066376 207.155228 270.075134 39.0 277.189117 24.0 284.070496 18.0 293.85553 20.0 296.786102 25.0 297.148376 25.0 311.164978 266.0 312.17981 17.0 321.061432 38.0 322.950348 19.0 326.090424 18.0 327.10733 37.0 328.126373 18.0 329.114319 18.0 333.021118 20.0 340.882538 26.0 369.106934 25.0 369.159668 19.0 370.169434 20.0 371.097076 72.0 379.105743 20.0 383.049194 18.0 384.18924 25.0 389.11557 21.0 395.981842 23.0 399.097015 20.0 413.181 18.0 417.118713 23.0 431.1185 501.0 432.132294 100.0 433.132263 63.0 436.6987 20.0 440.260956 37.0 446.092194 18.0 447.461609 18.0 458.080139 41.0 459.112732 1540.550781 459.195801 78.0 459.26709 18.0 460.120239 435.0 460.575256 29.0 461.118347 167.659119 461.181549 22.0 461.372803 18.0 462.114136 38.0 472.153748 17.0 492.393097 20.0 497.151245 22.0 530.209839 22.0 536.275269 20.0 726.414429 20.0 751.157959 22.0 909.201904 20.0 964.645508 18.0 974.440613 18.0 977.553345 18.0 1006.554321 18.0 1022.114258 19.0 1022.600586 28.0 1037.344116 21.0 1055.694092 24.0 1073.855225 18.0 1197.654907 17.0 END IONS BEGIN IONS SCANS=73 PEPMASS=687.54407 CHARGE=-1 COLLISION_ENERGY=0.0 66.143692 18.0 74.276794 23.0 75.719055 38.0 78.958801 359.0 79.28009 26.0 79.631828 18.0 84.02227 45.0 89.726898 19.0 105.956642 18.0 128.034454 27.0 139.287003 22.0 140.011002 3991.0 140.516724 18.0 141.007584 39.0 141.54393 18.0 142.018799 20.0 151.570007 41.0 155.037216 18.0 196.044296 118.0 227.099167 20.0 227.127151 18.0 227.198029 41.0 239.065903 66.566071 240.051407 18.0 245.783615 18.0 251.187531 39.0 253.217133 2290.367432 254.01004 18.0 254.21904 303.0 254.633621 18.0 254.811569 18.0 255.231339 591.561157 256.235687 21.0 256.519165 20.0 258.956543 21.0 268.315765 18.0 280.23645 37.0 280.360626 17.0 281.246552 117.0 311.159088 18.0 312.309875 29.0 313.622223 18.0 325.182281 26.0 351.784424 31.0 365.219147 52.0 367.536346 20.0 424.242401 61.0 426.968109 20.0 432.246277 69.0 432.324585 18.0 434.253265 18.0 450.276093 51.0 452.269379 78.0 558.289185 18.0 563.382996 18.0 642.167969 18.0 659.513 93.000008 660.514526 56.0 677.403259 18.0 678.461853 19.0 686.473206 131.594788 686.530945 344.405212 686.641785 18.0 687.187988 18.0 687.313232 17.0 687.358948 17.0 687.441711 25.0 687.543762 18642.908203 687.673035 24.920263 687.772217 18.0 688.158875 25.0 688.487793 1025.402588 688.54657 8824.597656 688.934937 41.0 689.039795 17.0 689.322632 23.0 689.55188 1853.042358 690.492249 97.0 690.556702 444.0 690.686584 17.0 693.510864 21.0 696.066467 18.0 697.289429 17.0 713.536255 20.0 715.586487 22.0 729.028259 18.0 743.608521 18.0 802.655762 18.0 947.588501 29.0 1027.635498 19.0 1051.753052 31.999998 1082.739014 18.0 END IONS BEGIN IONS SCANS=74 PEPMASS=165.01883 CHARGE=0 COLLISION_ENERGY=0.0 67.022003 20.0 77.038521 1281.0 78.959862 17.0 79.956093 99.0 87.009491 33.0 89.02108 21.0 95.126221 18.0 95.332039 19.0 97.043869 18.0 103.892159 17.0 108.021034 26.000002 108.047226 20.0 118.99427 23.0 120.051331 22.0 121.028969 1437.0 121.063683 18.0 122.036682 37.0 123.043106 82.0 125.874321 20.0 136.018967 22.0 137.02327 40.0 142.701157 17.0 152.004181 19.0 164.698029 24.0 164.891418 17.0 165.019791 370.0 166.016296 39.0 166.052475 128.0 168.985794 19.0 169.019638 18.0 182.292786 18.0 182.952957 18.0 209.045242 18.0 216.552124 24.0 219.625961 18.0 222.536209 24.0 230.266953 23.0 230.953033 48.0 235.05661 23.0 235.82811 22.0 246.137177 18.0 258.074341 30.0 259.003052 42.0 269.067535 22.0 283.013916 20.0 299.149109 18.0 300.131866 17.0 325.188263 29.0 328.185272 23.0 332.363037 17.0 339.204315 18.0 340.361328 29.0 343.155975 37.0 351.071198 17.0 366.152618 22.0 381.151337 18.0 397.091064 20.0 458.151123 18.0 478.292542 52.0 521.199463 36.0 529.088623 21.0 544.897217 32.0 581.203979 18.0 584.378906 18.0 657.501282 22.0 659.504333 35.0 660.51825 17.0 687.540283 38.0 736.159485 21.0 742.542908 18.0 743.330383 22.0 799.487549 26.0 849.372559 18.0 977.415955 24.0 1000.705872 30.0 1028.77002 18.0 1035.588013 31.0 1085.603638 20.0 1099.720093 21.0 1123.314575 48.0 1179.826294 18.0 1182.748413 22.0 END IONS BEGIN IONS SCANS=75 PEPMASS=659.51243 CHARGE=-1 COLLISION_ENERGY=0.0 64.103355 18.0 73.037956 25.0 78.96051 685.0 81.272682 19.0 84.012489 19.0 99.243507 20.0 131.127899 18.0 136.991837 18.0 140.011871 5799.975098 140.412292 18.0 140.932541 20.0 141.013153 253.0 142.2603 23.0 143.06012 18.0 144.561707 21.0 144.65213 18.0 163.022369 35.0 164.939438 38.0 165.022171 39.0 166.056793 18.0 167.599457 18.0 226.185532 18.0 227.209076 20.0 227.969223 18.0 229.325241 20.0 253.215347 121.0 253.685196 18.0 254.228668 20.0 255.229691 35.0 278.951355 18.0 279.384644 18.0 281.244446 18.0 310.857025 21.0 311.171295 22.0 311.293671 55.0 340.213531 20.0 354.079559 17.0 365.21521 98.0 367.175781 17.0 367.304321 48.0 408.040802 19.0 417.246185 18.0 433.249847 22.0 461.358673 20.0 477.349121 37.0 540.368591 20.0 582.248169 18.0 592.298035 18.0 598.444458 17.0 632.494873 27.999998 641.357178 35.0 645.488892 18.0 646.667114 25.0 649.79541 17.0 649.860352 26.0 655.471863 42.999996 657.50238 40.0 657.581604 18.0 658.435181 18.0 658.50531 353.0 659.085144 22.0 659.136047 26.0 659.189392 24.0 659.250366 21.0 659.33197 21.0 659.514526 23117.005859 659.643433 36.0 659.881592 18.0 660.097778 20.0 660.518311 10073.335938 660.645081 21.0 660.821838 18.0 661.522156 2094.0 661.934326 20.0 662.522461 279.0 663.204041 39.0 664.65741 18.0 665.098694 18.0 666.096191 20.0 667.310913 18.0 669.191223 18.0 670.333557 18.0 671.973389 20.0 673.529358 42.0 687.545227 180.0 688.502747 18.0 688.541199 25.0 701.565918 22.0 702.56012 24.0 713.558167 83.0 715.594177 29.0 717.527771 18.0 757.50293 17.0 775.540283 28.0 817.424683 44.0 854.791321 22.0 858.678894 19.0 885.249878 17.0 938.409607 22.0 955.727478 18.0 1003.801147 18.0 1073.03833 22.0 1084.391602 18.0 1120.031128 20.0 1122.012207 18.0 1140.856934 17.0 1152.819702 40.0 1154.808105 17.0 1154.87793 18.0 1182.895264 22.0 END IONS BEGIN IONS SCANS=76 PEPMASS=631.48103 CHARGE=-1 COLLISION_ENERGY=0.0 78.958801 146.0 87.572754 20.0 93.428169 18.0 126.055016 25.0 137.037109 18.0 140.0121 1668.0 140.410263 20.0 141.015488 117.0 144.059296 39.0 173.085495 18.0 194.06189 17.0 227.197372 20.0 265.15155 44.0 267.738037 17.0 281.248688 22.0 298.159088 31.0 365.213501 18.0 368.809692 17.0 398.233734 20.0 572.44751 18.0 588.456482 18.0 613.109497 20.0 615.344299 22.0 630.398987 19.0 630.47345 592.0 631.483032 4703.171875 632.032837 17.0 632.486206 1601.0 633.3302 20.0 633.491943 283.0 634.313477 28.0 634.496216 111.0 644.019348 19.0 667.007568 20.0 779.445435 18.0 997.728088 23.0 END IONS BEGIN IONS SCANS=77 PEPMASS=246.13408 CHARGE=-1 COLLISION_ENERGY=0.0 50.63718 18.0 52.616627 18.0 57.034622 18.0 57.972584 19.0 60.991596 35.0 70.962952 20.0 71.047699 21.0 72.046844 81.0 72.995857 25.0 73.047157 23.0 74.024391 3547.0 74.3339 22.0 75.008858 18.0 75.027107 117.0 75.190552 18.0 75.301102 22.0 76.521889 20.0 84.4422 18.0 85.012344 18.0 85.031822 18.0 89.675804 18.0 93.038239 37.0 95.051895 92.0 97.066574 233.599548 97.420471 18.0 98.02018 44.0 98.059044 18.0 98.069862 17.0 99.046059 34.0 99.922745 38.0 100.92868 243.0 101.004128 24.0 101.514252 18.0 101.931358 17.0 102.022186 26.0 104.035362 1031.0 105.039337 54.0 110.948257 19.0 111.07576 20.0 112.036858 26.0 113.025131 20.0 113.095909 169.0 114.947823 121.0 115.019577 58.0 116.066055 18.0 117.021507 30.0 119.787064 24.0 120.044945 42.0 123.080246 369.0 124.079506 57.0 125.023132 18.0 126.088577 26.0 128.106445 421.0 128.960007 125.0 128.996582 19.0 129.034576 18.0 129.112289 39.0 129.939514 23.0 130.087509 24.0 132.918289 24.0 133.663284 18.0 135.03949 29.0 138.093964 20.0 139.077789 20.0 139.11348 20.0 139.938095 18.0 140.072266 17.0 140.109787 21.0 141.092224 522.614685 142.094284 34.0 143.120972 18.0 143.913467 20.0 144.574219 24.0 144.90538 20.0 144.922714 37.0 148.040756 34.0 152.10762 49.0 153.112366 33.0 154.120361 143.0 155.118958 74.0 155.951126 148.0 156.103317 224.0 156.951431 278.49588 157.030624 37.0 157.108063 35.0 157.122986 28.0 157.951706 151.0 158.118484 19.0 158.959549 65.0 159.101242 78.0 159.88446 35.0 159.942032 18.0 160.104919 18.0 160.95874 18.0 161.061676 23.0 161.90921 24.0 164.110382 17.0 166.126999 18.0 169.102036 24.0 170.075943 38.0 170.118713 468.0 170.20726 18.0 171.028946 19.0 171.105103 18.0 171.122513 37.0 172.035141 20.0 172.132355 267.0 173.027267 42.0 173.126587 18.0 176.910767 17.0 179.322708 20.0 180.041168 36.0 182.120895 88.0 182.997818 20.0 184.13443 2208.0 185.139328 403.0 186.134399 18.0 187.083694 24.0 191.255081 18.0 198.111145 162.0 199.118164 43.0 200.131546 18.0 201.123016 20.0 201.990219 20.0 202.146805 77.0 205.939026 17.0 209.019485 22.0 210.075607 37.0 216.050934 20.0 216.123489 5485.0 216.172226 23.0 217.12616 649.915161 218.130951 40.0 219.127731 39.0 220.943329 22.0 221.73822 18.0 222.115967 20.0 223.662827 18.0 223.976929 20.0 228.126877 18.0 229.090378 22.0 231.023682 18.0 231.074173 48.0 244.98172 40.0 245.047531 188.0 245.11319 20.0 246.053055 43.0 246.13443 2711.0 246.454163 18.0 247.042206 29.0 247.071411 18.0 247.094925 22.0 247.137924 443.0 248.030838 20.0 248.136673 84.0 249.05838 38.0 249.148499 57.0 249.84523 24.0 250.14624 18.0 255.10376 18.0 265.148712 18.0 267.955231 18.0 268.086823 18.0 269.062408 23.0 311.170135 20.0 325.188324 31.0 327.186432 21.0 331.099945 21.0 344.224945 29.0 347.065521 17.0 351.56604 17.0 368.055542 18.0 373.921204 20.0 399.10553 18.0 403.104797 36.0 404.148376 18.0 409.189026 22.0 409.968964 17.0 452.240051 21.0 467.156464 17.0 473.005676 26.0 527.131226 21.0 583.278931 20.0 657.499573 21.0 658.501404 21.0 659.503235 56.0 689.544495 20.0 693.136353 20.0 713.588257 28.0 715.537476 18.0 716.505737 25.0 721.364197 17.0 748.376343 18.0 787.497314 19.0 824.28949 18.0 828.353149 17.0 860.590393 31.0 872.395264 18.0 907.676147 20.0 914.851624 37.0 967.36853 17.0 1024.259155 24.0 1055.130859 18.0 1088.465332 22.0 1100.721436 25.0 1104.944458 17.0 1171.840576 18.0 END IONS BEGIN IONS SCANS=78 PEPMASS=229.07104 CHARGE=0 COLLISION_ENERGY=0.0 54.059654 18.0 59.01215 17.0 66.065605 18.0 69.949707 18.0 71.433365 18.0 77.615982 18.0 81.037033 27.0 81.068161 35.0 83.049408 18.0 83.931198 38.0 84.926338 18.0 85.361298 20.0 87.046013 19.0 88.252449 22.0 89.027458 42.0 92.387985 17.0 93.045479 17.0 93.069466 20.0 94.042175 81.0 94.952988 19.0 95.049225 317.0 96.055855 25.0 96.958939 18.0 96.993958 22.0 97.946365 50.0 98.952278 55.0 99.004417 20.0 99.924629 118.0 102.952316 18.0 103.05426 18.0 105.002022 18.0 105.069069 58.0 106.041985 82.0 106.077652 21.0 106.192215 18.0 107.050461 37.0 108.06144 18.0 109.065689 181.0 110.067825 37.0 111.081245 319.0 112.079781 18.0 113.062103 18.0 114.058044 26.0 115.004906 47.0 115.019753 18.0 116.962051 20.0 119.032433 20.0 121.065521 1575.661499 121.725883 18.0 122.066269 67.0 123.080505 1315.0 123.234009 18.0 124.005608 25.0 124.053146 36.0 124.085953 124.0 125.065536 44.0 126.94709 47.0 127.050774 18.0 127.935547 20.0 127.959129 62.0 129.937637 109.0 131.065414 38.0 131.757843 20.0 138.938553 20.0 138.992096 19.0 139.039337 47.0 139.072876 62.0 139.940018 42.0 139.954208 60.0 140.109772 34.0 140.915283 17.0 140.953064 40.0 141.088882 268.0 141.893845 33.0 141.934555 364.0 142.056213 25.0 142.091522 58.0 142.940018 110.0 143.008514 20.0 143.117737 22.0 143.949646 36.0 144.036224 24.0 144.129196 18.0 144.961975 18.0 145.097595 38.0 147.071259 18.0 149.060394 20.0 149.093307 18.0 150.48941 18.0 152.007324 21.0 152.055283 40.0 153.057495 40.0 153.956039 18.0 155.071793 663.0 155.914978 18.0 155.95311 206.783691 156.076157 19.0 156.916733 17.0 156.956573 53.0 157.007111 20.0 157.931656 68.0 157.958023 18.0 158.067062 35.0 158.738922 17.0 158.887375 62.0 158.981323 18.0 159.044846 18.0 159.09169 18.0 159.880539 19.0 160.89032 18.0 161.047577 18.0 166.939178 18.0 167.02298 20.0 167.071167 2231.647949 167.206604 20.0 167.549408 20.0 168.072372 195.0 169.021378 34.0 169.081421 17.0 170.111908 19.0 171.027893 17.0 175.016342 21.0 177.017517 18.0 181.052277 59.0 182.988342 42.0 183.927902 18.0 184.146988 19.0 184.25032 22.0 185.080566 233.0 185.919205 23.0 185.963547 46.0 186.047302 41.0 186.084045 61.0 186.929825 18.0 187.058975 17.0 187.083679 29.0 187.110764 92.0 188.107208 18.0 193.052551 17.0 199.062332 180.0 200.075119 29.0 201.463409 19.0 210.91658 25.0 211.060379 1059.569702 211.912674 32.0 212.065689 75.0 213.068863 18.0 216.44162 19.0 225.693222 20.0 228.91713 28.0 229.070953 1325.135742 229.1194 63.0 230.072128 228.0 230.908234 20.0 231.035278 47.0 231.068512 47.0 231.11937 18.0 231.944153 38.0 237.039352 22.0 246.139069 59.0 265.048798 17.0 284.038696 21.0 291.192535 18.0 309.103699 65.0 319.830048 18.0 320.076538 34.0 326.189941 23.0 339.200775 50.0 360.204956 19.0 403.759644 22.0 439.122528 37.0 465.174377 19.0 476.205902 24.0 494.214691 22.0 496.128601 21.0 515.192139 18.0 530.287781 18.0 548.157959 38.0 579.368774 18.0 643.465393 17.0 657.463074 24.0 659.525208 58.0 678.335999 18.0 685.53656 18.0 689.548035 27.0 861.346558 20.0 869.580139 18.0 885.588867 20.0 899.293579 18.0 900.390442 18.0 957.620667 24.0 973.392334 26.0 986.585022 18.0 993.652893 20.0 1011.638245 19.0 1023.275757 18.0 1031.404175 22.0 1081.303833 17.0 1112.463745 18.0 END IONS BEGIN IONS SCANS=79 PEPMASS=215.10301 CHARGE=-1 COLLISION_ENERGY=0.0 58.028179 38.0 67.03067 18.0 72.043968 20.0 73.507957 17.0 74.024567 46.0 82.029068 114.0 83.032684 20.0 83.060715 94.0 84.043976 161.0 84.06073 19.0 85.057602 18.0 86.060165 5006.896484 86.226433 36.0 86.288567 46.0 87.043602 129.0 87.062897 293.0 88.021461 17.0 88.038086 17.0 89.021866 28.0 92.055389 25.0 95.336525 18.0 97.945412 20.0 99.04454 98.0 99.076187 17.0 100.074982 147.0 100.937225 81.0 101.003609 20.0 101.071182 136.0 105.126228 17.0 105.777245 20.0 108.445534 23.0 109.041267 607.0 109.069168 18.0 110.020844 36.0 110.953255 18.0 111.012733 18.0 111.045975 20.0 111.092522 31.0 112.079689 83.0 113.079475 20.0 113.937721 32.0 114.027267 19.0 115.023529 19.0 115.172462 25.0 116.923973 59.0 117.01741 17.0 117.925827 23.0 119.013535 23.0 121.065086 48.0 124.048363 22.0 125.028503 39.0 125.060822 23.0 125.938118 18.0 126.056961 102.0 126.091881 173.0 126.183083 18.0 126.931091 120.0 127.050781 3788.0 127.076965 20.0 127.091438 21.0 127.738441 32.0 127.885315 20.0 127.925262 36.0 128.034866 487.266266 128.057632 148.101501 128.102509 55.442448 128.114792 44.557552 129.038879 34.0 130.000046 20.0 132.034531 27.0 134.013229 28.0 135.089966 61.0 138.075104 18.0 139.075134 240.0 140.081268 33.0 141.937088 33.0 142.056808 38.0 142.618378 20.0 142.921021 63.621582 144.058578 18.0 145.061478 788.842285 145.645309 20.0 146.064407 78.0 146.409119 19.0 147.061295 17.0 148.985077 35.0 150.8974 25.0 152.361465 18.0 152.477524 25.0 153.102951 6294.0 153.164139 32.0 153.286133 21.0 154.103867 518.256653 154.228271 18.0 155.109451 67.0 161.891235 18.0 167.054565 21.0 169.941864 18.0 170.089783 17.0 170.938202 18.0 171.113663 379.261749 172.110153 18.0 173.020126 18.0 175.036133 20.0 176.058167 20.0 183.066666 41.0 183.846786 24.0 183.861206 17.0 197.092422 2402.0 197.812195 23.0 198.095627 344.280853 199.09639 41.0 199.843384 18.0 200.065857 17.0 200.1008 26.0 200.167648 18.0 201.844925 18.0 202.023911 18.0 213.949646 18.0 214.053131 20.0 214.073898 20.0 214.94519 36.0 215.06163 117.0 215.103104 3380.0 215.363129 18.0 215.8479 18.0 216.10553 532.53302 217.024811 20.0 217.109726 36.0 219.028778 20.0 251.114517 32.0 271.42395 20.0 276.761108 18.0 330.268341 20.0 528.124756 21.0 540.379456 30.0 558.56311 24.0 590.210388 25.0 658.50592 18.0 674.534241 29.0 687.533875 17.0 1068.678467 33.0 1180.683228 20.0 END IONS BEGIN IONS SCANS=80 PEPMASS=365.16332 CHARGE=0 COLLISION_ENERGY=0.0 50.396465 22.0 63.733475 27.0 64.003723 22.0 71.010773 72.0 73.397583 20.0 80.964233 3666.485107 81.159363 23.0 81.966446 22.0 82.838715 20.0 82.960953 148.0 87.825981 18.0 90.988205 46.0 100.930275 22.0 103.892891 18.0 112.986664 20.0 116.653214 20.0 133.05864 26.0 133.755768 18.0 134.975174 249.76918 135.083191 21.0 137.212341 21.0 139.354462 30.0 140.894806 21.0 140.938278 20.0 141.894882 36.0 146.964706 20.0 150.928696 42.0 152.982559 44.0 154.982208 44.0 157.15686 20.0 162.836563 28.0 165.987579 40.0 167.459702 20.0 171.433243 17.0 175.924637 22.0 178.964874 84.0 179.967178 48.0 197.951492 18.0 198.87735 22.0 201.021866 19.0 204.830475 27.0 205.943253 18.0 211.207336 25.0 213.276688 18.0 216.873779 20.0 222.985336 20.0 223.048279 22.0 231.026672 23.0 231.964066 27.0 235.129395 22.0 239.20282 29.0 248.964752 18.0 250.028687 25.0 258.041565 18.0 265.868805 22.0 269.214722 21.0 270.871002 31.0 272.638489 29.0 272.924164 17.0 273.846893 18.0 282.099518 28.0 283.190887 24.0 285.116241 18.0 290.95816 18.0 292.892761 23.0 296.124207 36.0 297.168213 36.0 321.175201 940.0 322.150055 18.0 322.178558 78.0 323.177856 136.973724 324.177124 25.0 328.774323 18.0 330.09494 17.0 333.138214 18.0 345.978699 19.0 346.838654 22.0 351.138428 22.0 364.110291 25.0 364.891815 18.0 365.163971 1770.0 365.246277 18.0 366.168488 236.0 366.912048 17.0 367.155121 103.0 367.340393 18.0 368.181549 58.0 368.2146 32.0 400.99469 17.0 414.830902 19.0 432.429962 18.0 565.250732 27.0 624.548218 19.0 660.524475 18.0 704.000793 18.0 901.500244 18.0 987.65509 18.0 1096.749634 18.0 1128.651978 23.0 1161.531494 20.0 END IONS BEGIN IONS SCANS=81 PEPMASS=187.0411 CHARGE=-1 COLLISION_ENERGY=0.0 54.861134 19.0 55.746941 22.0 55.788448 18.0 56.236874 22.0 57.88451 17.0 65.0354 19.0 68.853249 18.0 71.013405 250.0 72.966888 18.0 72.990311 18.0 82.24099 18.0 84.656914 18.0 85.027534 30.0 87.004791 134.0 89.025116 30.0 90.674904 18.0 93.880707 18.0 98.524635 18.0 99.532631 31.0 100.933647 66.0 100.969994 18.0 101.003578 18.0 101.308121 18.0 102.0056 32.0 103.860321 50.0 105.005157 22.0 106.957558 24.0 109.771988 21.0 111.007706 18.0 114.025253 1204.084839 115.020348 6847.495605 115.063675 21.0 115.801262 17.0 115.854774 23.0 115.876144 18.0 115.925941 27.0 116.02211 213.0 116.836288 28.0 116.963554 22.0 117.027534 60.0 124.966904 20.0 125.027084 115.0 125.097771 22.0 126.626335 28.0 135.334763 18.0 140.918289 21.0 141.934692 20.0 142.966263 19.0 143.015549 20.0 143.04892 37.0 143.07486 20.0 144.013458 18.0 144.052002 22.0 144.957581 35.0 145.01207 18.0 145.895477 20.0 145.955566 18.0 153.473343 29.0 157.507294 23.0 158.041656 22.0 159.896454 18.0 160.690979 17.0 160.888779 18.0 166.846375 28.0 170.007858 37.0 171.009903 45.0 180.231064 20.0 184.302216 18.0 186.044052 778.0 186.11412 19.0 187.041321 5314.233887 187.096222 23.0 187.415955 18.0 188.02298 91.78347 188.045792 419.216522 189.017227 103.0 189.041916 86.338516 189.060822 67.740036 189.109589 17.0 189.887283 20.0 190.026138 17.0 190.047714 23.724464 190.064026 43.275536 199.309174 50.0 208.367691 18.0 219.856567 17.0 222.368454 21.0 226.265732 17.0 228.058121 29.0 284.482666 17.0 291.853973 18.0 351.419098 17.0 384.109619 31.0 396.636414 20.0 424.624207 19.0 425.059113 26.0 436.283417 18.0 464.062958 21.0 469.218658 17.0 490.401367 20.0 500.092377 20.0 510.201233 18.0 516.147156 18.0 638.150391 18.0 639.96167 24.0 764.655762 17.0 859.892212 23.0 907.180603 18.0 1046.976196 26.0 1061.638672 34.0 1089.679321 18.0 1092.5271 20.0 1104.610107 17.0 1122.304688 18.0 1199.322266 23.0 END IONS BEGIN IONS SCANS=82 PEPMASS=115.02029 CHARGE=0 COLLISION_ENERGY=0.0 63.014889 18.0 63.044365 21.0 65.834099 18.0 76.797783 18.0 98.487144 22.0 99.923607 142.0 100.012856 20.0 100.927612 43.0 109.724876 21.0 110.022667 41.0 114.024246 86.0 115.020988 328.0 115.917923 170.0 116.929893 140.0 117.016731 19.0 117.922958 20.0 128.433609 22.0 138.802261 22.0 148.79689 22.0 160.347458 21.0 167.46489 27.0 174.464005 21.0 187.489182 18.0 228.326889 30.0 279.995544 44.0 303.998108 25.0 335.100861 18.0 358.631714 34.0 367.357117 29.0 382.010284 20.0 474.426422 18.0 533.762146 24.0 559.945496 24.0 607.818848 20.0 727.412842 20.0 811.489624 20.0 878.064575 18.0 END IONS BEGIN IONS SCANS=83 PEPMASS=463.10876 CHARGE=0 COLLISION_ENERGY=0.0 59.01334 117.0 71.013969 167.0 73.033829 47.0 75.008194 36.0 87.012993 46.0 87.033379 17.0 89.023689 232.0 92.898682 18.0 95.054733 56.0 96.955025 20.0 100.008095 18.0 101.026024 397.254974 105.034737 46.0 109.026543 42.0 111.011559 19.0 113.02285 106.0 114.028198 24.0 115.020714 20.0 115.709969 24.0 117.023033 18.0 119.034714 224.0 121.028557 80.0 122.03067 22.0 123.006569 60.0 125.022598 22.0 125.866798 31.0 128.028839 18.0 130.016907 20.0 131.048401 34.0 132.020828 19.0 133.025925 17.0 135.026718 25.0 137.020538 70.0 139.039001 38.0 140.249954 25.0 143.036133 112.0 147.040375 34.0 149.024597 218.0 149.04863 40.0 149.549423 44.0 150.965622 18.0 151.040649 100.0 151.079422 22.0 151.390381 22.0 152.005432 30.0 153.018738 253.0 155.03067 17.0 160.738968 18.0 161.025009 154.459976 161.052307 21.66922 161.585236 23.0 162.027252 46.0 162.338257 17.0 165.055878 36.0 167.032516 133.0 169.048431 19.0 173.022858 22.0 175.00296 39.0 175.038071 27.0 177.019653 387.0 179.033661 60.0 179.055649 118.0 183.030136 19.0 183.250519 18.0 187.034821 17.0 190.011246 27.0 190.055115 19.0 190.996414 18.0 191.032623 58.0 193.014145 77.0 193.050598 91.0 195.027725 102.0 195.060806 20.0 202.998978 21.0 203.020432 26.0 204.035278 18.0 205.012985 1272.0 205.051514 56.0 206.016922 175.0 206.060898 41.0 206.165268 18.0 207.018204 58.0 208.045654 65.0 209.045593 110.713974 210.054214 46.0 211.057877 36.0 215.097046 21.0 217.072098 41.0 219.028641 133.0 220.029846 62.0 221.072601 20.0 223.025543 294.0 225.041794 20.0 227.058548 65.0 231.031906 43.0 231.138443 24.0 233.056503 20.0 234.913834 24.0 234.990143 22.0 236.034698 30.0 237.042908 290.0 238.03981 28.0 239.054352 46.0 242.01741 19.0 246.06514 21.0 251.058823 20.0 252.062012 20.0 254.075745 19.0 255.050064 1205.0 256.054962 102.999992 257.059906 39.0 261.03949 21.0 265.031158 26.0 276.062256 26.0 279.050079 45.0 281.255768 30.0 283.076569 20.0 291.154449 30.0 297.057281 185.0 298.022125 20.0 298.064667 20.0 307.058807 18.0 309.065186 32.0 311.135742 17.0 317.061005 18.0 318.996399 21.0 321.071716 20.0 323.676361 18.0 327.045959 18.0 328.022614 18.0 343.445312 18.0 344.063751 30.0 346.060974 18.0 349.014709 18.0 349.061554 20.0 356.981049 18.0 358.086578 18.0 361.055237 18.0 363.964264 22.0 371.925751 17.0 373.03537 21.0 376.847656 18.0 385.06546 18.0 386.077911 17.0 388.693634 20.0 399.079437 20.0 401.075775 20.0 403.027344 20.0 411.153107 17.0 417.104095 131.0 418.96701 18.0 420.110565 21.0 423.001404 30.999998 443.084259 18.0 444.087097 43.0 445.025513 19.0 445.081696 18.0 447.075562 21.0 449.043854 21.0 463.110687 43.0 464.064636 21.0 465.102295 18.0 465.170959 18.0 466.296478 24.0 END IONS BEGIN IONS SCANS=84 PEPMASS=194.04523 CHARGE=0 COLLISION_ENERGY=0.0 50.87006 18.0 50.964668 19.0 52.515686 23.0 56.00135 29.827425 56.011806 55.19009 56.737125 32.0 58.951298 25.0 60.474422 24.0 60.675713 18.0 61.5158 17.0 62.130295 31.0 63.727482 28.0 67.020607 17.0 67.288857 24.0 68.227875 85.0 72.224266 18.0 73.066681 22.0 74.008736 22.0 74.023865 1184.0 74.519073 18.0 75.022079 20.0 75.03038 62.839615 75.639328 23.0 75.979584 31.0 76.739441 31.0 77.038422 37.0 78.034256 36.0 79.530739 17.0 79.958221 29.0 80.431137 22.0 81.213684 18.0 81.816757 31.0 82.612526 18.0 83.007439 24.0 83.287575 34.0 84.144295 19.0 84.299103 18.0 84.818047 18.0 85.820709 23.0 93.034126 3385.897217 94.036118 81.0 94.514099 20.0 95.062805 18.0 97.453865 28.0 99.200958 20.0 99.864792 22.0 100.003242 3242.600586 101.007561 179.0 101.58284 18.0 102.337891 28.0 103.01152 23.0 105.033554 36.0 108.109818 23.0 109.06321 18.0 112.298218 25.0 115.016449 18.0 115.313728 17.0 116.570602 20.0 116.924828 22.0 117.008789 108.0 117.034752 18.0 118.0308 59.0 119.010513 24.0 119.037682 45.0 121.059044 18.0 122.692383 18.0 123.045502 57.0 123.978752 18.0 124.054398 40.0 125.050308 18.0 129.81604 20.0 129.953156 18.0 131.020172 23.0 131.037827 20.0 132.007278 26.0 132.046005 176.0 132.86705 18.0 132.989792 17.0 133.001526 36.0 135.009171 37.0 135.31636 24.0 136.990997 21.0 137.025024 18.0 137.999191 18.0 138.485397 17.0 138.853012 20.0 147.336227 18.0 148.03981 193.0 149.910095 20.0 150.055374 712.441223 151.059708 54.0 153.097321 18.0 157.420227 21.0 157.676498 19.0 158.976562 20.0 161.358139 17.0 161.950333 22.0 163.457565 31.0 165.872543 23.0 166.801773 18.0 167.030426 30.0 167.066605 18.0 174.68251 20.0 175.027359 46.0 176.035721 18.0 176.210953 21.0 176.896744 35.0 177.000519 17.0 179.013458 25.0 182.015442 21.0 183.006134 20.0 183.931259 22.0 185.756241 26.0 188.903564 26.0 193.020874 35.0 193.085342 78.0 194.045059 542.081848 194.076187 97.0 195.023987 113.0 195.044769 107.0 195.068756 38.0 196.055832 18.0 197.03923 18.0 197.060181 28.0 200.290359 23.0 204.044601 26.0 216.365768 39.0 219.563644 18.0 227.161148 18.0 228.086243 18.0 240.051743 18.0 249.048096 18.0 251.857849 29.000002 257.902161 25.0 261.691895 23.0 264.906189 17.0 277.848663 37.0 279.201996 19.0 281.770538 18.0 288.175903 20.0 290.710449 23.0 292.563171 25.0 295.069061 25.0 297.157684 17.0 299.370697 21.0 304.792572 20.0 306.475067 28.0 318.064392 20.0 320.04718 19.0 329.088989 18.0 336.014374 19.0 339.196167 23.0 361.183411 17.0 373.056702 21.0 379.525085 18.0 380.53009 25.0 385.638397 18.0 389.692688 23.0 407.117126 17.0 417.088135 18.0 417.71524 26.0 423.017181 77.0 445.21814 21.0 457.318604 18.0 468.696503 23.0 478.302765 28.000002 482.956268 22.0 501.134918 35.0 508.797089 18.0 509.705048 18.0 516.094482 25.0 540.134155 26.0 585.227905 19.0 601.432373 18.0 622.019714 48.0 630.467834 25.0 636.168091 18.0 645.218018 29.0 656.09491 23.0 656.177856 22.0 657.497437 24.0 658.500061 20.0 688.496826 20.0 713.186218 21.0 718.543335 25.0 729.560547 25.0 739.047241 28.0 740.87616 20.0 764.225403 19.0 810.307251 20.0 822.202515 20.0 852.481628 25.0 856.493652 20.0 862.087708 29.0 862.690308 18.0 909.290894 21.0 993.207031 22.0 1031.535645 21.0 1063.318604 20.0 1064.381958 18.0 1080.621094 22.0 1081.061523 20.0 1101.527954 22.0 1107.270752 31.0 1110.156616 33.0 1136.173096 28.0 1146.633057 22.0 1174.070068 22.0 1178.28064 19.0 1188.089233 43.0 END IONS BEGIN IONS SCANS=85 PEPMASS=191.07267 CHARGE=-1 COLLISION_ENERGY=0.0 50.108822 22.0 58.698616 29.0 58.995552 31.0 59.011768 110.0 60.016872 29.0 61.00993 58.0 61.895374 18.0 64.35276 35.0 66.310867 18.0 68.151955 25.0 71.012932 587.0 71.115631 23.0 71.345337 18.0 72.018211 23.0 73.016418 17.0 74.02327 258.0 79.952751 18.0 80.964699 89.0 81.031281 22.0 82.158607 18.0 82.595749 18.0 82.822121 18.0 84.005463 23.0 84.885216 32.0 85.009529 18.0 85.028664 65.0 87.006691 19.0 88.014435 28.0 89.021996 168.0 90.032234 24.0 93.034836 724.558838 94.036217 28.0 95.028152 24.0 96.5 23.0 97.033012 54.0 97.706726 21.0 98.030067 125.0 99.012421 20.0 99.022919 53.0 100.00351 531.0 100.046364 126.0 100.066185 26.0 100.684319 18.0 100.931564 107.0 101.04171 475.0 101.9338 22.0 102.928413 17.0 102.965904 18.0 103.052391 18.0 105.034714 18.0 107.658165 22.0 110.188927 22.0 111.007294 76.0 112.040245 25.0 114.326378 18.0 114.999138 17.0 115.020477 108.53933 115.037491 36.46067 115.735687 18.0 116.039909 1435.996216 116.923157 18.0 116.971756 18.0 117.036194 6809.96582 117.311806 18.0 117.428101 17.0 117.704803 18.0 117.866508 19.0 117.92543 18.0 118.041748 447.001709 118.981834 27.0 119.038536 77.0 119.112793 25.0 120.011444 18.0 122.116753 34.0 128.990768 31.0 129.016861 18.0 129.878891 18.0 130.021606 47.163227 131.014786 17.0 132.043518 25.0 132.997375 70.0 133.05043 18.0 135.045334 18.0 138.224014 19.0 144.013214 20.0 144.8871 29.0 145.019775 41.0 146.033783 19.0 146.06604 18.0 147.033813 35.0 147.889801 20.0 150.054718 109.0 152.856171 22.0 159.049393 31.0 160.056656 36.0 162.412201 18.0 166.263672 22.0 173.063187 96.0 174.862213 25.0 175.019104 44.0 176.551376 20.0 176.896667 18.0 177.00116 38.0 177.053864 19.0 180.238068 20.0 190.075409 1611.868774 191.02037 131.882111 191.038193 64.117897 191.072891 5472.0 192.001251 24.0 192.07872 478.0 192.385849 19.0 193.029282 40.0 193.054245 37.0 193.08432 162.0 194.044098 120.238358 194.075043 24.0 194.097107 18.0 195.027573 17.0 195.052307 17.0 195.076874 24.0 198.184082 22.0 208.909515 30.0 213.330521 25.000002 217.8685 18.0 222.298523 20.0 223.275208 20.0 233.826187 23.0 242.131912 20.0 252.369949 17.0 254.19194 23.0 261.516754 22.0 295.760468 22.0 307.493408 24.0 311.400696 21.0 321.564209 33.0 390.675201 17.0 401.714966 18.0 404.606232 18.0 412.055573 24.0 440.491516 18.0 486.987213 18.0 542.343323 22.0 575.629761 18.0 601.433411 18.0 689.47168 18.0 783.185669 19.0 865.205688 19.0 998.650391 22.0 END IONS BEGIN IONS SCANS=86 PEPMASS=189.05613 CHARGE=-1 COLLISION_ENERGY=0.0 50.209675 18.0 53.846085 21.0 55.16378 19.0 56.404854 24.0 56.965439 18.0 57.38562 37.0 59.015266 37.0 60.011688 17.0 61.010464 18.0 61.260036 22.0 67.176109 29.0 69.033417 18.0 69.373634 36.0 69.977715 30.0 71.012444 483.684998 71.465767 22.0 72.013634 37.0 77.272415 20.0 79.953163 18.0 80.559143 20.0 80.962135 17.0 82.135658 22.0 85.005867 17.0 87.007256 116.0 88.002632 18.0 89.023964 756.0 91.040199 18.0 94.111023 19.0 95.051323 20.0 95.716667 28.0 96.458321 19.0 96.520996 22.0 98.029488 18.0 99.021301 67.0 99.92688 48.0 99.998169 24.0 100.04734 83.0 100.93544 57.0 101.041 202.0 101.93309 18.0 101.952232 35.0 102.947922 26.0 104.104645 18.0 104.718323 34.0 105.014702 20.0 109.36335 19.0 110.590134 18.0 111.008278 163.0 113.021782 18.0 114.02095 223.0 115.021027 1893.070679 115.338608 26.0 116.039391 1083.69873 116.931519 20.0 117.036446 4835.0 117.367851 22.0 117.514992 22.0 117.593742 22.0 118.037148 221.0 123.54158 18.0 126.021034 18.0 126.85788 20.0 127.024811 22.0 129.012634 17.0 129.284134 21.0 129.937759 24.0 130.019485 22.0 131.162704 20.0 132.890839 18.0 135.497726 17.0 141.93103 18.0 142.034271 52.0 143.036163 287.0 143.09938 18.0 143.927292 40.0 145.028152 89.0 145.067947 18.0 145.931702 21.0 146.898819 17.0 147.007065 18.0 147.830109 19.0 149.045685 18.0 150.686432 22.0 159.380173 18.0 159.891815 18.0 160.048248 20.0 161.040009 58.0 162.892502 18.0 163.034454 49.0 168.490723 19.0 176.743729 18.0 179.751297 21.0 180.011978 18.0 188.036606 145.538376 188.060959 731.461609 188.088913 18.614296 188.505814 26.0 189.05658 3616.77002 190.072739 834.0 191.013199 17.0 191.072235 3017.857422 191.309448 22.0 192.076935 316.0 192.995712 18.0 193.499771 18.0 204.676208 22.0 207.528793 21.0 209.062119 26.0 214.606033 19.0 219.320801 23.0 224.029587 18.0 231.066025 18.0 231.857101 18.0 233.967468 24.0 241.889847 19.0 249.28064 29.0 249.72522 28.0 253.002045 31.0 267.093323 20.0 267.809235 18.0 275.710815 26.999998 294.792389 20.0 301.468567 17.0 308.401459 18.0 328.493927 18.0 337.733032 20.0 356.387787 24.0 361.364502 18.0 373.045135 19.0 374.999695 20.0 406.169037 18.0 423.539764 29.0 446.413544 20.0 451.288727 20.0 472.612579 23.0 487.533905 18.0 550.605042 29.0 563.494324 18.0 634.809265 18.0 668.644348 20.0 687.55896 34.0 717.553955 18.0 771.373474 20.0 854.654907 18.0 908.138245 18.0 917.602234 17.0 941.212097 18.0 1112.44104 18.0 1115.636719 20.0 1160.691162 18.0 1162.450928 25.0 1176.612549 19.0 1196.568359 24.0 END IONS BEGIN IONS SCANS=87 PEPMASS=205.0496 CHARGE=-1 COLLISION_ENERGY=0.0 52.242748 20.0 54.033623 18.0 55.573555 25.0 59.375298 40.0 59.415936 22.0 59.502033 18.0 60.077152 19.0 64.42337 21.0 64.487755 18.0 65.266838 20.0 66.013519 24.0 67.018112 19.0 67.970055 35.0 71.901726 87.0 73.010384 19.0 76.035431 37.0 76.896484 18.0 78.147186 20.0 79.215942 21.0 80.960556 18.0 81.268112 18.0 85.47229 20.0 85.950882 23.0 86.011055 181.0 86.289703 28.0 87.006157 616.728455 87.041702 18.0 88.008247 17.0 88.769745 27.0 88.9571 18.0 89.001411 37.0 89.728348 18.0 99.925896 21.0 100.209427 20.0 100.559937 26.0 105.006477 21.0 110.028091 22.0 110.06134 18.0 110.886406 20.0 112.006462 622.0 112.146751 18.0 113.002441 1145.0 113.571739 18.0 114.001877 56.0 115.000481 111.491859 115.0158 51.508141 116.731697 28.0 116.927284 160.0 117.032173 78.0 117.073723 20.0 117.927971 18.0 119.92424 18.0 120.475441 18.0 122.039749 26.0 128.088287 26.0 129.01857 20.0 129.132248 17.0 130.01683 3641.646973 130.041412 18.173784 130.882782 21.0 130.932678 38.0 131.01326 7013.354004 131.045609 18.0 131.251465 18.0 132.019104 325.0 132.367554 18.0 132.516647 18.0 132.880844 18.0 133.006302 71.872055 133.02002 60.127945 133.212067 27.0 133.248459 19.0 133.66774 23.0 134.098328 20.0 134.818481 25.0 135.482178 26.0 135.794952 18.0 136.09285 17.0 136.99028 19.0 140.335754 18.0 140.927216 19.0 141.920746 19.0 141.961761 22.0 142.923355 327.0 143.444153 18.0 143.929047 101.0 143.984344 20.0 144.011627 35.0 147.195816 24.0 152.818054 18.0 155.581375 32.0 155.64476 18.0 157.013718 17.0 157.4617 20.0 157.821564 17.0 158.012024 5217.490234 158.036713 42.11834 158.156052 18.0 158.82959 18.0 158.936142 18.0 158.976578 23.0 159.008469 8762.90625 159.576569 18.0 159.740326 18.0 159.935211 18.0 160.015427 294.668793 160.936935 161.0 161.020004 335.0 161.097641 20.0 161.688797 24.0 162.052338 18.0 162.573441 20.0 162.973328 18.0 163.031708 49.0 163.074493 17.0 164.64032 20.0 164.983841 20.0 166.027832 17.0 172.624298 29.0 173.640274 23.0 174.972748 18.0 177.027695 18.0 179.03363 36.0 180.921112 18.0 184.339447 22.0 186.042801 18.0 186.517059 18.0 187.039017 115.0 188.486771 17.0 188.987244 18.0 189.024429 18.0 189.987427 20.0 192.007965 21.0 193.049805 20.0 196.338425 24.0 196.417328 18.0 196.744751 29.0 201.060349 18.0 202.083374 18.0 203.943375 17.0 204.017532 526.0 204.051315 592.0 204.079132 20.0 204.942947 54.0 205.014511 667.326233 205.050964 1224.673706 206.049652 243.0 207.019089 135.700699 207.047958 85.560204 207.987442 18.0 208.015381 17.0 209.044556 40.0 211.58754 18.0 212.434128 18.0 215.686722 20.0 216.595337 18.0 221.055695 27.0 223.35582 22.0 227.441589 22.0 232.692825 17.0 237.117279 17.0 238.490646 19.0 244.368423 18.0 249.340607 18.0 251.605606 17.0 261.063202 21.0 266.540771 24.0 273.078979 18.0 276.0979 22.0 280.404022 18.0 284.67514 18.0 296.643005 34.0 308.711823 20.0 317.479492 18.0 326.981476 19.0 371.082123 18.0 381.685852 24.0 387.577728 32.0 402.641998 18.0 446.038177 18.0 447.316284 18.0 452.956726 18.0 474.847839 27.0 481.799866 52.0 522.892456 23.0 538.271545 19.0 545.373535 24.0 586.927734 18.0 601.102417 20.0 659.217163 22.0 770.04425 18.0 804.575745 36.0 1111.52771 20.0 1113.290771 35.0 1147.2323 18.0 1150.589233 42.0 1151.340942 17.0 END IONS BEGIN IONS SCANS=88 PEPMASS=478.29336 CHARGE=-1 COLLISION_ENERGY=0.0 51.029808 36.0 52.265484 20.0 52.921539 18.0 58.086197 33.0 59.956566 18.0 60.373775 18.0 64.791351 17.0 69.078842 18.0 70.981285 18.0 72.823112 18.0 78.052322 22.0 78.197296 18.0 84.691719 18.0 87.066994 22.0 87.252747 47.0 89.325089 23.0 90.139259 21.0 92.337471 22.0 92.734665 21.0 92.879883 39.0 93.605301 20.0 94.707314 24.0 96.742691 19.0 96.960846 35.0 97.01107 18.0 97.333862 18.0 98.356728 24.0 100.620117 30.0 102.73111 18.0 102.896927 19.0 103.141151 24.0 105.911438 19.0 106.244797 27.0 107.451866 32.0 107.6203 19.0 109.543114 31.0 114.024704 25.0 115.041252 23.0 115.755379 18.0 116.936691 25.0 117.037201 19.0 119.513596 23.0 126.285698 29.0 127.04879 20.0 129.801437 31.0 130.989288 22.0 133.028259 18.0 138.42009 23.0 140.011734 129.0 141.157761 17.0 141.900345 18.0 142.015167 20.0 143.037277 48.0 143.52887 18.0 148.845078 20.0 150.673904 28.0 151.588135 18.0 152.066666 18.0 152.995316 20.0 155.031662 19.0 156.026321 18.0 157.924057 24.0 162.163834 17.0 173.025192 36.0 174.02417 25.0 176.726273 18.0 177.036514 19.0 186.10463 24.0 187.042511 18.0 194.037369 17.0 195.035416 32.0 196.0401 199.0 197.029999 26.0 202.210464 18.0 202.684982 18.0 205.011246 18.0 205.053711 20.0 207.821686 34.0 211.311371 18.0 213.037277 19.0 214.049927 330.0 214.438889 23.0 215.062576 81.0 215.301697 18.0 217.674057 20.0 218.035172 26.0 228.981659 29.0 231.069138 19.0 232.931259 18.0 232.990952 21.0 233.049377 18.0 237.920883 23.0 242.040802 22.0 243.858765 25.0 245.039291 18.0 245.927475 18.0 253.676453 24.0 263.411011 18.0 265.147736 42.0 276.185455 21.0 277.102142 18.0 277.157501 17.0 277.99469 18.0 279.233582 77.0 279.291992 20.0 280.235687 94.167381 280.254425 47.771626 281.053894 20.0 281.248169 14647.868164 281.292328 24.0 282.251862 3330.0 282.711823 24.0 282.972412 29.0 283.253845 378.0 283.39621 18.0 285.074158 18.0 285.210541 18.0 286.075104 20.0 286.326263 22.0 289.049164 18.0 290.012268 18.0 290.156006 20.0 293.073334 18.0 299.675201 17.0 302.507538 18.0 303.997284 18.0 305.56369 28.0 310.958801 41.0 317.239136 17.0 325.190613 62.0 329.087463 18.0 335.912933 20.0 337.068634 18.0 340.080231 20.0 346.046997 18.0 347.047729 23.0 351.650085 20.0 352.511261 17.0 354.435974 26.0 358.020721 20.0 358.950714 28.0 359.065369 17.0 360.945343 18.0 361.017639 24.0 361.069122 41.0 361.989716 20.0 364.042694 22.0 379.027924 24.0 381.375549 24.0 382.059845 18.0 386.119934 48.0 387.041077 21.0 387.09845 46.0 390.838562 18.0 397.024658 20.0 431.114044 17.0 435.098389 41.0 443.936676 20.0 444.045319 17.0 459.109009 20.0 459.459015 22.0 460.07016 17.0 461.032776 46.0 463.084259 20.0 464.005249 17.0 469.248657 24.0 475.484497 18.0 477.017578 17.0 478.136658 18.0 478.293579 2120.0 478.606323 24.0 479.298889 521.0 479.346985 25.757109 480.07312 19.0 480.308899 107.0 481.228973 31.0 482.081757 23.0 483.105255 21.0 484.072937 18.0 488.113739 34.0 491.287567 18.0 500.128998 18.0 522.399719 18.0 547.132019 25.0 577.328918 18.0 603.588562 17.0 626.126038 28.0 627.445496 20.0 628.326538 22.0 643.19165 35.0 659.514587 19.0 664.114075 19.0 688.478394 41.0 688.550659 17.0 690.486145 27.0 693.506287 18.0 695.30542 18.0 704.554077 18.0 728.595215 18.0 745.77594 23.0 755.16217 18.0 773.523376 26.0 825.536011 20.0 834.097229 18.0 846.516541 19.0 847.076477 18.0 850.319031 22.0 868.096924 21.0 877.476013 22.0 887.62207 21.0 895.117676 18.0 900.013428 20.0 918.138 19.0 931.220398 19.0 931.411133 21.0 942.637512 19.0 943.505676 28.000002 952.349731 32.0 972.544922 18.0 982.345642 18.0 989.84967 18.0 1006.881042 22.0 1019.992859 41.0 1045.286499 32.0 1050.725464 18.0 1054.504395 18.0 1057.500854 36.0 1073.621948 21.0 1075.915527 18.0 1081.190308 36.0 1090.69519 20.0 1098.567383 17.0 1127.545044 26.0 1151.279907 20.0 1161.946411 20.0 1167.653564 20.0 1192.541504 20.0 END IONS BEGIN IONS SCANS=89 PEPMASS=245.04648 CHARGE=-1 COLLISION_ENERGY=0.0 57.035873 17.0 60.014061 19.0 61.008545 17.0 61.522373 47.0 71.012741 209.0 72.637497 18.0 72.99379 80.0 78.958443 18.0 83.01104 18.0 84.015198 267.0 84.044487 23.0 85.010437 635.099426 86.005264 41.0 87.006607 228.0 89.026772 67.0 91.028709 19.0 91.037758 18.0 97.009201 19.0 98.955467 18.0 99.00515 18.0 99.924545 42.0 100.00528 20.0 100.933548 39.0 101.005058 55.000004 104.035484 29.0 105.014725 41.0 109.026054 22.0 110.684181 19.0 111.009666 18.0 111.033257 17.0 111.956764 20.0 112.005981 78.0 112.949471 22.0 113.003036 132.0 114.023331 1661.0 115.02047 8083.648926 115.576576 18.0 116.023209 516.184387 116.999229 21.0 117.026482 57.0 120.799759 20.0 124.750259 19.0 126.026932 21.0 127.019798 38.0 127.952072 74.0 128.021866 18.0 129.017609 112.178734 129.030731 92.821266 130.016388 510.0 131.01329 764.0 131.092194 29.0 132.009216 19.0 133.029968 20.0 139.044754 34.0 141.930374 20.0 143.067093 20.0 143.922211 33.0 144.016281 26.0 145.012497 16.140945 145.031158 113.859055 146.034149 24.0 147.028 76.0 148.029022 40.0 148.042053 22.0 148.897125 18.0 149.025574 71.0 150.69931 20.0 152.979645 20.0 153.942978 18.0 154.022141 74.0 155.016464 261.0 155.952606 198.0 156.014771 342.502197 156.034851 58.497795 156.541962 38.0 156.952316 140.0 157.01181 372.74411 157.031967 113.25589 157.950409 28.0 158.012024 77.43148 158.050018 59.0 159.023895 34.153637 159.046677 278.846375 159.943619 25.0 159.959412 18.0 170.024475 18.0 170.615128 18.0 171.049164 37.0 171.947754 18.0 172.02803 306.0 172.999664 18.0 173.026062 1144.0 173.060638 22.0 174.025284 435.0 174.145142 36.0 174.427658 19.0 174.99408 18.0 175.022751 258.447205 176.029053 20.0 180.92453 23.0 183.031662 33.0 183.94548 21.0 184.131653 25.0 184.996536 22.0 185.061218 18.0 185.366638 19.0 186.048813 17.0 187.040344 229.0 188.047226 17.0 188.065536 48.0 198.01236 18.0 198.953354 18.0 199.023285 223.000015 199.06134 20.0 200.02507 265.0 201.021713 686.10498 201.940674 27.0 202.018646 1079.966553 202.038742 1088.545288 203.033463 1587.963745 204.034409 143.0 205.94426 36.0 208.737686 24.0 216.037796 23.0 217.039886 129.0 218.035889 90.0 219.02861 220.0 227.050446 21.0 228.068069 22.0 229.047577 26.0 230.053207 17.0 231.043869 18.0 244.049988 455.798096 244.090179 59.0 245.046219 2963.70874 245.103882 23.0 245.140518 18.0 245.908951 17.0 245.994217 24.940012 246.050919 564.939636 246.066681 300.018524 247.043076 490.350769 247.065338 526.962708 247.108047 42.0 248.055557 38.0 248.581955 23.0 249.038284 44.0 284.125214 18.0 314.477417 18.0 321.934937 18.0 327.980835 23.0 333.038818 24.0 341.10968 24.0 410.656464 22.0 484.399902 22.0 485.365723 19.0 513.215332 20.0 528.159424 19.0 587.239075 20.0 610.413025 26.0 638.459229 20.0 1091.453491 18.0 END IONS BEGIN IONS SCANS=90 PEPMASS=217.03283 CHARGE=-1 COLLISION_ENERGY=0.0 70.030663 21.0 74.02256 55.0 83.013268 53.0 85.009766 119.0 85.944885 20.0 86.009644 75.0 86.060913 48.0 87.005333 199.0 87.048744 27.0 99.928375 25.0 100.010353 17.0 100.039665 18.0 100.931526 20.0 101.004906 95.0 102.003822 20.0 102.055389 21.0 102.932831 17.0 102.995377 50.141148 103.006592 20.858852 104.033859 20.0 110.028564 39.0 111.007652 297.0 111.026779 135.0 112.00444 41.0 112.023804 18.0 112.044151 22.0 113.002647 20.0 113.028442 20.0 114.027786 51.0 114.325233 21.0 115.001106 18.0 115.019081 196.0 116.033356 40.0 126.931679 22.0 127.049049 17.0 131.011658 44.0 131.066025 18.0 137.056839 18.0 138.017487 19.0 138.090576 20.0 142.032776 20.0 154.020859 42.0 155.014633 287.0 155.039215 17.0 156.017288 41.0 157.011353 36.152008 157.026474 20.0 158.030838 18.0 158.047607 25.0 158.064713 22.0 159.024673 36.0 170.080765 20.0 171.002869 20.0 171.468155 26.0 172.005066 17.0 172.02919 96.0 173.028046 442.0 173.240265 17.0 174.005753 35.393154 174.024826 103.60685 175.022263 72.0 176.044708 19.0 177.053604 18.0 184.024887 18.0 188.092575 38.0 189.014404 24.0 189.040588 36.0 189.621796 24.0 190.029068 35.0 190.060303 19.0 198.019699 18.0 198.954315 18.0 199.020126 84.0 201.016174 42.0 201.034973 66.0 201.853836 18.0 202.034424 55.0 203.036575 68.0 204.032913 18.0 210.445007 18.0 216.037201 364.0 216.084427 20.0 216.16156 24.0 216.400345 18.0 216.554947 19.0 216.960022 17.0 217.005051 28.019005 217.032516 1149.964111 217.074478 79.0 218.032043 611.0 218.611237 19.0 219.027679 654.0 219.068008 18.0 219.111404 20.0 220.028702 81.0 240.988861 18.0 327.103851 18.0 361.316193 17.0 382.919922 20.0 413.856537 20.0 486.355164 18.0 1039.805786 18.0 END IONS BEGIN IONS SCANS=91 PEPMASS=261.04063 CHARGE=-1 COLLISION_ENERGY=0.0 61.011547 24.0 63.096619 17.0 75.39666 18.0 78.578926 17.0 84.015442 20.0 85.010651 155.0 85.030457 103.0 85.731949 19.0 86.009773 52.0 87.005508 61.0 88.89576 33.0 89.003601 18.0 89.023987 226.0 91.041557 28.0 91.052437 23.0 95.011902 17.0 95.048424 20.0 96.96064 38.0 99.006424 44.0 99.042946 18.0 99.925865 22.0 100.004295 67.0 101.00721 168.109955 101.023308 20.0 104.017883 40.811024 104.030258 24.0 105.017128 18.0 109.06665 28.0 111.008095 724.309631 111.026138 86.690338 112.008102 76.0 112.986656 20.0 113.000946 24.0 114.021873 202.0 115.020538 683.0 115.332558 21.0 116.042007 22.0 116.924904 18.0 117.030502 18.0 118.997803 25.0 123.078323 18.0 128.018204 40.0 129.01889 375.0 129.954071 20.0 130.016373 1279.0 130.986221 18.0 131.012665 1475.861816 131.035706 21.0 131.148636 17.0 132.011047 142.0 133.009705 45.0 133.029022 18.0 137.063034 41.0 139.018265 18.0 140.0298 19.0 141.93483 18.0 142.030792 23.0 142.924194 45.0 143.905472 48.0 143.923141 46.0 143.959518 22.0 144.013443 96.0 144.034164 77.0 145.011459 159.645584 145.028305 177.799072 145.059494 18.0 145.930908 18.0 146.03363 50.0 147.034897 22.0 147.044235 51.398151 148.027664 92.0 149.034592 22.0 149.057327 20.0 151.077347 44.0 152.7052 18.0 154.016602 22.0 155.017868 254.0 155.065659 17.0 156.031281 25.0 157.017517 38.0 157.961945 18.0 159.022446 20.0 159.893036 18.0 161.046951 31.0 162.892624 34.0 163.98439 19.0 165.062286 18.0 171.024292 18.0 172.025497 22.0 173.025803 322.0 173.931335 17.0 174.032272 75.0 174.963699 28.0 175.018982 56.0 175.207428 20.0 179.066513 22.0 186.039871 19.0 186.8806 17.0 187.037247 78.0 190.073212 22.0 190.882309 19.0 198.026154 295.56134 198.948013 18.0 199.021698 683.181458 199.073624 24.0 200.030228 88.0 201.029633 63.0 201.062912 20.0 202.051163 37.0 212.35849 21.0 215.031647 80.604088 215.054352 220.39592 215.926865 18.0 216.039017 229.0 216.06459 38.0 216.958786 38.0 217.032455 858.021423 217.061661 51.604744 218.029221 362.0 218.154114 28.0 218.303375 18.0 218.916412 18.0 219.026886 434.0 220.030182 45.0 220.094345 18.0 221.039322 30.0 233.046036 33.0 234.925323 56.076187 241.373245 18.0 242.028305 106.0 243.031677 217.0 243.085083 48.661266 244.02655 144.7948 244.049957 71.0 245.042969 71.0 246.025162 17.0 260.043518 461.0 260.082397 20.0 260.158813 19.0 260.815186 23.0 261.039032 1094.986328 261.226624 18.0 262.036743 203.0 262.078186 18.0 263.035797 157.0 263.084259 41.0 264.033844 25.0 264.127167 20.0 264.154266 19.0 265.147797 40.0 274.275208 19.0 325.222809 18.0 342.191315 19.0 517.628052 18.0 747.079773 19.0 END IONS BEGIN IONS SCANS=92 PEPMASS=173.02577 CHARGE=-1 COLLISION_ENERGY=0.0 52.970215 18.0 56.463135 17.0 58.993259 34.0 61.008545 17.0 62.371025 18.0 64.141472 25.0 64.75032 18.0 65.996719 22.0 66.629196 65.0 71.015015 24.0 75.132576 18.0 78.65181 20.0 83.930115 18.0 84.012833 422.0 84.056335 20.0 84.556946 18.0 84.92968 20.0 85.009293 1982.596558 85.257637 18.0 85.498337 20.0 86.278107 18.0 86.516891 30.0 87.007492 38.0 87.860519 22.0 88.266144 23.0 89.018349 21.0 99.007294 26.0 99.02018 34.859207 100.010323 33.0 100.176994 18.0 100.989143 19.654751 101.004311 178.345245 102.009186 46.0 103.688095 19.0 107.606674 25.0 107.75322 26.0 110.452827 20.0 112.99971 19.0 113.060188 19.0 113.630165 29.0 113.738808 19.0 113.999863 20.0 114.022438 136.0 115.0205 523.0 115.039772 24.0 116.038322 25.0 116.556404 19.0 117.015915 50.0 117.032234 26.0 117.095764 20.0 126.021179 18.0 127.023689 44.0 127.954933 29.999998 129.022568 20.0 129.037857 20.0 129.934799 21.0 135.213425 20.0 140.705399 18.0 140.865143 22.0 142.648743 18.0 143.018402 27.0 144.03717 90.0 144.714661 19.0 145.030548 395.0 146.035385 18.0 147.02626 18.0 148.585251 25.0 149.78299 20.0 150.700943 37.0 154.015182 21.0 156.420868 18.0 158.395355 18.0 170.216202 18.0 172.028748 311.0 172.105133 20.0 173.025742 2428.238525 174.003952 20.0 174.027466 129.0 174.082413 18.0 174.467117 27.0 175.01886 85.843559 175.034637 151.156433 175.057861 18.0 175.103485 28.0 175.4944 22.0 177.606155 21.0 180.408356 18.0 180.496536 20.0 184.07576 22.0 185.660339 21.0 186.72261 19.0 187.875 22.0 190.575653 22.0 191.454788 23.0 194.596451 21.0 198.752029 30.0 202.570786 18.0 207.367584 18.0 213.067612 31.0 221.407516 32.0 229.060562 71.0 239.592255 32.0 243.747589 20.0 243.829941 18.0 245.890152 22.0 263.97049 27.0 274.311646 18.0 298.750366 18.0 314.638153 27.0 345.554077 18.0 401.707428 39.0 402.345032 28.0 430.576172 18.0 484.964874 18.0 506.403473 21.0 515.445496 19.0 531.799866 20.0 578.138489 17.0 648.71344 22.0 864.103882 40.0 945.105469 29.0 1137.061646 20.0 END IONS BEGIN IONS SCANS=93 PEPMASS=205.01392 CHARGE=-1 COLLISION_ENERGY=0.0 50.128288 17.0 50.76152 24.0 51.039719 17.0 51.286518 19.0 52.78944 19.0 54.673946 19.0 56.05965 19.0 58.924625 18.0 58.996056 17.0 61.21986 18.0 62.024845 41.0 62.102566 17.0 62.960499 42.0 63.696476 27.0 64.101463 22.0 65.060013 28.0 67.287277 25.0 71.987755 20.0 72.047203 30.0 73.506706 18.0 73.946754 29.0 76.048561 18.0 76.440598 32.0 81.242149 21.0 82.319695 18.0 82.877174 18.0 86.009483 225.0 87.006477 406.0 87.711617 40.0 88.004555 19.0 88.596588 18.0 89.00531 70.0 89.118179 17.0 89.439392 22.0 90.027802 20.0 99.924545 18.0 105.018158 22.0 105.803734 26.0 106.203362 20.0 112.005508 501.0 113.003242 1171.0 113.047401 18.0 114.002586 75.255013 114.022644 39.744984 115.0019 140.0 116.035179 20.0 116.926804 141.0 117.042229 71.0 117.92746 18.0 118.929558 17.0 119.034554 20.0 119.232704 26.0 126.032761 25.0 128.494812 20.0 129.019958 18.0 129.130127 18.0 129.489578 30.0 130.01619 4039.0 130.371597 20.0 130.38707 18.0 131.012939 6515.595215 131.073334 22.0 131.261353 29.0 131.32338 18.0 131.518112 18.0 131.731247 18.0 132.011215 93.0 132.022629 89.0 132.334961 18.0 132.361282 24.0 133.01268 171.0 133.367584 17.0 135.004898 18.0 136.504074 32.0 142.924255 202.0 143.029709 27.0 143.046524 21.0 143.518646 18.0 143.925049 18.0 144.928268 22.0 145.004868 20.0 148.241638 24.0 149.025299 31.0 151.506958 18.0 152.036591 20.0 152.410721 30.0 153.092941 30.0 155.153015 21.0 155.980347 25.0 157.707306 17.0 158.0112 5808.786621 158.034698 31.966539 158.551025 20.0 158.929916 17.0 159.00856 9693.898438 159.04567 19.0 159.285004 28.0 159.491852 28.0 160.021103 425.0 160.12088 37.0 160.935379 182.429901 160.961182 42.570095 161.015182 363.0 162.02037 23.0 162.065063 17.0 162.230865 19.0 162.890976 17.0 162.994156 17.0 163.035385 48.0 163.141251 18.0 164.89946 18.0 165.033081 22.0 169.095596 22.0 170.353104 18.0 172.995102 17.0 173.707428 22.0 177.018906 38.0 179.026749 20.0 186.042175 26.0 186.938705 19.0 187.040695 62.0 188.603348 18.0 189.034851 26.0 190.014908 18.0 190.88179 21.0 204.017273 260.246826 204.053482 739.952637 205.013489 852.0 205.050674 858.321289 205.552979 36.0 206.012283 94.0 206.051453 104.0 207.01619 60.561855 207.035385 103.438148 207.060394 43.0 207.105865 20.0 208.014389 27.0 208.811096 37.0 209.447205 18.0 212.580185 27.0 218.378265 18.0 220.749954 18.0 225.061661 23.0 227.497833 17.0 229.450851 17.0 229.59996 19.0 236.089371 17.0 248.621643 27.0 260.576935 30.0 268.351959 18.0 273.293671 18.0 286.42218 18.0 287.908539 27.0 290.813995 25.0 303.378754 19.0 316.177399 18.0 316.496368 22.0 317.495972 34.0 343.063263 21.0 345.996979 28.0 351.764801 17.0 372.155365 18.0 387.069092 20.0 393.814728 19.0 397.232666 34.0 404.744812 67.0 570.23114 18.0 630.226196 23.0 716.217712 18.0 784.401001 23.0 858.398376 20.0 1001.270142 20.0 1041.415527 18.0 1045.667358 20.0 1057.260498 17.0 1061.369507 18.0 1103.465698 20.0 1135.202271 17.0 1138.57373 41.0 1140.326294 18.0 END IONS BEGIN IONS SCANS=94 PEPMASS=246.04376 CHARGE=-1 COLLISION_ENERGY=0.0 55.719505 33.0 57.868462 18.0 58.835651 18.0 65.629906 17.0 71.016495 61.207134 72.988838 23.0 72.996521 30.0 73.447151 24.0 74.018745 20.0 75.57135 19.0 76.013626 55.0 80.606613 18.0 80.64061 24.0 85.009163 47.0 85.024979 17.0 86.009651 114.0 87.004837 218.0 88.025276 18.0 89.012779 22.0 96.010239 18.0 99.024551 22.0 99.925896 20.0 100.981491 18.0 102.060204 29.0 104.020599 17.0 110.059464 19.0 111.00679 19.0 112.00544 193.0 112.981552 19.0 113.002975 157.0 113.391151 20.0 114.023071 1192.0 115.020035 6884.894531 115.1026 18.0 115.943336 18.0 116.023056 319.0 116.058861 17.0 116.931206 50.0 117.024429 92.0 118.003586 22.0 119.187416 20.0 127.952599 18.0 129.019287 199.0 130.015869 578.273804 131.013611 991.0 131.090591 18.0 132.013229 44.0 133.006638 51.0 135.464493 20.0 135.971954 27.0 140.038452 45.0 141.769409 19.0 142.923615 25.0 143.034836 20.0 144.017776 43.0 145.016571 18.0 145.031082 62.882427 145.149765 24.0 147.028473 18.0 148.024292 93.56633 148.041916 21.43367 149.024063 78.0 152.937103 30.0 154.021072 24.0 155.017151 305.0 155.677322 33.0 155.948837 41.0 156.013992 386.0 156.955215 21.0 157.008759 346.0 157.030624 112.0 157.191345 18.0 157.952682 41.0 158.000427 20.0 158.016693 38.0 158.048477 20.0 158.8909 18.0 159.010025 127.115204 159.047989 84.0 161.990234 18.0 170.904877 20.0 171.953751 18.0 172.033646 81.0 173.027161 626.0 173.06839 22.0 173.451019 28.0 173.466675 17.0 173.724655 18.0 174.024811 931.0 175.019196 583.0 175.399033 20.0 179.914612 59.0 180.463028 17.0 184.023468 39.0 185.005966 33.0 185.022385 54.0 186.041168 42.0 187.041382 48.365944 187.062592 17.0 188.439667 20.0 188.986404 18.0 189.055313 35.0 192.662521 18.0 196.135651 20.0 199.019333 73.0 200.023575 231.0 200.062775 22.0 200.954742 44.0 201.022232 384.825684 201.040451 172.174316 201.276367 20.0 202.018753 1188.312988 202.036041 1236.800537 202.290466 19.0 203.017487 886.452332 203.033737 1570.890625 203.381241 18.0 203.992615 27.0 204.035461 75.0 204.873917 31.0 205.998917 30.0 206.681061 23.0 215.023483 21.0 215.043289 21.0 216.123749 19.0 217.035538 99.0 218.031006 302.0 218.098328 24.0 219.027649 156.0 219.066788 18.0 220.896713 21.0 226.788727 26.0 227.713608 20.0 229.018555 40.0 229.094894 24.0 230.033173 18.0 231.041718 36.0 234.039383 18.0 235.171509 24.0 236.829025 22.0 242.226135 22.0 245.046921 910.590881 246.041855 581.721619 246.756516 22.0 247.030792 412.0 247.061981 124.0 247.101746 18.0 247.865936 17.0 248.051239 87.0 248.133514 18.0 248.362289 20.0 249.026978 18.0 249.057602 18.0 249.084015 18.0 259.2323 21.0 272.041718 22.0 272.456329 18.0 293.75885 18.0 411.512939 26.0 432.693298 18.0 438.692871 18.0 440.310608 21.0 685.390137 17.0 1005.310364 18.0 END IONS BEGIN IONS SCANS=95 PEPMASS=203.03319 CHARGE=-1 COLLISION_ENERGY=0.0 50.330872 31.0 51.652142 19.0 52.49897 23.0 53.426582 29.0 53.89138 18.0 55.427994 27.0 55.714298 18.0 57.834812 22.0 61.629841 20.0 61.769867 17.0 62.708458 22.0 65.883064 20.0 66.305054 30.0 66.385941 18.0 68.051956 20.0 70.919579 18.0 71.32724 22.0 73.032509 19.0 73.654831 34.0 75.438683 18.0 77.984077 21.0 80.475121 23.0 82.690598 18.0 82.745628 19.0 84.013962 18.0 84.449493 18.0 84.464523 19.0 84.726883 21.0 85.014412 81.0 86.0103 469.0 87.005424 780.0 87.383614 20.0 88.00351 72.0 89.002167 95.007034 89.942719 18.0 90.025436 31.0 90.31179 22.0 91.031013 22.0 91.387474 18.0 93.205437 22.0 96.285934 23.0 96.742531 17.0 98.058136 18.0 99.28492 20.0 99.40062 18.0 99.9916 20.0 100.204231 17.0 100.688087 20.0 101.856339 19.0 104.020309 98.0 105.01664 24.0 105.322334 21.0 105.428978 18.0 106.364456 21.0 106.971878 25.0 107.675415 23.0 108.521248 17.0 109.594551 17.0 111.011368 79.0 111.031693 20.0 111.043304 18.0 111.082191 18.0 111.939987 17.0 112.00647 864.0 113.002182 830.0 113.02668 36.0 113.941658 44.0 114.000229 29.0 114.023499 141.0 114.048897 30.0 114.088303 17.0 114.347801 19.0 115.000343 99.535553 115.020935 1046.021606 116.021011 44.0 116.069733 18.0 116.095573 18.0 116.924629 108.0 117.589302 19.0 119.009804 21.0 120.226402 23.0 121.537376 18.0 122.458221 20.0 124.714546 23.0 125.373001 18.0 127.931145 17.0 128.022873 74.0 128.960678 17.0 129.020493 981.0 129.954651 25.0 130.016602 3880.079346 130.260101 18.0 130.358749 18.0 130.429199 18.0 131.013199 5730.705566 131.151993 22.0 131.228378 18.0 131.243393 18.0 131.564178 17.0 131.661316 17.0 131.996841 26.840946 132.01004 50.16547 133.007935 70.441437 133.019302 21.316669 134.947266 18.0 136.380325 21.0 137.529678 20.0 140.924698 18.0 141.003128 25.0 141.915955 17.0 141.930573 46.0 142.083527 24.0 142.924408 437.0 143.038086 21.0 143.051865 18.0 143.084061 21.0 143.111328 20.0 143.23349 20.0 145.031952 24.0 145.050156 18.0 146.426407 19.0 147.633896 21.0 148.623779 30.0 148.991394 20.0 149.023743 52.0 150.223221 26.0 154.513763 17.0 155.753036 18.0 155.957001 34.0 156.014618 92.0 156.488831 17.0 156.793091 25.0 157.015762 1299.301514 158.011841 5554.179199 158.80748 18.0 159.008469 7613.582031 159.054642 19.0 159.508469 18.0 159.94017 36.0 160.009216 279.118073 160.030899 165.586029 160.349945 20.0 160.366501 19.0 160.725372 20.0 160.936356 180.0 161.022202 140.0 161.067047 19.0 161.937302 37.0 162.060364 17.0 162.344864 22.0 162.896317 21.0 163.517914 18.0 163.682205 24.0 167.2005 19.0 167.847443 31.0 168.410172 18.0 174.019623 26.0 177.02153 71.0 177.112305 19.0 181.545731 18.0 184.027512 204.0 184.162048 23.0 185.026581 410.435333 185.996353 27.0 186.021103 66.0 186.234863 20.0 186.995026 21.0 188.024033 18.0 192.125427 18.0 196.195877 19.0 198.899048 18.0 199.173889 25.000002 200.029251 25.0 202.002411 22.0 202.038132 3778.337402 202.685883 18.0 202.99733 26.0 203.03421 5801.758789 203.088318 18.0 203.234741 22.0 204.018631 457.07843 204.039505 293.470581 204.42749 18.0 204.943619 18.0 205.015045 473.950409 205.030014 383.973206 205.894104 28.0 205.938019 19.0 206.028793 47.0 206.055405 33.0 207.853485 17.0 207.963959 18.0 208.008179 22.0 222.362457 20.0 232.989212 21.0 233.931274 18.0 248.235718 18.0 249.221115 21.0 261.104431 18.0 261.640381 20.0 264.131805 23.0 267.305603 42.0 281.815216 20.0 285.000916 17.0 290.042999 18.0 296.416718 22.0 298.153625 22.0 300.043945 20.0 307.047668 18.0 308.375702 44.0 317.785492 18.0 322.064087 21.0 325.189453 51.0 337.129425 17.0 338.165558 43.0 347.029419 18.0 356.044312 18.0 357.088959 18.0 358.038055 21.0 359.042633 18.0 363.29306 19.0 364.292603 19.0 371.981659 18.0 375.407837 20.0 387.542328 22.0 391.457336 17.0 401.044128 19.0 414.19989 17.0 414.94162 20.0 417.319611 22.0 424.929749 17.0 431.04538 18.0 443.136169 18.0 454.269745 20.0 474.092712 19.0 497.154144 17.0 517.628601 22.0 519.36676 24.0 531.217285 22.0 572.151978 31.0 592.104004 17.0 596.044983 21.0 624.748779 18.0 633.508423 30.0 657.490173 26.0 664.507446 22.0 676.244141 21.0 715.039917 18.0 803.536682 17.0 825.00293 17.0 834.154663 20.0 897.312927 17.0 960.345215 20.0 963.547852 19.0 989.116211 24.0 1017.315674 18.0 1026.456787 20.0 1038.229248 21.0 1048.349609 23.0 1058.202148 38.0 1083.450195 18.0 1095.961182 17.0 1097.463867 21.0 1106.192261 20.0 1115.994385 18.0 1125.167114 22.0 1135.360718 22.0 1147.078125 18.0 1155.389526 18.0 1157.658813 19.0 1162.191528 18.0 1185.129883 17.0 END IONS BEGIN IONS SCANS=96 PEPMASS=247.03642 CHARGE=-1 COLLISION_ENERGY=0.0 71.013023 37.0 87.006592 81.0 88.004814 18.0 89.006119 42.0 89.025276 24.0 105.223877 21.0 111.012138 39.0 112.005112 95.0 112.032585 22.0 112.985329 44.0 113.003731 194.0 113.033028 29.0 114.024391 510.789642 114.983696 18.0 115.020012 3834.815918 115.791183 18.0 116.005257 21.0 116.02594 155.0 117.026627 58.0 118.925278 17.0 124.468781 18.0 125.952507 22.0 127.95311 18.0 129.023697 224.0 129.929733 17.0 130.016144 1056.0 130.730377 19.0 131.012741 1249.184814 131.608582 47.0 132.011948 145.0 133.007751 72.0 133.057068 18.0 135.022125 28.0 141.933807 18.0 142.924179 21.0 145.02446 18.0 148.029037 33.0 154.021652 115.0 155.01738 230.0 156.012253 514.0 156.039429 26.0 156.610275 18.0 157.010742 784.0 158.012955 97.246155 159.009781 44.160378 159.025986 26.336597 160.889587 30.0 165.365707 22.0 171.947632 18.0 172.031586 67.0 172.940475 37.0 173.025757 382.123749 174.024551 1003.0 175.021301 881.0 176.01384 18.0 177.025665 18.0 183.88942 18.0 185.018204 17.0 185.043961 20.0 187.886551 18.0 200.021484 166.0 200.951035 20.0 201.020081 737.0 202.021637 2089.55249 202.467896 21.0 203.016251 1948.372925 203.033859 808.627136 203.815308 18.0 204.020279 108.933128 205.003143 18.0 205.027756 31.0 205.159744 52.0 205.991852 18.0 207.097076 23.0 218.033051 120.500984 219.02832 275.897766 220.02887 18.0 221.026459 38.0 222.112396 19.0 226.951797 18.0 229.053314 20.0 229.954208 18.0 230.058914 29.0 230.937714 30.0 231.049438 38.0 231.108627 18.0 233.002304 24.0 246.040253 334.0 247.036087 429.0 247.105774 22.0 248.02803 17.0 248.052338 51.0 249.052017 20.0 249.147324 63.0 250.055679 19.0 250.145172 44.0 251.003128 51.0 281.602661 22.0 282.636932 20.0 287.201202 18.0 304.902008 29.0 511.656799 20.0 556.651489 20.0 570.456726 20.0 839.27533 20.0 918.301941 19.0 END IONS BEGIN IONS SCANS=97 PEPMASS=478.29358 CHARGE=-1 COLLISION_ENERGY=0.0 51.837315 17.0 54.758766 18.0 58.33115 45.0 59.449959 18.0 63.001396 21.0 66.232536 43.0 68.233459 24.0 68.392242 20.0 70.047485 20.0 74.574005 38.0 75.903603 18.0 77.845055 18.0 78.958168 241.0 81.43354 24.0 83.741585 17.0 90.903122 20.0 100.636986 20.0 106.50293 20.0 106.904533 20.0 112.457565 18.0 112.807892 18.0 115.214127 20.0 125.021469 28.0 127.057327 41.0 131.009644 18.0 133.334854 17.0 133.669006 19.0 133.705093 19.0 134.982346 30.0 135.27063 18.0 135.575775 17.0 135.84259 27.0 138.966507 17.0 140.011383 528.0 140.309631 19.0 140.691925 20.0 141.019989 25.0 152.996429 168.809586 153.995453 22.0 159.009491 17.0 159.213806 17.0 163.985641 18.0 175.027252 23.0 182.127701 21.0 184.351974 24.0 185.061386 17.0 185.562012 18.0 190.974426 23.0 194.880432 18.0 195.814087 18.0 196.037811 1898.700439 196.657455 18.0 197.0383 112.0 198.044373 78.0 199.042282 19.0 200.422348 18.0 201.474838 18.0 209.037964 32.0 210.792343 21.0 210.968933 18.0 212.177032 18.0 214.044647 435.0 215.048004 18.0 216.042206 21.0 216.093445 33.0 217.674561 22.0 217.759857 24.0 221.581375 18.0 228.784363 30.0 239.765945 20.0 242.536819 17.0 255.226685 112.0 261.254578 18.0 261.766968 24.0 263.181091 20.0 277.09024 18.0 277.166321 18.0 277.215729 26.0 277.800323 22.0 278.480377 20.0 279.235931 39.0 279.803589 18.0 280.235077 60.0 281.247742 22489.542969 281.541992 18.0 281.695038 20.0 282.114105 17.0 282.250885 4549.763672 282.921753 18.0 283.185364 17.0 283.26181 1542.0 284.260498 215.0 285.278168 42.0 285.316071 21.0 285.92627 18.0 288.078094 26.0 291.321014 18.0 292.765747 20.0 295.531982 19.0 297.146729 18.0 299.159698 34.0 310.002594 31.0 311.163849 18.0 314.948975 26.0 317.957092 18.0 322.799622 19.0 322.837677 29.0 325.182251 19.0 326.655487 23.0 330.965698 20.0 339.218628 20.0 347.039612 18.0 351.583313 24.0 359.095001 18.0 364.472656 20.0 364.794159 22.0 380.829559 22.0 384.978943 25.0 399.100983 19.0 415.254059 22.0 416.185394 18.0 417.240143 18.0 418.243774 17.0 434.013214 44.0 437.246216 17.0 440.066223 18.0 450.262512 74.0 451.256897 18.0 451.311371 20.0 451.651489 17.0 452.277496 114.0 460.909515 23.0 466.33194 18.0 475.002106 18.0 476.267181 22.0 477.199158 18.0 477.283051 36.0 478.292847 7403.005371 478.486603 18.0 478.71167 18.0 479.295837 1790.0 479.428497 18.0 480.022339 18.0 480.303162 548.0 481.224152 18.0 481.260284 38.0 481.308289 78.232841 482.251007 20.0 482.325684 45.0 485.446228 18.0 487.111511 21.0 493.250214 20.0 494.269684 20.0 510.966248 18.0 522.044678 25.0 538.475769 18.0 551.291199 34.0 552.729431 18.0 568.262634 27.0 574.301697 30.0 606.278137 19.0 629.450073 19.0 630.166199 32.0 674.492798 18.0 688.476196 17.0 705.302063 18.0 717.577332 18.0 729.568542 20.0 742.543213 20.0 768.427185 18.0 785.414917 21.0 786.377136 20.0 826.889832 22.0 829.519958 17.0 834.069275 17.0 892.832458 24.0 894.423889 18.0 903.600159 21.0 911.52948 22.0 929.624268 20.0 931.574829 18.0 941.5802 20.0 946.320801 18.0 999.780945 18.0 1004.501953 20.0 1060.497681 22.0 1063.527344 17.0 1084.473389 21.999998 1090.552368 17.0 1144.396851 18.0 1168.795532 20.0 1189.207275 22.0 1190.790039 18.0 1197.867065 23.0 END IONS BEGIN IONS SCANS=98 PEPMASS=450.26276 CHARGE=-1 COLLISION_ENERGY=0.0 56.44875 18.0 61.677975 18.0 70.364433 17.0 78.719574 26.0 78.958748 177.0 103.99102 18.0 109.253365 18.0 109.491753 22.0 111.005455 22.0 116.926231 17.0 122.003525 48.689457 137.980545 22.0 140.011826 640.950073 141.014084 42.0 150.95253 22.0 152.994873 134.0 156.014008 21.0 156.915878 18.0 166.021729 18.0 166.84436 22.0 171.59964 19.0 173.026978 24.0 196.037247 1710.0 197.039307 83.0 198.03743 18.0 199.288956 18.0 208.414215 20.0 214.049637 665.055237 217.017578 40.0 219.601883 20.0 229.582291 18.0 251.548798 18.0 252.459854 23.0 252.511826 17.0 253.216614 13440.480469 253.302429 19.0 253.783539 21.0 254.086426 19.0 254.164948 17.0 254.220886 2446.0 254.858261 18.0 255.169403 37.0 255.232559 16310.0 255.307617 23.0 255.365952 18.0 255.623367 20.0 256.236847 2123.0 256.426392 29.0 257.46994 20.0 257.672089 21.0 258.083679 18.0 262.085815 18.0 262.187317 18.0 273.894165 22.0 312.173157 40.0 313.157806 19.0 318.211731 25.0 318.899811 22.0 320.051697 22.0 324.278839 18.0 337.956757 19.0 358.569153 20.0 359.527283 18.0 366.995575 18.0 370.536072 17.0 374.645325 18.0 375.0289 20.0 391.229736 23.0 391.757874 17.0 392.217834 21.0 400.793884 34.0 403.548004 18.0 406.882263 19.0 449.150879 39.0 450.022156 17.0 450.260803 1877.0 451.262177 294.0 452.16861 17.0 452.277802 4748.0 452.576202 18.0 452.853729 18.0 453.282349 937.0 454.281555 29.0 456.257568 17.0 461.041168 18.0 469.571625 22.0 509.612244 19.0 526.346375 18.0 600.26825 22.0 942.637695 19.0 1019.684021 28.0 END IONS BEGIN IONS SCANS=99 PEPMASS=450.26233 CHARGE=-1 COLLISION_ENERGY=0.0 50.616707 20.0 50.849102 19.0 51.606213 20.0 55.816948 17.0 58.566158 26.0 65.256996 31.0 66.648354 20.0 67.764862 18.0 69.499512 18.0 71.635986 18.0 73.075554 26.0 74.24337 17.0 77.151634 26.0 78.033897 23.0 78.960243 66.0 80.796547 22.0 83.049362 26.0 86.258888 24.0 86.401863 18.0 86.931671 18.0 91.498734 20.0 91.751427 20.0 95.398529 18.0 96.154617 18.0 97.686661 17.0 99.581879 20.0 106.167007 22.0 107.056038 17.0 110.714554 18.0 111.126205 29.0 113.026161 19.0 114.295273 29.999998 115.110977 39.0 117.017418 20.0 118.694183 18.0 119.883347 21.0 122.005058 58.139259 122.212318 26.0 123.07621 22.0 125.247993 18.0 126.505722 20.0 127.025307 17.0 127.158188 20.0 140.011581 349.923859 141.004959 31.0 142.962631 25.0 151.078262 18.0 152.997437 160.0 153.106262 35.0 154.470795 25.0 156.048325 18.0 166.691086 31.999998 171.941467 28.0 172.666504 25.0 173.024185 39.0 175.738892 19.0 195.240509 72.0 195.415695 24.0 196.037781 804.0 196.556046 27.0 197.038925 53.0 198.039673 18.0 201.930054 20.0 201.994278 45.0 203.032715 20.0 204.03334 18.0 209.328262 18.0 214.046814 461.0 215.05098 19.0 216.051407 18.0 218.93869 20.0 219.067383 18.0 233.619476 23.0 235.204071 21.0 237.212677 20.0 249.509567 18.0 251.831482 18.0 253.041138 20.0 253.21611 11662.0 253.258987 20.0 253.755692 28.0 254.21933 2071.755127 254.327118 21.0 255.019836 18.0 255.077362 18.0 255.232208 8676.0 256.237061 1161.510498 257.238434 25.0 257.662018 32.0 260.532043 20.0 265.209778 17.0 266.590942 30.0 267.053436 23.0 271.043335 19.0 275.118835 20.0 279.381195 32.0 281.247314 83.0 281.304718 17.0 286.949738 26.0 294.357178 32.0 299.897583 28.0 315.017059 19.0 318.117554 22.0 319.04129 17.0 320.573914 20.0 321.056671 27.0 321.602722 30.0 325.187012 18.0 326.986694 18.0 339.20694 19.0 343.863251 26.0 348.024414 17.0 350.073578 22.0 350.512939 24.0 357.106812 18.0 361.00882 21.0 390.264618 22.0 403.264709 18.0 405.092773 18.0 428.840942 22.0 431.884033 18.0 432.085358 23.0 432.980042 17.0 433.018555 18.0 434.094879 47.0 436.1297 19.0 438.055756 24.0 440.089966 23.0 449.145203 18.0 449.878693 31.0 449.973724 18.0 450.164185 19.0 450.262634 1836.676392 451.262512 300.0 452.114685 19.0 452.278381 2445.0 453.136017 22.0 453.281799 313.0 454.289581 17.0 476.659729 20.0 478.295563 57.0 479.312378 19.0 542.776062 20.0 550.28833 24.0 567.329651 21.0 613.292297 18.0 614.527893 19.0 631.294739 18.0 639.172607 21.0 645.455627 18.0 686.464172 18.0 688.511292 18.0 714.08844 39.0 747.854736 25.0 756.452515 18.0 842.520081 18.0 883.03009 17.0 950.397522 17.0 951.316833 17.0 953.551025 20.0 984.419556 21.0 998.369873 19.0 1005.273438 24.0 1027.592407 17.0 1056.793701 24.0 1061.562378 20.0 1063.676147 18.0 1125.65918 18.0 1130.3573 22.0 1132.643677 25.0 1136.569946 18.0 1138.192871 17.0 1139.458618 18.0 1143.607422 30.0 1146.59729 18.0 1162.73938 22.0 1183.438232 20.0 1189.211914 22.0 1198.672363 20.0 END IONS BEGIN IONS SCANS=100 PEPMASS=905.56371 CHARGE=-1 COLLISION_ENERGY=0.0 79.043762 18.0 89.025406 32.0 121.994217 18.0 140.010529 19.0 150.866409 20.0 156.326157 20.0 157.869522 18.0 187.498932 18.0 196.036026 89.0 214.052643 23.0 236.094284 17.0 251.550186 19.0 253.218674 39.0 254.22551 40.0 255.232468 1210.0 256.233368 169.0 257.239105 19.0 258.306763 24.0 261.361481 18.0 262.981171 22.0 266.562927 35.0 269.031677 18.0 281.209717 21.0 298.881805 18.0 335.305786 18.0 335.40274 18.0 339.199951 21.0 354.125885 36.0 358.354065 20.0 428.285828 18.0 434.566986 22.0 445.626434 17.0 447.247925 40.0 450.262268 94.0 451.265015 122.0 452.27829 7327.0 452.351227 22.0 452.534637 41.0 453.223694 35.624756 453.281189 1745.0 454.285492 297.0 455.287537 68.0 464.826141 33.0 549.281494 18.0 609.363892 28.0 640.682983 24.000002 712.285583 18.0 861.504883 22.0 890.299683 20.0 905.555176 38.0 906.561218 58.0 907.340454 18.0 1011.115967 19.0 END IONS BEGIN IONS SCANS=101 PEPMASS=452.27745 CHARGE=-1 COLLISION_ENERGY=0.0 62.796944 37.0 68.225288 26.0 71.071762 22.0 78.958458 1023.0 78.997986 22.0 79.800293 19.0 87.016327 18.0 88.041725 17.0 96.376869 18.0 96.963837 23.0 102.627747 18.0 104.976952 20.0 108.705803 18.0 110.237656 19.0 115.020981 18.0 115.194389 20.0 117.168076 18.0 122.001732 69.0 122.983978 18.0 124.017883 18.0 125.005722 26.0 125.060326 22.0 134.982025 35.0 140.011597 2074.887695 140.22168 35.0 141.018402 79.0 142.926971 20.0 145.048737 26.0 145.974777 21.0 152.996613 551.385132 154.528931 20.0 155.075562 18.0 158.827347 28.0 159.815292 18.0 166.945099 18.0 167.035049 20.0 167.105133 29.0 171.007751 18.0 171.029877 18.0 178.02388 18.0 187.191162 55.0 187.423096 18.0 195.804382 20.0 195.885651 21.0 195.952927 27.0 196.037766 6925.353027 196.906616 17.0 197.041107 454.0 198.03978 84.0 198.562012 20.0 198.842834 17.0 204.847382 22.0 210.942123 23.0 214.04837 1482.06897 215.048447 62.0 216.04747 23.0 219.013794 39.0 231.857086 36.0 231.95517 28.0 235.008789 17.0 239.969955 18.0 251.422165 17.0 251.483521 17.0 251.510361 24.0 251.56012 25.0 251.586929 20.0 252.33847 18.0 253.215698 612.0 253.635849 22.0 253.777756 25.0 254.220032 1399.0 255.150787 18.0 255.192688 27.8936 255.23317 65978.164062 255.305542 1219.138916 255.417786 36.0 255.555511 18.0 255.6203 36.0 255.658401 18.0 255.68103 18.0 255.953354 19.0 256.038544 19.0 256.148407 18.0 256.189545 17.0 256.236694 15134.0 256.323578 38.0 256.530731 18.0 256.602692 18.0 256.641632 21.0 256.857727 20.0 257.239014 1468.0 257.390564 21.0 257.423737 18.0 257.787811 40.0 257.863312 20.0 258.244385 78.0 258.296631 19.0 258.974823 18.0 259.059723 17.0 259.478271 18.0 259.686218 40.0 260.062042 20.0 261.655792 25.0 261.937592 22.0 262.127289 18.0 263.074005 18.0 263.12851 19.0 266.153839 22.0 270.09256 19.0 275.442871 26.0 275.56311 20.0 278.984467 24.0 281.248932 24.0 283.259827 22.0 284.658539 18.0 285.087433 22.0 288.992554 18.0 289.027466 34.0 291.989044 20.0 294.067017 20.0 297.099121 20.0 297.154419 18.0 310.004425 18.0 320.157471 25.0 323.059906 30.0 325.169403 20.0 342.374603 21.0 343.8992 17.0 362.11261 37.0 371.170197 22.0 391.232391 128.0 393.225708 18.0 397.106354 23.0 406.042786 18.0 408.019501 17.0 409.022766 23.0 411.361145 17.0 437.064117 19.0 445.31842 18.0 451.268005 314.0 452.278656 20629.603516 452.367859 23.0 452.497528 17.0 453.281219 5152.0 453.669464 20.0 454.28363 870.534058 455.178009 20.0 455.290955 99.0 455.739044 22.0 460.74408 19.0 461.708435 18.0 480.479767 18.0 488.05481 21.0 547.853271 19.0 643.471436 18.0 659.49646 19.0 660.017212 20.0 679.211121 18.0 706.914429 27.0 737.765808 22.0 774.216797 24.0 878.383301 17.0 890.200623 46.0 903.539856 35.0 905.580383 19.0 1029.604614 17.0 1074.542114 22.0 END IONS BEGIN IONS SCANS=102 PEPMASS=453.28092 CHARGE=-1 COLLISION_ENERGY=0.0 53.338535 17.0 55.091213 20.0 78.947716 20.559196 78.958176 89.742538 79.574242 23.0 95.006203 18.0 96.956467 18.0 105.017128 22.0 117.076736 22.0 134.986542 26.0 137.006256 25.0 140.010925 290.0 141.015305 41.0 142.924637 21.0 152.998459 55.0 159.005539 17.0 166.028397 17.0 169.006546 22.0 173.092133 28.0 186.061844 20.0 196.037842 707.0 196.350555 18.0 197.038727 111.0 197.992935 18.0 198.03656 47.0 200.944443 31.0 214.049332 117.0 215.060089 21.0 215.090088 20.0 229.939819 23.0 253.217255 37.0 254.218155 18.0 254.240097 20.0 255.232819 7769.0 255.356308 24.0 256.236542 2092.0 257.241852 139.0 258.087585 18.0 258.242126 38.0 258.535858 18.0 259.339325 18.0 265.065552 19.0 267.140015 17.0 280.938599 30.0 292.075104 22.0 304.851532 18.0 334.981598 27.0 335.980835 21.0 337.920654 23.0 339.022156 26.0 364.111816 19.0 408.882446 18.0 408.97934 20.0 438.982666 37.0 452.2789 2350.0 452.934418 18.0 453.033539 18.0 453.282166 771.0 454.286194 263.0 455.285828 72.0 456.169739 18.0 457.10257 18.0 799.775024 18.0 883.474365 18.0 935.362976 23.0 END IONS BEGIN IONS SCANS=103 PEPMASS=305.06831 CHARGE=-1 COLLISION_ENERGY=0.0 51.104042 18.0 54.23671 27.0 58.05518 18.0 61.987034 20.0 66.041092 25.0 69.035301 23.0 71.011818 215.0 75.004021 18.0 78.019257 20.0 79.95752 20.0 84.01181 17.0 85.011513 102.0 85.232056 18.0 87.008087 86.0 88.041161 21.0 89.004738 23.0 89.023544 209.0 90.031204 19.0 93.03331 20.0 96.95845 18.0 98.030624 24.0 98.059326 23.0 99.006485 43.0 100.009384 85.0 100.031456 18.0 100.489349 27.0 101.002861 45.0 101.024796 36.0 107.74765 19.0 111.008148 50.0 113.023468 23.0 114.024559 521.0 115.020378 1853.602173 115.97567 23.0 116.019981 81.688911 116.03083 59.0 116.925362 60.0 117.189308 18.0 119.040398 19.0 119.979057 33.0 125.021996 20.0 126.026398 21.0 127.02063 23.0 129.020264 42.0 131.045349 40.0 133.035019 83.0 135.056458 34.0 137.972382 22.0 139.038101 18.0 141.017624 18.0 141.037903 115.0 141.30719 19.0 142.032486 17.0 143.012039 22.0 143.034851 18.0 144.064117 20.0 145.050964 38.0 145.086334 76.0 145.959244 18.0 151.047256 48.0 152.930618 24.0 155.751373 18.0 156.034195 248.0 156.894562 41.0 157.031876 1280.0 158.037827 44.0 160.892532 54.0 161.061386 21.0 163.07196 18.0 164.976242 23.0 165.983536 20.0 166.052414 18.0 169.029114 109.0 170.052277 60.0 171.045395 152.0 172.027328 61.000004 172.955887 18.0 173.028595 74.0 173.931931 23.0 174.053787 20.0 174.986221 18.0 175.032776 17.0 176.020355 31.0 176.067017 18.0 179.000061 22.0 182.847275 18.0 183.037994 33.382542 183.05368 23.61746 184.027161 17.0 184.148239 22.0 184.399979 23.0 185.021759 45.0 185.040878 17.0 186.044739 1110.70166 186.915054 20.0 187.042435 4316.677734 187.072372 37.55444 187.276764 18.0 188.04538 246.0 188.649963 20.0 189.029083 36.0 189.05426 20.0 189.308334 25.0 190.218155 34.0 195.135986 21.0 198.047928 40.0 198.23111 19.0 199.0401 602.0 200.044586 63.0 200.954391 36.0 201.021561 25.0 202.056046 25.0 202.998352 17.0 204.076981 18.0 205.040146 22.0 205.075485 17.0 209.081314 28.0 214.881012 18.0 215.04393 26.0 216.056442 19.0 216.920212 24.0 217.055527 112.0 218.056961 38.0 221.787018 27.0 224.159729 20.0 226.133377 17.0 227.103439 19.0 228.027679 19.0 228.130936 22.0 229.047226 50.0 231.076599 20.0 232.909653 18.0 233.058411 18.0 233.170273 33.0 241.051895 17.0 243.961975 18.0 243.996109 17.0 244.051117 25.0 244.092361 18.0 245.050079 116.0 246.052078 19.0 252.09877 18.0 258.063995 141.0 259.027069 18.0 259.063507 814.0 259.83609 19.0 259.934845 20.0 260.070312 112.0 261.074829 19.0 261.923889 20.0 262.292145 19.0 264.157166 20.0 264.554688 17.0 268.205963 18.0 268.229034 20.0 270.068909 21.0 275.053497 39.0 276.060272 51.0 277.085083 52.914474 287.01181 19.0 287.062927 22.0 288.070709 36.0 290.026459 19.0 290.090179 21.0 300.554199 18.0 304.071808 404.0 304.169006 29.0 304.65918 18.0 305.069458 2452.365234 305.253662 18.0 305.377869 29.0 306.070526 422.81546 306.134338 18.0 307.049866 42.0 307.072937 40.0 307.140381 99.0 308.078674 18.0 308.101929 18.0 308.141541 35.0 309.179169 67.0 309.509308 17.0 368.100037 18.0 394.99765 20.0 415.014496 21.0 424.042084 24.0 435.934418 17.0 474.693542 23.0 508.501678 22.0 515.14978 20.0 518.61676 23.000002 578.176025 19.0 593.255737 18.0 653.653198 18.0 658.516235 22.0 724.98645 30.0 794.297791 17.0 842.673523 18.0 872.387085 26.000002 877.357971 18.0 946.251648 20.0 995.540527 17.0 1116.512939 22.0 1123.67688 20.0 END IONS BEGIN IONS SCANS=104 PEPMASS=187.04126 CHARGE=-1 COLLISION_ENERGY=0.0 50.304134 20.0 55.167007 18.0 65.600426 18.0 71.01226 340.0 71.048378 18.0 74.091339 17.0 74.851974 20.0 84.764832 19.0 85.031418 28.0 87.007362 68.0 88.004417 17.0 88.039719 32.0 89.02137 39.0 96.969711 24.0 98.020386 20.0 98.982147 18.0 99.0793 36.0 99.925415 17.0 100.933601 111.0 101.005318 58.0 103.128685 20.0 108.044495 20.0 111.007469 61.0 112.837646 28.0 113.043854 18.0 114.024239 1706.0 115.020218 6937.302246 115.309731 25.0 115.355125 22.0 116.024292 323.0 116.040878 38.0 117.028755 106.0 117.611526 23.0 118.338951 18.0 119.559135 17.0 121.608032 26.0 123.077766 18.0 125.02095 88.0 129.048859 18.0 130.017014 19.0 133.865097 18.0 135.01619 18.0 135.043793 18.0 135.778091 20.0 143.051819 96.0 143.07402 36.0 143.869736 22.0 143.927841 18.0 144.015656 54.0 144.070114 22.0 144.922134 29.0 145.012604 23.0 145.045441 20.0 145.896912 35.0 147.009979 19.0 157.031982 20.0 159.895767 46.0 169.013885 20.0 171.002625 43.0 171.024826 42.0 172.022766 46.0 175.864868 22.0 186.044098 1282.0 187.041183 6149.259766 187.087814 18.0 187.368271 20.0 188.021851 205.0 188.044907 531.82843 188.28157 18.0 189.020752 454.137115 189.056763 119.859726 191.019653 61.0 193.550735 19.0 196.825531 19.0 199.350525 29.0 211.912415 26.0 227.677292 19.0 245.659592 20.0 265.199127 20.0 277.998444 18.0 311.177917 20.0 330.248016 19.0 333.22702 21.0 348.630157 24.0 362.805634 22.0 379.040955 18.0 389.236206 30.0 445.601501 23.0 452.276184 19.0 485.49939 21.0 489.972687 24.0 525.746887 17.0 536.290527 36.0 542.830933 20.0 568.156311 26.999998 568.799011 20.0 593.991272 20.0 861.198975 18.0 918.959106 18.0 1079.245728 18.0 1130.28479 22.0 1132.667114 54.000004 1147.52002 24.0 1156.131104 26.0 1164.333618 21.0 END IONS BEGIN IONS SCANS=105 PEPMASS=417.10315 CHARGE=0 COLLISION_ENERGY=0.0 60.01796 18.0 68.998993 34.0 71.012405 62.0 72.989632 20.0 79.019318 19.0 87.01355 26.0 89.022423 61.0 93.035484 35.0 95.048775 18.0 101.025482 32.0 102.022026 18.0 103.032204 32.0 105.033691 18.0 107.015465 30.0 107.051048 18.0 113.02404 53.0 114.023453 124.0 115.020927 39.0 116.927727 20.0 119.015503 18.0 119.032677 44.0 119.049332 18.0 121.012871 41.0 121.028221 23.0 123.864685 32.0 125.025269 17.0 125.48024 18.0 126.052727 18.0 126.997429 17.0 131.03923 37.0 133.028 22.0 145.498749 19.0 147.048645 30.0 149.014694 17.0 149.266434 24.0 151.036621 37.0 153.025238 39.0 159.017715 51.0 160.993301 20.0 161.017303 38.0 163.981873 18.0 165.049896 17.0 168.993561 31.0 169.06488 20.0 169.121902 21.0 176.046814 18.0 177.013901 45.0 181.064178 19.0 181.935272 20.0 187.038284 36.0 191.035294 41.0 192.141632 18.0 193.02153 47.0 195.02359 24.0 196.034073 21.0 197.048615 21.0 197.064026 25.0 198.039307 24.0 200.048615 26.0 201.022964 27.0 205.013031 110.0 206.012665 54.0 206.987579 43.0 210.05426 25.0 211.047852 17.0 215.395096 24.0 217.05043 18.0 222.054123 25.0 223.022858 35.0 224.051117 18.0 231.035339 18.0 234.987045 22.0 239.037399 18.0 243.199158 18.0 244.042175 26.0 248.977127 17.0 254.547714 18.0 255.048065 18.0 255.12059 22.0 257.062744 43.0 259.045654 26.0 259.079102 28.0 265.03183 17.0 266.905273 18.0 281.080933 19.0 287.089508 23.0 293.021576 18.0 295.103027 25.0 296.010925 21.0 301.068939 58.0 302.010529 18.0 302.046448 18.0 302.070038 18.0 305.073364 105.0 310.082275 42.0 311.075287 18.0 316.018372 18.0 320.296021 18.0 326.891144 19.0 329.110718 17.0 329.981323 18.0 332.127594 18.0 333.075897 23.0 343.884369 31.000002 352.700378 18.0 354.066162 24.0 355.04361 20.0 355.09317 19.0 370.020569 20.0 373.124969 18.0 380.019958 33.0 383.969818 23.0 391.942963 20.0 398.084564 18.0 398.162201 18.0 399.145966 18.0 399.833679 23.0 416.119659 23.0 416.172577 17.0 416.243896 21.0 417.092804 43.0 417.171448 23.0 418.084259 47.0 418.121307 27.0 419.086487 18.0 419.123749 95.0 420.08609 20.0 420.132019 26.000002 421.125275 38.0 465.818695 22.0 470.086975 20.0 525.176941 21.0 1008.670532 18.0 END IONS BEGIN IONS SCANS=106 PEPMASS=553.17676 CHARGE=0 COLLISION_ENERGY=0.0 88.834373 20.0 88.989525 60.914173 89.023895 2852.0 89.973579 18.0 90.027397 74.0 90.849808 18.0 122.105759 19.0 127.01696 21.0 128.03978 25.0 130.023102 18.0 136.997299 23.0 143.04039 22.0 148.915802 25.0 152.994598 25.0 153.011902 19.0 166.051025 21.0 178.878082 17.0 180.034775 21.0 184.011246 18.0 185.078583 27.0 186.061264 20.0 186.105576 19.0 187.017776 25.0 187.04538 18.0 193.022385 20.0 193.047073 44.0 195.028793 23.0 205.015106 147.0 206.017822 18.0 206.045395 17.0 206.08403 18.0 217.036682 18.0 219.026047 18.0 219.060028 23.0 221.081711 28.0 221.985214 20.0 223.028152 62.0 223.061493 18.0 226.093735 18.0 237.04451 110.0 255.045319 73.0 265.150635 66.0 266.066986 18.0 266.15036 18.0 278.080963 18.0 279.05014 18.0 279.073456 18.0 283.044159 18.0 296.063934 18.0 297.066589 42.0 297.152649 20.0 305.075714 20.0 307.077606 23.0 309.180908 18.0 311.16687 17.0 319.034302 22.0 325.186462 18.0 327.082916 21.0 331.057953 18.0 332.133759 18.0 350.069275 28.0 355.139069 31.0 357.182465 18.0 389.076904 24.0 394.181885 20.0 417.100433 122.0 421.031036 22.0 430.099915 18.0 452.036102 20.0 452.25177 26.0 465.026794 18.0 467.09549 17.0 468.157654 18.0 473.119812 22.0 476.159363 18.0 491.136108 34.0 493.164642 18.0 507.137726 108.0 517.728516 18.0 519.126953 25.999998 552.207825 18.0 553.028809 18.0 553.122437 20.0 553.275391 18.0 555.31604 30.0 556.203674 41.0 556.386475 20.0 666.937134 31.0 END IONS BEGIN IONS SCANS=107 PEPMASS=509.15035 CHARGE=0 COLLISION_ENERGY=0.0 55.020393 22.0 59.013397 298.0 69.035133 43.0 71.013672 505.0 72.012596 17.0 72.988983 18.0 73.030602 41.0 80.027267 33.0 81.031075 18.0 87.009338 119.0 88.037781 80.0 88.988007 19.0 89.023689 1343.0 89.732498 20.0 90.027222 36.0 93.237663 18.0 95.012314 59.0 96.969292 18.0 99.011635 32.0 100.998985 20.0 101.024132 1065.0 105.035583 100.0 105.144554 32.0 107.021034 34.0 108.026688 17.0 109.031746 56.0 111.0103 42.0 113.024513 438.0 113.33979 20.0 114.025032 19.0 115.016838 26.0 117.027733 37.0 119.033844 683.838379 120.031807 40.0 120.203262 25.0 121.03141 106.0 123.007896 25.0 123.044189 63.0 125.02356 229.0 127.03566 18.0 129.051361 18.0 131.034134 101.39505 131.04541 110.824387 133.026611 96.0 134.038589 53.0 135.0121 18.0 135.04631 18.0 135.713303 18.0 136.015762 18.0 137.024261 191.0 137.052139 19.0 138.036041 18.0 138.211395 27.0 139.006775 18.0 139.03894 36.0 141.013596 50.0 141.053635 41.0 143.031601 135.0 143.107193 411.0 146.780273 19.0 147.047379 35.0 149.023544 224.0 149.044662 69.0 150.029175 86.40741 150.04718 15.592592 150.308029 18.0 151.040665 248.659256 152.041199 21.0 153.018387 735.111206 154.023209 139.0 155.034622 138.0 157.024506 18.0 159.007385 18.0 160.012222 18.0 160.060059 18.0 161.024551 498.447021 161.046082 284.546722 161.894409 17.0 162.026001 110.0 162.051239 35.0 163.041 122.0 165.013489 21.0 165.053055 99.0 166.026779 18.0 166.062393 18.0 166.395706 23.0 167.034592 267.0 167.104828 18.0 168.034088 58.0 169.006012 18.0 171.026398 18.0 171.115295 26.0 173.026489 41.0 175.040161 187.0 176.002579 18.0 176.039703 30.0 176.922653 18.0 177.019745 1070.0 178.023529 58.0 179.033051 385.946503 179.055099 568.053467 180.041153 81.0 180.059418 22.0 181.047928 39.0 182.052582 18.0 183.032852 42.0 184.066391 17.0 185.025253 18.0 185.045853 41.0 185.111328 22.0 187.000504 19.0 187.041168 63.0 188.003952 30.0 189.018845 103.0 191.032013 388.0 192.035934 25.0 193.016708 58.483139 193.052185 256.613434 194.031708 51.0 195.029449 594.938232 196.026505 37.0 197.041077 74.0 198.05687 20.0 199.046112 17.0 201.023575 47.0 202.017578 18.0 202.98819 18.0 203.032867 94.0 203.057755 42.0 204.953049 20.0 205.013565 4312.22998 205.051071 60.0 206.018723 509.0 207.031616 35.0 207.056976 114.0 208.035278 120.0 209.044785 456.869141 210.044388 18.0 211.057648 74.0 212.069595 18.0 213.042511 21.0 215.039703 20.0 215.122589 43.0 218.056396 26.0 219.031433 601.0 219.061584 44.0 220.030212 38.0 221.045471 135.0 221.070236 51.0 223.025864 593.950378 223.062119 39.0 224.026367 45.0 226.875137 18.0 227.060028 150.0 229.017715 42.0 232.995132 18.0 233.045425 78.0 233.130737 22.0 234.045532 18.0 235.022888 18.0 235.055328 41.0 236.040131 29.0 237.039932 1422.0 237.169113 18.0 238.044876 273.0 239.034805 27.0 239.057983 89.0 240.066849 22.0 240.180923 18.0 245.014297 18.0 246.129517 21.0 247.023651 63.0 248.01973 18.0 249.043137 19.0 251.056076 162.0 251.512543 18.0 252.050323 46.0 252.318192 18.0 255.050476 3566.295654 256.052704 427.0 256.654816 18.0 257.056396 100.0 259.031921 23.0 261.039032 80.0 263.07959 18.0 265.037354 47.0 269.062805 71.0 273.031799 24.0 277.057983 19.0 279.0495 315.0 280.050629 36.0 281.065399 18.0 281.250519 223.0 282.248383 25.0 285.089874 17.0 285.109741 18.0 287.057739 18.0 290.092896 20.0 291.050323 67.0 297.060577 466.0 298.067993 59.0 299.067474 52.799004 299.083679 18.0 304.071625 24.0 305.061371 36.0 305.157837 42.0 309.058929 46.0 311.16098 33.0 315.110199 20.0 317.123627 18.0 320.082458 20.0 327.068268 146.0 327.391785 22.0 341.195862 18.0 342.970795 19.0 344.309967 17.0 347.169067 52.0 357.079132 97.0 358.09024 41.0 359.101379 24.0 371.093903 86.0 374.132477 18.0 379.171661 22.0 385.082062 126.0 389.17807 18.0 391.105835 18.0 416.975586 21.0 417.101685 1853.0 417.272217 27.0 418.105011 290.0 419.106384 78.0 425.56308 18.0 444.054047 18.0 447.098663 17.0 462.136627 18.0 463.106598 232.0 463.224091 64.0 464.110199 85.0 468.249542 26.0 480.829926 26.0 485.288116 23.0 509.150635 35.0 509.284882 63.0 513.084106 25.0 519.022827 17.0 532.929932 18.0 547.294434 18.0 596.1073 18.0 622.672791 18.0 640.210083 19.0 706.032654 22.0 END IONS BEGIN IONS SCANS=108 PEPMASS=513.21889 CHARGE=0 COLLISION_ENERGY=0.0 52.853539 17.0 54.914185 22.0 59.014076 183.0 71.014046 248.0 73.032494 27.0 75.006798 22.0 83.011887 20.0 85.027901 57.0 86.002907 29.0 89.02301 379.0 90.256042 18.0 95.013519 48.0 101.024513 676.0 103.123795 18.0 106.997284 22.0 109.030838 19.0 113.023865 665.735229 114.027283 38.0 115.021187 20.0 118.929184 35.0 119.036407 412.0 121.038185 17.0 124.082458 25.0 125.027504 57.0 127.711029 18.0 130.015488 18.0 131.032028 35.0 131.047897 21.0 131.578476 20.0 133.042358 17.0 134.052277 18.0 143.021729 18.90226 143.037964 128.097748 143.108032 3291.510742 144.062653 21.0 144.109207 269.0 145.045593 41.0 147.02301 35.0 148.03627 22.0 149.047318 41.0 150.047897 17.0 152.028366 19.0 156.954742 18.0 157.106293 18.0 157.125763 20.0 158.937424 18.0 161.045593 781.0 162.047256 78.0 163.036697 22.0 164.175644 18.0 170.043991 17.0 171.14183 18.0 172.947479 18.0 178.016464 18.0 179.055283 576.0 180.059799 77.0 180.409241 18.0 181.056519 18.0 182.060974 39.0 182.379654 20.0 185.119446 437.0 186.118698 43.0 187.042831 20.0 196.056564 18.0 197.114365 35.0 203.057678 287.0 204.027435 18.0 207.031738 22.0 210.123047 30.999998 215.12793 130.0 216.13118 40.0 219.119659 20.0 219.938339 20.0 221.06752 110.0 222.07695 22.0 226.97522 41.0 227.053802 20.0 228.405029 18.0 229.055725 23.0 233.142456 173.0 234.072327 20.0 239.124588 18.0 252.983215 20.0 255.053818 22.0 259.071777 44.0 263.076416 286.0 264.079437 47.0 266.085785 18.0 275.147156 18.0 285.106079 18.0 299.118195 21.0 305.055359 17.0 305.161346 297.0 306.172211 22.0 317.190399 18.0 323.09671 17.0 341.105408 18.0 345.617645 24.000002 347.173248 488.0 347.301605 32.0 348.179382 137.0 361.112 18.0 365.186493 35.0 366.181702 27.0 367.21521 23.0 381.051727 22.0 387.107941 19.0 389.182495 162.0 390.186462 63.0 394.192657 17.0 455.520142 20.0 467.213196 39.0 471.255524 22.0 513.224304 23.0 514.123535 51.0 515.086609 18.0 515.125916 45.0 515.253906 18.0 517.035767 20.0 517.107788 18.0 532.030334 21.0 552.234192 18.0 END IONS BEGIN IONS SCANS=109 PEPMASS=463.10903 CHARGE=-1 COLLISION_ENERGY=0.0 51.490696 34.0 56.678886 20.0 56.908516 22.0 59.012531 281.95816 60.017368 17.0 60.102512 18.0 60.150196 18.0 61.01545 22.0 65.429741 24.0 65.859749 18.0 66.627289 23.0 67.284515 22.0 68.997643 25.0 70.03521 20.0 70.123634 18.0 71.012527 177.0 72.017303 56.0 74.193245 18.0 74.998985 19.141323 75.010048 75.858681 83.353806 20.0 84.008453 35.0 85.028435 17.0 87.002281 18.0 89.024529 470.0 90.023651 42.0 92.201317 31.0 93.032684 65.0 93.300499 19.0 97.027069 23.0 100.038574 17.0 101.024307 520.0 102.022865 43.0 102.05854 18.0 106.017242 21.0 106.628021 20.0 107.032997 19.0 107.051979 43.0 108.994568 20.0 112.016075 22.0 112.873932 25.0 113.025726 241.0 113.869087 18.0 114.056351 20.0 115.018997 19.0 116.489647 18.0 118.033241 19.0 119.03289 201.654419 121.025795 18.0 123.00251 17.0 124.00972 22.0 125.021751 72.0 125.993408 20.0 127.043869 18.0 128.039093 39.0 130.087799 20.0 131.010284 18.0 131.039749 38.0 133.030792 73.0 135.043549 17.0 137.024887 110.0 137.064255 37.0 137.127533 22.0 139.767746 22.0 141.015686 17.0 142.020477 17.0 143.039169 43.0 143.57399 18.0 145.058823 23.0 147.00975 22.0 147.030228 18.0 149.021896 198.0 149.05162 45.0 150.021942 17.0 150.038666 20.0 151.007812 33.0 151.038605 69.0 152.120651 17.0 153.019913 315.0 154.020554 36.0 154.517868 17.0 155.035355 68.0 156.533386 22.0 156.61937 22.0 160.010025 40.0 160.056534 20.0 161.024277 266.341095 161.045761 153.201233 161.578903 18.0 162.028442 41.0 162.141251 17.0 163.034653 76.0 164.81691 18.0 165.059296 54.0 167.034958 240.0 168.037033 41.0 169.049545 30.0 171.028961 19.0 174.032425 26.0 175.040512 57.0 175.114944 18.0 176.012314 39.0 176.037338 18.0 177.019287 462.0 178.024323 65.0 179.028915 42.0 179.053391 327.0 179.111557 20.0 180.035828 18.0 181.048828 99.0 184.987213 18.0 187.044159 37.0 189.022369 49.0 191.038162 83.0 192.002289 18.0 193.014221 54.0 193.041199 35.0 193.058762 18.0 193.686737 18.0 194.05571 42.0 195.030945 317.0 196.016403 23.0 196.036377 21.0 197.04425 31.0 199.063583 18.0 200.003784 18.0 201.048553 19.0 202.052673 17.0 202.653381 21.0 202.935806 27.0 203.002228 83.0 203.03418 60.0 204.003342 31.0 204.040482 18.0 204.843918 20.0 205.013306 1811.176025 205.051117 71.246979 205.22261 17.0 206.019501 202.0 206.229568 18.0 208.036331 59.394379 209.045685 126.0 210.051208 43.0 211.931732 23.0 212.06192 21.0 219.027908 194.0 220.03656 39.0 221.029984 25.0 223.02597 120.0 224.027283 17.0 225.034637 37.0 228.909637 18.0 231.034332 22.0 232.053833 34.0 233.045395 47.0 234.045532 22.0 234.507599 18.0 235.05661 17.0 237.039581 311.0 238.045975 118.0 239.049469 18.0 240.048599 17.0 240.886536 18.0 240.973877 18.0 243.083374 23.0 245.048706 17.0 247.031326 44.0 248.030853 18.0 251.052261 27.0 254.245743 18.0 255.051727 1218.0 255.114944 18.0 256.059662 164.0 257.057556 17.0 258.057587 17.0 259.019714 29.0 267.055756 22.0 269.064636 43.0 271.095764 21.0 274.083954 19.0 279.053925 95.0 286.666687 30.0 294.138641 22.0 297.058472 98.734642 297.157166 23.0 298.053711 27.282961 298.077026 18.0 302.885498 20.0 308.876678 38.0 311.19162 25.0 315.06665 21.0 317.205872 18.0 321.677979 18.0 327.060242 20.0 327.401306 17.0 329.007965 21.0 330.444916 20.0 332.132202 22.0 333.180542 18.0 342.104919 29.0 345.940338 21.0 346.655762 20.0 348.079498 20.0 357.076447 18.0 359.097198 20.0 359.854004 18.0 362.330994 18.0 367.056976 24.0 370.526703 21.0 372.105927 18.0 375.63678 18.0 378.564636 18.0 384.391968 29.0 388.072601 21.0 388.97821 18.0 416.981293 24.0 417.10321 168.0 418.091858 73.0 421.301758 17.0 424.099243 22.0 430.123352 18.0 447.088623 20.0 463.114136 133.0 463.174835 54.0 463.250427 37.0 464.002472 18.0 464.125427 28.0 464.174713 18.0 464.811218 20.0 465.29306 23.0 466.049347 20.0 467.200439 67.0 507.137146 45.0 527.142822 18.0 539.232605 58.0 550.160217 18.0 595.183167 22.0 628.623596 27.0 664.336975 20.0 700.680908 18.0 707.38031 18.0 846.191711 19.0 885.527161 18.0 1030.425415 17.0 1043.4104 24.0 1057.073975 21.0 1092.492554 22.0 1100.36145 21.0 1132.309082 27.0 1164.751831 18.0 END IONS BEGIN IONS SCANS=110 PEPMASS=379.16069 CHARGE=0 COLLISION_ENERGY=0.0 50.538185 22.0 50.587799 22.0 50.738033 21.0 51.137028 18.0 52.068707 31.0 53.097858 32.0 59.014977 34.0 59.048862 20.0 59.550003 20.0 62.353672 20.0 67.017532 17.0 71.012383 150.0 73.039459 18.0 74.024857 27.0 77.788269 22.0 79.894829 25.0 81.280846 18.0 83.012268 19.0 85.02697 20.0 87.008072 18.0 88.032707 23.0 89.025131 454.0 89.412682 24.0 90.444977 18.0 90.929634 18.0 94.893303 25.0 95.165413 18.0 99.011276 41.0 99.917313 18.0 100.00959 18.0 100.894463 18.0 101.023643 156.0 102.029442 24.0 103.046539 27.0 104.991196 20.0 108.541931 20.0 111.683319 17.0 112.981453 21.0 113.023926 58.0 115.001106 18.0 115.582314 17.0 115.894608 18.0 116.033455 36.0 117.58931 17.0 119.034363 122.0 120.037315 21.0 123.449646 18.0 123.720512 18.0 124.992798 18.0 125.02597 48.0 126.053726 18.0 126.064606 18.0 126.768112 31.0 127.487663 20.0 129.006699 18.0 131.031769 58.0 131.669113 29.0 132.375107 18.0 132.887924 21.0 141.053146 21.0 143.033157 39.0 149.044708 242.0 150.112183 28.0 150.323837 27.0 151.87645 18.0 153.051849 23.0 157.033478 18.0 157.850616 22.0 158.093369 20.0 159.021759 18.0 160.06044 49.0 160.940353 35.0 161.048065 64.0 164.557571 26.0 169.035751 26.0 171.915283 18.0 173.061096 33.0 174.003296 20.0 174.040527 54.0 174.724731 22.0 179.052917 40.0 183.238525 18.0 186.089264 25.0 187.294907 26.0 188.655945 17.0 190.945358 20.0 191.058563 163.0 195.722504 17.0 204.909653 34.0 208.028717 18.0 209.169998 22.0 213.077805 18.0 215.033081 31.0 215.890671 18.0 219.180923 24.0 221.070419 24.0 221.131149 18.0 225.964218 18.0 232.472992 18.0 235.045822 17.0 235.924942 45.0 238.99086 19.0 239.92366 19.0 242.98642 52.0 243.085205 19.0 244.068604 17.0 247.120361 28.0 253.141373 18.0 255.058487 19.0 255.34433 30.0 263.969269 18.0 266.662872 19.0 275.960876 20.0 277.041443 21.0 287.163452 19.0 289.056549 17.0 289.983246 18.0 291.070496 24.0 295.941132 18.0 311.171265 35.0 312.161285 29.0 313.602631 18.0 316.476837 18.0 318.088409 26.0 321.18219 23.0 328.227356 24.0 332.103729 20.0 333.059814 18.0 336.07663 18.0 341.545776 17.0 343.537598 18.0 367.078613 18.0 379.099121 36.0 379.166718 228.375931 380.167877 98.0 381.116852 18.0 381.194153 18.0 383.1203 20.0 391.530579 18.0 397.110779 18.0 404.681122 24.0 407.161743 20.0 411.317291 36.0 417.0961 18.0 456.843079 21.0 463.116455 40.0 468.2052 18.0 472.597382 17.0 492.245117 22.0 493.123749 18.0 507.125397 17.0 542.313049 20.0 549.130737 30.0 549.177917 18.0 567.234497 35.0 571.274597 25.0 579.173645 22.0 632.194763 20.0 650.237305 18.0 665.13562 18.0 678.264832 22.0 700.353088 18.0 722.387085 34.0 769.211792 17.0 774.274292 26.0 856.388489 19.0 863.301941 20.0 877.337158 17.0 893.303833 18.0 970.251282 17.0 989.447144 22.0 990.515076 18.0 996.517761 18.0 1036.411621 27.0 1051.390137 19.0 1092.603638 18.0 1131.369873 19.0 1133.240845 21.0 1160.64856 20.0 1187.147339 20.0 END IONS BEGIN IONS SCANS=111 PEPMASS=424.24667 CHARGE=0 COLLISION_ENERGY=0.0 57.030991 26.0 58.00061 18.0 59.014851 156.0 68.156616 22.0 71.010147 58.0 71.953323 19.0 72.99926 25.000002 78.961212 40.0 84.994186 20.0 85.029953 38.0 89.023529 456.0 89.038986 23.0 99.007904 90.0 99.040459 18.0 101.023712 271.0 103.029243 28.0 113.022964 200.0 115.01619 18.0 119.03212 173.0 125.022247 27.0 131.03508 237.0 132.037979 29.0 135.310623 23.0 137.033127 18.0 140.01059 161.0 140.999969 18.0 141.016449 35.0 143.036774 55.0 149.047348 571.0 152.994644 70.0 158.032089 20.0 159.023972 26.0 161.045563 74.0 166.069321 24.0 179.055801 142.0 180.057602 21.0 184.826263 20.0 185.026199 20.0 187.037827 105.0 189.045685 20.0 190.04805 22.0 191.060333 137.0 193.045654 39.0 195.140518 20.0 196.037598 346.0 197.030365 21.0 197.050781 44.0 198.03598 18.0 214.048126 96.0 216.043442 27.0 217.147964 21.0 221.064911 43.0 225.035355 18.0 225.188385 26.999998 226.185226 20.0 227.201004 5434.0 227.510132 22.0 227.87114 20.0 228.206024 779.0 229.207306 108.0 229.548843 18.0 231.090088 23.0 233.04274 17.0 242.041214 18.0 247.120895 23.0 251.075882 90.0 252.079575 18.0 261.092041 20.0 269.146332 25.0 271.05069 18.0 294.189362 21.0 295.09433 18.0 305.065125 22.0 311.089355 26.886406 311.109741 18.0 314.133087 28.0 316.089355 18.0 324.170502 18.0 337.346558 18.0 341.428955 20.0 378.184906 19.0 379.160736 1303.637451 379.308655 18.0 380.160492 160.0 381.107056 36.0 381.159637 36.0 382.100739 18.0 383.288422 21.0 407.052429 21.0 407.246735 20.0 420.424622 18.0 423.092468 18.0 424.247467 1349.0 425.249939 226.0 425.404022 24.0 426.253113 55.0 426.371948 22.0 427.238403 26.0 427.303162 26.0 428.140076 18.0 428.244751 20.0 441.230072 17.0 471.639069 27.0 510.767456 20.0 517.952087 20.0 590.336975 18.0 954.257812 25.0 END IONS BEGIN IONS SCANS=112 PEPMASS=287.16088 CHARGE=-1 COLLISION_ENERGY=0.0 53.678627 17.0 58.064205 21.0 59.014889 20.0 62.253548 18.0 62.27153 17.0 63.354546 24.0 64.154297 22.0 67.027885 36.0 67.658195 18.0 68.859085 22.0 69.467484 25.0 71.054993 22.0 74.021194 27.0 74.807098 24.0 76.670532 18.0 78.123909 17.0 80.683762 33.0 82.031906 84.0 82.696175 18.0 83.06015 98.0 84.044708 169.908401 87.004463 31.0 87.917702 30.0 88.623749 19.0 89.023972 39.0 91.754662 18.0 94.354477 20.0 96.045097 18.0 101.005928 58.0 101.072418 267.0 104.031654 36.0 104.690269 24.0 106.047119 18.0 106.070663 21.0 109.040466 379.0 109.469437 28.0 110.022934 40.0 111.007332 17.0 113.020081 18.0 114.092323 94.0 114.999435 50.0 115.096046 61.0 117.75631 18.0 118.528969 18.0 118.610611 17.0 119.013573 17.0 120.359673 24.0 122.099228 97.0 124.666023 18.0 127.024574 21.0 127.050636 1805.0 127.114273 18.0 128.034485 287.963104 128.053604 149.217361 129.026962 20.0 129.056366 18.0 131.556061 30.0 132.102997 18.0 132.221344 18.0 136.227036 23.0 137.783875 20.0 137.89444 21.0 138.093658 40.0 139.628998 20.0 140.019943 20.0 140.106735 314.0 141.091187 41.865612 141.106598 32.72414 142.508636 19.0 145.061996 2134.0 145.127594 18.0 145.278214 20.0 146.060272 116.0 147.025162 18.0 147.070114 45.0 147.296356 24.0 148.377213 18.0 154.172546 18.0 155.950211 20.0 156.102203 241.0 157.049835 26.0 157.50798 17.0 158.11882 736.0 159.100586 70.547966 159.125778 46.0 161.07811 18.0 163.445114 53.0 164.202484 23.0 165.099945 31.000002 167.511856 22.0 167.952393 24.0 170.016479 17.0 174.021957 26.0 175.021759 42.0 176.174332 18.0 181.131226 36.0 184.138168 36.0 185.140244 18.0 185.992661 21.0 187.097061 21.0 188.051926 17.0 188.556534 20.0 190.757935 18.0 195.564392 19.0 207.143784 43.9422 207.160034 35.0 208.148529 26.0 208.648666 20.0 209.037827 17.0 209.129135 46.0 210.13858 26.0 210.743774 24.0 212.448685 20.0 215.365616 21.0 218.989868 20.0 219.075775 19.0 220.624435 18.0 221.028671 24.0 223.144409 170.0 224.149063 19.0 225.159668 1641.0 226.164001 303.794983 226.390747 18.0 227.178192 33.0 227.772995 19.0 228.162613 33.0 233.122803 17.0 233.36792 18.0 238.133453 93.0 238.229248 19.0 241.250076 23.0 242.586197 17.0 243.171936 144.0 244.169434 104.0 245.61084 24.0 247.287537 18.0 258.686646 19.0 264.44165 17.0 267.893372 22.0 269.149139 655.0 270.15332 80.0 272.961975 18.0 273.60788 30.0 274.328705 19.0 279.197754 20.0 282.162415 39.0 287.161926 3049.0 288.026459 18.0 288.164337 441.0 288.332367 23.0 289.085876 21.0 289.170349 77.0 291.091309 20.0 293.047241 18.0 297.492188 21.0 298.201843 21.0 302.25528 18.0 304.410492 21.0 305.410767 19.0 306.014618 19.0 317.255432 33.0 317.492065 18.0 317.707031 21.0 319.972015 19.0 324.839203 19.0 326.616089 20.0 328.157379 22.0 334.847137 18.0 335.605682 17.0 337.185699 18.0 339.202332 19.0 339.733429 28.0 343.461212 28.0 344.040222 18.0 345.121094 28.0 347.177063 17.0 347.71701 18.0 352.550323 42.0 372.092194 20.0 374.090057 18.0 374.343567 18.0 375.467285 20.0 379.148499 18.0 389.181488 51.0 393.101227 18.0 393.41037 21.0 400.279053 18.0 413.333008 26.0 416.666504 41.0 427.997925 19.0 457.424103 19.0 459.554199 18.0 469.322083 18.0 497.574127 20.0 504.845245 22.0 536.310364 26.0 553.145447 19.0 557.165833 18.0 564.787354 18.0 565.230713 18.0 578.667786 30.0 600.202148 33.0 600.822083 17.0 615.775757 18.0 618.230713 20.0 663.781982 26.0 668.117432 20.0 700.43689 18.0 712.29248 20.0 716.494019 23.0 782.286316 20.0 826.490723 20.0 849.364868 27.0 866.456055 18.0 869.409912 17.0 882.441406 18.0 901.420654 17.0 902.505249 18.0 941.511658 20.0 961.465271 34.0 974.558167 18.0 984.533081 19.0 986.580078 29.0 1006.132446 28.0 1031.531494 27.0 1090.545288 18.0 1114.980469 20.0 1152.566406 20.0 1185.572632 20.0 1198.429688 18.0 END IONS BEGIN IONS SCANS=113 PEPMASS=151.02565 CHARGE=-1 COLLISION_ENERGY=0.0 50.162861 20.0 50.369671 35.0 50.493782 24.0 52.276257 19.0 53.013031 18.0 53.284157 30.0 55.439968 18.0 57.9146 47.0 59.014854 17.0 64.762932 21.0 65.998482 150.0 66.315613 22.0 67.002937 40.0 71.309937 18.0 73.769173 18.0 80.026649 134.309769 81.02845 20.0 87.370308 20.0 95.109123 25.0 99.597038 20.0 99.790436 20.0 100.839523 17.0 102.265656 18.0 105.329071 19.0 106.464157 22.0 106.980705 18.0 108.019615 8874.369141 108.062859 20.0 108.212654 19.0 108.407112 17.0 108.676918 20.0 108.722969 25.0 108.998215 17.0 109.02253 707.021851 110.393814 20.0 111.02729 20.0 119.291924 18.0 121.732536 21.0 126.028084 20.0 126.907715 35.0 131.825668 19.0 133.016312 214.0 143.116516 18.0 148.06662 20.0 149.188431 18.0 151.026016 14737.861328 151.367676 24.0 151.411224 20.0 151.660431 17.0 151.940674 18.0 152.028214 827.940247 152.531601 18.0 153.033951 96.0 154.034576 18.0 155.002258 38.0 156.33049 24.0 158.247986 29.0 158.685074 26.0 160.388443 17.0 174.67926 22.0 174.795242 20.0 177.884979 20.0 182.789429 18.0 188.679764 17.0 190.011917 25.0 191.138626 30.0 192.15802 17.0 192.493027 18.0 199.279373 22.0 200.927902 23.0 208.080231 34.0 217.460159 18.0 218.302765 21.0 218.710403 17.0 221.892685 29.0 228.755829 18.0 237.160324 20.0 245.246338 35.0 260.673828 20.0 262.188568 40.0 262.392731 18.0 280.56601 36.0 290.099823 18.0 306.572479 18.0 310.11496 20.0 329.512756 24.0 345.735657 19.0 350.239624 24.0 352.905029 18.0 368.942139 18.0 374.165222 18.0 382.903595 21.0 397.611084 19.0 402.570007 27.0 406.152863 18.0 423.890289 40.0 468.430328 25.0 470.219208 31.0 512.420593 20.0 531.077209 22.0 577.629639 27.0 590.417542 31.0 646.302856 18.0 691.509766 29.0 719.270325 18.0 719.521362 27.0 1101.642578 34.0 1146.765015 22.0 1156.410889 26.0 1159.47229 26.0 END IONS BEGIN IONS SCANS=114 PEPMASS=89.02364 CHARGE=0 COLLISION_ENERGY=0.0 53.751568 20.0 57.232967 23.0 57.960667 22.0 58.902439 23.0 60.006142 17.0 60.365498 18.0 62.040573 18.0 63.338791 18.0 68.291649 25.0 69.505188 18.0 72.173241 25.0 72.370056 20.0 75.282944 18.0 75.563377 21.0 75.743187 21.0 75.818375 22.0 75.937042 25.0 77.122971 18.0 77.80529 20.0 79.39473 18.0 79.560646 22.0 80.4459 21.0 80.672691 18.0 81.387192 28.0 82.456284 20.0 83.849091 20.0 86.975349 18.0 89.024124 83.0 90.03035 24.0 90.621719 20.0 92.929512 22.0 98.609451 25.0 103.642113 18.0 104.499611 25.0 105.075195 25.0 113.020981 20.0 115.0662 20.0 116.602493 23.0 116.868668 21.0 123.730431 18.0 129.019272 30.0 130.022278 17.0 133.012863 24.0 139.076096 20.0 145.059509 22.0 158.415268 18.0 167.061371 25.0 172.946259 18.0 179.859985 18.0 187.023209 22.0 197.769058 20.0 199.077728 20.0 200.014343 20.0 212.767212 18.0 213.419724 18.0 222.400757 51.0 223.05661 33.0 229.380417 19.0 231.585495 20.0 233.018051 18.0 254.136276 17.0 254.810837 35.0 256.672546 18.0 259.062378 20.0 263.524139 20.0 264.102844 19.0 279.828827 19.0 288.753021 18.0 296.504395 22.0 297.28537 19.0 302.937683 17.0 310.214386 18.0 316.135895 17.0 327.184753 19.0 331.176819 17.0 334.521149 18.0 351.806732 18.0 351.975403 17.0 359.640472 18.0 380.127716 18.0 390.63028 25.0 399.145966 20.0 415.217926 17.0 416.210388 18.0 423.098175 40.0 442.524811 25.0 455.919556 19.0 499.222473 24.0 508.479706 18.0 546.209778 26.0 569.314392 24.0 576.401672 20.0 641.591675 17.0 682.875244 18.0 683.121033 42.0 688.492737 19.0 691.128662 17.0 705.356628 18.0 734.763184 18.0 736.391724 18.0 755.207153 17.0 774.527405 30.0 778.730774 21.0 785.176086 27.0 793.516174 17.0 837.168518 19.0 863.190735 23.0 936.480652 18.0 981.472046 30.0 987.395081 20.0 1081.564087 20.0 1087.345093 17.0 1138.543701 18.0 1178.317505 24.0 END IONS BEGIN IONS SCANS=115 PEPMASS=135.03065 CHARGE=0 COLLISION_ENERGY=0.0 50.065231 18.0 52.421112 30.0 52.529049 21.0 64.514496 19.0 65.01342 105.0 65.999229 18.0 66.01123 38.0 67.105591 18.0 68.569473 20.0 73.030479 26.0 76.018456 18.0 78.812988 17.0 79.955711 24.0 80.965561 17.0 81.948868 82.0 82.309113 31.0 91.064644 18.0 92.024818 1861.0 92.528519 20.0 93.008354 17.0 93.027679 154.659653 94.434586 18.0 94.796333 19.0 102.927284 18.0 105.718323 18.0 106.026619 63.0 107.036469 42.0 116.001526 18.0 118.855247 18.0 133.015289 45.0 134.048874 36.0 134.895569 34.0 135.031006 1858.0 135.891693 20.0 135.971695 44.0 136.031952 81.0 136.395523 18.0 136.991562 18.0 137.032089 18.0 138.017456 41.0 142.260559 34.0 142.731277 20.0 151.025711 38.0 152.02272 20.0 152.03717 19.0 162.66275 35.0 177.527328 18.0 177.760696 18.0 181.743683 25.0 208.980911 19.0 212.573807 31.0 214.029221 21.0 246.439362 23.0 267.429688 18.0 271.160187 19.0 274.181732 28.0 293.352692 30.0 302.054108 22.0 311.438629 29.0 315.084351 24.0 318.009674 24.0 329.42688 18.0 334.22995 18.0 336.793671 26.0 342.110779 19.0 344.473267 22.0 368.120026 17.0 369.911591 24.0 414.726654 26.0 437.271515 18.0 439.058563 17.0 461.913727 17.0 465.266663 20.0 476.165375 18.0 476.722015 18.0 487.602386 18.0 505.295715 17.0 521.533203 20.0 545.175537 18.0 720.666504 19.0 797.651123 18.0 823.678711 24.0 1103.677124 18.0 1170.93811 20.0 1178.059082 28.0 1185.672485 19.0 1189.543701 25.000002 1198.292847 18.0 END IONS BEGIN IONS SCANS=116 PEPMASS=299.07637 CHARGE=-1 COLLISION_ENERGY=0.0 50.624233 24.0 51.390137 19.0 56.994843 18.0 57.031925 18.0 59.013359 618.0 59.038811 22.0 60.589485 20.0 61.016857 25.0 63.205959 22.0 64.631302 18.0 71.013268 388.0 72.016716 40.0 72.057266 26.0 73.029045 21.0 73.039368 18.0 74.031822 18.0 76.538567 17.0 79.955963 22.0 80.11235 34.0 81.510445 19.0 83.014984 17.0 83.755928 18.0 84.975792 21.0 85.030777 97.0 86.032921 20.0 87.010201 39.0 89.023773 989.0 90.027542 17.0 91.026382 39.0 91.46888 21.0 92.024689 55.0 93.032494 297.098145 94.039452 24.0 95.012222 57.0 97.029015 18.0 97.065262 30.0 98.08519 18.0 99.554626 22.0 99.92701 21.0 101.005478 24.0 101.024178 759.0 101.565002 20.0 102.025093 56.0 106.825089 18.0 108.158104 21.0 108.998322 54.0 109.064468 18.0 113.024673 670.0 114.02713 19.0 117.018097 18.0 117.880554 21.0 118.041847 20.0 119.033783 431.0 121.030289 38.0 127.075447 26.0 129.083908 19.0 130.051086 19.0 130.236237 20.0 131.029541 18.0 133.005585 23.0 133.024918 18.0 133.130249 18.0 134.210617 24.0 134.402786 18.0 135.042526 158.0 136.017166 275.0 137.023865 2554.919678 138.025146 266.0 139.025146 18.0 139.782654 22.0 141.138657 18.0 143.021759 18.0 143.04158 29.0 143.747849 18.0 143.88295 18.0 143.926727 19.0 144.92598 38.0 145.014267 38.0 145.976654 18.0 147.045563 18.0 147.99115 20.0 151.039169 425.0 152.041595 46.0 162.044357 18.0 163.040436 40.0 164.128906 20.0 165.026428 40.0 165.986633 19.0 167.949875 18.0 167.970367 41.0 169.487534 18.0 169.623871 20.0 173.024796 32.0 177.699799 18.0 179.03508 1451.233765 180.037354 162.0 183.01712 17.0 183.101288 21.0 184.00383 20.0 185.858948 18.0 186.077591 27.0 187.366608 20.0 189.024826 23.0 191.051712 18.0 192.033463 18.0 198.707245 18.0 208.046371 27.0 209.047745 87.0 210.002884 20.0 210.040314 34.0 211.318863 22.0 213.99675 20.0 217.391602 18.0 217.467926 17.0 218.996643 21.0 239.056549 464.0 240.060074 63.0 240.479645 24.0 240.518738 18.0 241.062103 18.0 241.874237 24.0 242.647751 20.0 247.623138 21.0 255.228348 36.0 257.587952 20.0 271.551422 24.0 274.041534 17.0 281.138489 27.0 298.100922 18.0 298.155548 62.0 298.255951 22.0 298.295013 20.0 299.076904 2049.0 299.148712 37.0 299.256042 60.0 300.082672 260.0 300.98996 20.0 301.080536 20.0 301.156799 17.0 301.175781 21.0 302.086273 29.0 316.40567 19.0 359.274689 20.0 368.276947 18.0 442.646637 18.0 477.892609 17.0 508.299011 22.0 792.502441 22.0 939.181152 17.0 992.386963 18.0 1027.29834 18.0 1106.549927 23.0 1113.621826 41.0 1115.584473 18.0 1130.330444 28.0 1153.628052 25.0 1168.525391 18.0 1175.856079 18.0 END IONS BEGIN IONS SCANS=117 PEPMASS=305.0694 CHARGE=0 COLLISION_ENERGY=0.0 51.125397 25.0 52.533539 29.0 56.447285 22.0 56.874413 22.0 61.987785 198.0 62.323086 18.0 62.867363 25.0 63.109932 18.0 63.939819 18.0 65.63118 22.0 69.708549 18.0 71.01284 71.0 73.029076 17.0 74.026512 20.0 79.009743 23.0 81.033073 30.0 83.047157 31.0 83.641731 17.0 85.012215 28.0 85.028702 37.0 85.064423 17.0 85.996445 18.0 88.006393 22.0 88.039719 35.0 88.986053 19.0 89.006516 20.0 89.024605 170.0 89.743942 17.0 95.16317 17.0 96.440041 20.0 97.03949 18.0 99.008369 70.0 99.053513 34.0 99.093674 17.0 100.935265 27.0 101.019768 27.0 106.030754 23.0 109.027977 57.0 109.404305 18.0 111.079514 18.0 112.008926 18.0 112.785835 20.0 113.011513 41.0 114.024834 256.0 114.047783 18.0 114.988609 33.0 115.004807 124.412949 115.020836 696.587036 115.048347 19.0 115.978004 18.0 115.995552 42.0 116.022423 38.0 116.925392 23.0 117.022255 21.0 117.049721 18.0 117.474915 18.0 117.924103 23.0 118.017685 22.0 122.534157 21.0 125.022919 41.0 126.026108 18.0 126.94799 43.0 127.038467 99.0 127.87336 18.0 127.913673 20.0 129.020035 19.0 131.035706 21.0 132.035477 107.0 134.037842 18.0 135.00679 21.0 138.189819 27.0 139.020935 43.0 139.932907 18.0 141.017944 22.0 141.042618 20.0 141.066864 58.0 142.027832 21.0 142.051529 29.0 143.036392 43.0 144.049728 27.0 153.014801 46.0 153.397354 26.0 156.039001 81.0 157.032104 301.0 158.885117 18.0 158.938065 25.0 159.010895 25.0 161.024231 20.0 166.050125 20.0 167.943604 20.0 169.035736 17.0 171.063065 18.0 172.046982 23.0 173.026108 45.0 173.059464 19.0 173.990967 33.0 178.049332 19.0 182.935928 21.0 184.316345 18.0 184.4655 20.0 185.024384 42.0 186.046387 284.0 186.809998 18.0 187.040955 2212.019531 187.226242 18.0 188.046875 256.0 189.040405 24.0 189.068192 178.733612 190.054352 20.0 190.068924 20.0 191.047409 17.0 191.078964 22.0 196.990417 21.0 199.046082 20.0 200.04422 21.0 203.953568 26.0 211.014618 18.0 215.032669 20.0 215.978455 24.0 221.119934 25.0 223.829697 20.0 225.955856 35.0 226.034363 17.0 227.908798 18.0 228.358231 25.0 233.051559 33.0 239.30574 18.0 243.097321 18.0 245.050705 47.0 245.24855 18.0 252.11377 20.0 254.961868 17.0 258.072449 140.0 258.405121 18.0 259.062744 548.0 259.959808 19.0 260.026672 20.0 260.067657 92.0 261.09079 31.0 265.992126 20.0 275.056854 21.0 276.08609 39.0 278.080902 20.0 287.06839 57.0 291.06778 18.0 297.802582 22.0 298.088013 18.0 304.077942 133.0 304.956879 18.0 305.069702 663.0 305.180511 87.0 305.950195 18.0 306.059509 32.405876 306.078033 70.944939 306.139893 18.0 307.045776 27.0 307.072815 18.0 307.160675 38.0 307.203796 18.0 308.172363 29.0 309.173462 20.0 327.332153 19.0 348.025909 22.0 361.166473 20.0 369.061493 21.0 374.178375 18.0 403.126465 18.0 414.714539 19.0 435.954407 30.0 467.144531 52.0 552.816956 19.0 644.506714 18.0 738.743591 31.0 758.491394 22.0 783.662964 21.0 787.544312 18.0 788.536987 17.0 792.180115 17.0 833.253784 30.0 864.604431 18.0 942.29187 21.0 1040.438843 17.0 1122.462158 17.0 1164.41626 18.0 1196.729492 18.0 END IONS BEGIN IONS SCANS=118 PEPMASS=279.03816 CHARGE=-1 COLLISION_ENERGY=0.0 73.948082 18.0 74.572029 19.0 79.961143 24.0 82.029091 131.0 82.95903 20.0 83.033516 18.0 97.068123 17.0 106.036415 22.0 107.90065 18.0 108.043266 22.0 110.024605 665.0 110.435448 22.0 111.019455 680.0 111.491905 24.0 112.005508 22.0 112.02224 23.0 112.540024 19.0 116.927437 42.0 119.919464 20.0 122.026573 62.0 124.035439 33.0 131.104507 17.0 132.033203 64.0 140.034119 101.0 141.041031 17.0 147.049942 18.0 149.825043 18.0 152.039886 270.320374 153.028412 234.655823 154.213913 20.0 162.895081 22.0 163.911331 18.0 180.809433 22.0 182.035751 22.0 183.947067 18.0 187.0242 21.0 190.910217 18.0 193.004166 28.0 193.883072 18.0 197.599182 17.0 200.055847 567.0 201.056564 90.0 204.941986 46.0 207.846207 18.0 209.038162 17.0 209.116608 18.0 216.928635 19.0 216.979462 22.0 219.837723 35.0 221.848938 18.0 234.118774 19.0 234.936417 38.0 239.141983 18.0 240.344406 19.0 243.061691 2180.0 243.827484 17.0 244.060501 208.0 245.069992 46.0 245.139816 18.0 263.87561 30.0 279.040924 92.0 280.894775 18.0 281.039246 68.0 538.095642 18.0 863.572205 20.0 END IONS BEGIN IONS SCANS=119 PEPMASS=495.11753 CHARGE=-1 COLLISION_ENERGY=0.0 51.968079 30.0 56.041458 18.0 69.631134 23.0 79.032478 24.0 85.025665 24.0 89.025406 17.0 92.356422 20.0 94.980186 18.0 99.421867 22.0 100.002937 108.0 104.030731 27.0 108.047897 19.0 110.875511 18.0 111.019684 7424.0 111.140999 17.0 111.280022 18.0 112.023247 582.0 112.071556 18.0 112.43615 20.0 113.024963 103.0 113.653877 20.0 116.01992 20.0 118.276543 18.0 119.609741 18.0 122.036316 24.0 123.044601 75.0 132.644302 21.0 136.051773 22.0 139.644592 18.0 140.080856 17.0 144.465927 18.0 149.024307 18.0 152.999405 23.0 154.263153 18.0 157.01149 18.0 158.034836 30.0 164.032043 22.0 165.045258 26.0 166.02858 20.0 172.047913 25.0 173.185638 19.0 177.035965 18.0 180.067337 69.0 182.049545 22.0 191.022141 18.0 192.067551 95.0 198.044678 30.0 199.036285 17.0 200.048828 18.0 205.050201 18.0 206.044235 83.0 207.016968 17.0 207.047211 22.0 207.10704 18.0 210.082596 18.0 211.129974 17.0 218.981689 21.0 224.055618 253.0 225.055054 76.0 227.030685 21.0 240.059723 26.0 241.053024 63.0 241.105103 18.0 243.058838 37.0 244.064743 24.0 249.692627 21.0 251.13678 21.0 252.089249 18.0 253.093796 17.0 254.066742 1248.258179 254.324265 18.0 254.799805 19.0 255.040436 20.0 255.069153 56.0 256.238739 18.0 260.959564 18.0 261.080627 17.0 265.137634 18.0 269.056061 18.0 269.877838 18.0 270.067047 1013.64978 271.063354 4666.134277 271.997437 18.0 272.068268 531.0 273.070068 176.0 274.071472 23.0 276.179382 17.0 278.797058 20.0 283.082855 21.0 289.017792 20.0 297.239044 20.0 298.249176 19.0 311.179443 19.0 312.17041 40.0 314.206818 47.0 314.981995 18.0 315.020111 20.0 321.06897 17.0 325.074402 18.0 327.185638 20.0 329.061493 18.0 335.690399 20.0 339.097809 32.0 340.080841 20.0 351.223267 17.0 361.192963 18.0 375.127563 18.0 382.095673 521.0 383.089813 1982.284424 383.15509 41.0 384.090637 392.090179 385.087463 75.0 411.918579 26.0 417.245117 19.0 418.107117 17.0 450.301971 18.0 452.287445 21.0 453.101257 20.0 459.108978 38.0 473.283386 22.0 475.84906 22.0 482.425659 20.0 494.119049 260.0 494.284637 54.0 495.117859 1510.650757 495.215332 24.0 495.28067 64.0 496.118195 574.0 497.124603 80.0 497.28241 18.0 498.128754 19.0 499.124542 18.0 512.025208 18.0 635.213806 27.0 656.182739 22.0 661.233093 27.0 669.99823 18.0 677.830566 27.0 717.453003 22.0 733.485413 18.0 758.484863 49.0 759.514221 18.0 760.528381 21.0 761.523743 20.0 762.514404 20.0 768.405945 20.0 774.351074 18.0 785.515747 17.0 786.526489 18.0 787.241394 18.0 789.543762 18.0 804.112976 24.0 830.501404 18.0 831.492615 30.0 833.504822 39.0 834.516724 39.0 835.525208 19.0 841.188965 22.0 855.489685 18.0 859.546082 44.0 867.535278 20.0 870.466919 18.0 903.091736 17.0 910.409851 27.0 925.445068 52.0 933.442078 23.0 953.501282 18.0 963.598145 22.0 977.541199 18.0 1002.555725 17.0 1049.953613 19.0 1052.550415 18.0 1082.555786 18.0 1096.037231 19.0 1149.392578 44.0 1158.338501 18.0 1184.154541 24.0 1184.490356 19.0 1195.606689 18.0 END IONS BEGIN IONS SCANS=120 PEPMASS=200.05597 CHARGE=0 COLLISION_ENERGY=0.0 51.025379 18.0 52.840649 29.0 55.276283 18.0 61.985744 17.0 62.262882 26.0 64.345985 26.0 65.46402 19.0 66.566673 20.0 68.066757 21.0 78.272652 26.0 82.029709 57.0 83.014694 20.0 83.931335 36.0 84.045845 20.0 85.740646 28.0 87.007866 45.0 89.023956 78.0 91.057411 22.0 94.605316 18.0 95.033897 28.0 97.396706 19.0 99.003967 18.0 99.926086 39.0 100.369926 23.0 100.92292 18.0 107.835808 29.0 110.023483 115.0 110.947624 23.0 111.244308 17.0 111.940399 18.0 113.022316 20.0 113.054787 18.0 114.020485 19.0 114.937691 39.0 114.990028 18.0 118.168198 29.0 119.055168 31.0 122.026413 78.0 125.031502 54.0 125.958397 18.0 127.020866 24.0 127.039818 24.0 127.957512 18.0 129.04982 18.0 129.928726 19.0 130.986633 24.0 131.049347 18.0 132.024765 20.0 133.094604 27.0 136.038773 23.0 136.976837 17.0 139.114883 43.0 140.038574 23.0 141.004303 18.0 141.598801 18.0 142.926239 21.0 143.015854 19.0 146.47641 17.0 149.514893 18.0 151.998062 25.0 154.027679 20.0 155.029892 25.0 155.952759 76.0 156.94809 78.0 157.065094 19.0 157.07695 20.0 157.931763 18.0 157.965668 20.0 159.885574 18.0 174.011047 20.0 175.019669 21.0 185.059128 18.0 187.057831 24.0 195.096832 38.0 198.747757 22.0 199.005646 18.0 199.033051 32.341534 199.04863 20.0 201.004425 20.0 201.063934 30.0 202.032913 18.0 203.029251 48.0 215.095627 20.0 219.961197 17.0 223.660919 20.0 242.561798 19.0 243.059723 18.0 254.056458 21.0 263.566895 18.0 271.058777 55.0 271.576324 19.0 275.920837 24.0 281.037323 17.0 291.12973 22.0 297.117493 18.0 300.679474 17.0 311.177643 23.0 314.530884 18.0 326.192352 18.0 339.192871 17.0 340.540009 20.0 379.155029 27.0 387.693726 20.0 456.351562 18.0 473.128601 25.0 494.118317 24.0 495.12854 35.0 496.130981 26.0 496.238953 28.0 505.13501 20.0 523.926575 18.0 528.227112 25.0 542.073975 19.0 579.115479 18.0 585.323425 18.0 609.212646 20.0 658.023682 18.0 676.474854 18.0 701.199036 18.0 720.522156 18.0 723.234253 21.0 735.408325 20.0 752.223511 24.0 775.263184 24.0 776.527893 20.0 786.503601 22.0 838.295227 18.0 880.103699 22.0 933.301697 20.0 948.31311 18.0 964.325317 18.0 970.34021 18.0 978.313354 20.0 992.170532 25.0 997.440857 17.0 999.322021 17.0 1058.391968 20.0 1078.251587 20.0 1101.251587 18.0 1131.387085 18.0 1140.325195 17.0 1154.323853 40.0 1160.316895 18.0 1174.192993 30.0 1178.602539 24.0 1182.363281 21.0 END IONS BEGIN IONS SCANS=121 PEPMASS=243.06152 CHARGE=-1 COLLISION_ENERGY=0.0 55.0163 20.0 58.10421 25.0 59.013306 20.0 59.857964 21.0 61.81226 18.0 66.034309 530.0 66.068123 18.0 66.341682 17.0 67.031464 29.0 68.014359 60.714516 69.037605 58.0 71.012978 88.0 73.02092 18.0 76.70253 31.0 78.032822 37.0 79.95591 18.0 81.028206 50.0 81.3946 18.0 82.029129 2435.733398 83.010979 79.0 83.029915 84.0 83.932732 20.0 83.969666 52.0 84.043533 85.0 87.008423 44.0 88.977295 18.0 89.024887 94.0 90.035652 24.0 91.268379 24.0 92.019867 82.0 92.045525 20.0 94.027733 129.0 95.01268 39.0 95.039101 58.015438 95.055397 22.283121 96.04512 131.0 96.086182 20.0 97.044907 18.0 98.032883 22.0 98.066322 21.0 99.92778 104.0 101.014374 22.0 101.92276 18.0 103.918228 18.0 104.034439 22.0 106.028625 53.0 108.0075 70.0 108.046074 331.0 109.016106 59.0 109.049164 17.0 109.418289 18.0 110.023933 9931.703125 110.061745 38.0 110.164192 18.0 110.527054 23.0 110.605331 47.0 110.709808 17.0 110.720581 24.0 110.963669 18.0 111.025421 793.188782 111.082367 18.0 111.271248 22.0 111.808479 22.0 111.96357 18.0 112.025085 56.0 112.161095 18.0 112.503143 22.0 113.025291 54.0 113.741737 19.0 114.023209 39.0 115.020958 79.0 115.237244 27.0 115.504547 18.0 116.932426 29.0 117.018661 109.0 119.918953 18.0 120.045151 109.0 122.02433 884.0 123.0261 133.0 123.950577 20.0 124.040871 303.0 125.040359 56.0 126.026291 62.307392 126.048981 21.0 126.92881 30.0 127.057144 28.0 127.955231 79.0 128.031921 18.0 132.03212 62.0 133.088028 18.0 135.057602 18.0 136.001648 23.0 136.042847 36.0 137.064163 30.0 138.01712 43.0 139.062515 25.0 140.034409 1071.0 141.0354 46.0 142.046997 20.0 149.827164 21.0 149.876892 23.0 151.162552 18.0 152.03511 1731.0 153.031769 692.0 154.039017 45.0 155.086502 17.0 155.953445 172.0 156.953171 43.0 164.032303 78.0 165.035233 17.0 166.082687 23.0 170.046143 18.0 176.159149 18.0 181.018539 18.0 181.038986 18.0 182.047333 105.146812 183.041183 18.0 183.944183 22.0 186.043106 42.0 187.042938 95.0 194.079926 38.0 194.410477 30.0 197.956863 22.0 199.638962 18.0 199.976456 21.0 200.055374 2719.057617 201.009399 18.0 201.057434 285.0 202.059235 56.0 202.20755 18.0 215.04686 18.0 222.377182 18.0 223.952759 73.0 224.160141 20.0 224.87001 20.0 228.074783 17.0 236.728058 22.0 242.007904 18.0 242.078308 18.0 242.141846 18.0 243.060959 2089.0 243.159286 21.0 244.064392 206.0 245.036621 20.0 245.05545 18.0 246.006836 23.0 246.065704 45.0 248.439346 20.0 251.989868 17.0 255.230057 17.0 262.97464 20.0 265.147369 18.0 265.377045 18.0 267.05127 17.0 274.358917 18.0 277.985535 22.0 287.066895 30.0 289.231476 30.000002 297.145996 18.0 311.175903 19.0 312.170441 37.0 319.92923 22.0 380.403473 19.0 385.219971 18.0 396.944824 18.0 404.022125 23.0 410.122009 23.0 414.524689 18.0 415.329193 29.0 429.600525 18.0 481.243622 19.0 495.120941 40.0 509.217133 17.0 547.634705 17.0 567.631287 95.0 579.633789 17.0 620.211975 20.0 645.440369 18.0 657.499207 18.0 684.269104 20.0 685.106628 18.0 758.499939 20.0 759.496399 22.0 786.540161 21.0 787.523499 28.0 808.492981 18.0 824.30603 18.0 904.631348 19.0 909.513428 18.0 934.463379 52.0 966.165161 21.0 1008.499512 17.0 1013.237244 18.0 1026.184937 18.0 1060.588623 20.0 1068.460083 19.0 1103.359131 17.0 1139.25293 23.0 END IONS BEGIN IONS SCANS=122 PEPMASS=254.06651 CHARGE=0 COLLISION_ENERGY=0.0 53.209328 21.0 55.393288 22.0 56.016834 47.0 59.012127 30.0 60.994263 26.0 64.999199 18.0 69.034874 18.0 71.013901 49.0 73.616516 26.0 77.56636 20.0 79.440544 20.0 80.650032 23.0 87.901268 24.0 89.024948 93.0 91.017548 80.0 91.672066 22.0 92.658432 38.0 93.039139 31.0 96.076477 22.0 98.056732 18.0 99.006302 56.0 100.003975 795.409241 100.874969 17.0 101.020622 63.299015 101.033867 28.0 102.010246 33.0 104.033875 45.0 105.036255 49.0 107.048149 17.0 108.01963 180.0 109.024139 17.0 110.20224 20.0 111.045288 52.0 115.019768 202.0 117.589294 17.0 120.003899 18.0 120.033363 17.0 122.037971 553.007812 122.972946 20.0 123.043976 639.0 123.96344 28.0 124.047401 40.0 125.24189 17.0 125.980499 19.0 127.98391 18.0 128.92836 19.0 129.018677 18.0 130.012054 22.0 130.936646 38.0 131.017578 18.0 133.026917 18.0 133.06665 17.0 134.039993 18.0 136.016006 281.0 137.024582 20.0 139.01825 40.0 140.89653 18.0 141.97319 23.0 142.047302 134.0 145.91423 18.0 146.025864 23.0 147.033295 25.0 147.629562 22.0 150.029572 72.0 150.066681 50.0 151.040909 74.0 152.010818 18.0 154.997208 20.0 156.322922 18.0 156.901489 40.0 158.918228 18.0 162.020065 28.0 162.051208 17.0 163.00264 17.0 163.02948 24.0 163.065659 36.0 164.03299 467.238098 164.868805 30.0 164.975311 18.0 165.04126 389.680847 166.049484 68.0 167.037384 70.0 167.063034 25.0 168.030151 22.0 169.966125 17.0 172.698395 21.0 174.015991 36.0 175.024567 36.0 176.032562 271.0 177.042694 201.0 180.067993 371.0 180.345474 28.0 181.068863 37.0 186.04129 75.0 186.138107 20.0 189.042709 17.0 191.020966 247.0 192.023926 18.0 192.064972 864.0 193.037033 67.0 193.069443 60.0 194.581543 20.0 195.054626 21.0 195.418091 19.0 196.015427 53.0 196.9561 24.0 199.023148 18.0 199.847733 30.0 201.834808 18.0 205.007889 20.0 205.051071 17.0 205.952881 23.0 206.047379 321.0 206.075516 17.0 207.048553 40.0 208.029434 20.0 208.066299 46.0 209.030304 24.0 209.063141 31.0 209.967392 32.0 210.073471 39.0 211.04274 18.0 212.028168 20.0 212.918747 20.0 212.970932 22.0 213.124649 23.0 217.036652 18.0 218.341309 18.0 224.057968 543.0 225.06189 59.0 232.092453 22.0 234.326279 26.0 236.992844 17.0 237.282654 25.0 253.072708 18.0 253.116028 21.0 253.143845 25.0 254.06459 476.0 255.036591 64.0 255.069672 39.0 255.242584 28.0 256.070374 25.0 256.159271 18.0 256.203522 24.0 257.095551 18.0 259.172699 17.0 267.170532 20.0 285.15506 29.0 339.100708 22.0 339.183533 18.0 375.138062 20.0 387.21637 20.0 399.008331 21.0 413.281982 19.0 415.969513 18.0 417.516144 21.0 422.738831 18.0 435.102325 18.0 441.085663 20.0 453.150421 18.0 463.783783 21.0 465.552368 18.0 495.124664 19.0 500.151276 18.0 501.149628 20.0 509.128998 18.0 544.043762 24.0 558.119507 39.0 563.144287 18.0 576.303467 29.0 643.308533 22.0 662.350647 18.0 687.279602 18.0 696.153564 19.0 698.201172 22.0 724.157288 17.0 729.311462 21.0 730.467041 18.0 735.394958 18.0 772.258423 18.0 802.120056 34.0 816.168701 17.0 826.138916 18.0 902.818115 48.0 926.623718 18.0 929.339905 24.0 937.044067 22.0 938.406799 17.0 997.134888 17.0 1011.296204 20.0 1041.260986 23.0 1074.299072 17.0 1081.686646 17.0 1104.433716 18.0 1107.268921 18.0 1129.945435 22.0 1146.561401 22.0 1147.449463 17.0 1150.372314 21.0 1169.591797 20.0 1179.183594 17.0 1179.270142 17.0 END IONS BEGIN IONS SCANS=123 PEPMASS=441.16111 CHARGE=-1 COLLISION_ENERGY=0.0 50.375202 21.0 53.079845 21.0 55.197845 17.0 56.513371 17.0 59.012932 622.0 59.383446 17.0 59.949482 19.0 60.669441 26.0 68.382812 38.0 70.399414 26.0 71.013916 1043.0 71.552834 23.0 72.015694 17.0 73.029961 138.0 73.101105 17.0 77.024033 26.0 79.018921 74.524849 81.031059 36.0 82.04258 24.0 82.071846 33.0 82.583481 18.0 83.54998 22.0 85.026268 73.0 87.044945 22.0 87.115532 30.0 89.02375 2106.0 89.82737 21.0 89.991188 22.0 90.028419 155.0 91.89473 24.0 95.259384 20.0 96.960625 110.0 97.033829 137.0 97.495071 31.0 98.033928 18.0 99.00956 51.0 101.022438 554.0 101.060242 1681.851318 101.103203 20.0 101.510635 24.0 102.027977 98.0 102.065437 18.0 103.029243 17.0 103.150414 27.0 108.026672 19.0 111.001564 20.0 111.038666 18.0 112.014343 32.0 113.023193 312.0 115.03746 38.0 118.46508 21.0 119.030663 80.0 123.006157 21.0 125.023552 849.0 125.084297 17.0 125.786934 18.0 126.029846 18.0 128.033188 37.0 129.018677 20.0 129.103256 18.0 131.034836 1085.0 131.699402 18.0 132.309357 18.0 133.044876 29.0 133.209671 19.0 136.929321 22.0 138.984924 20.0 139.036301 86.0 143.034058 159.0 143.072372 18.0 144.039536 18.0 146.964218 18.0 149.045914 2358.545654 150.057724 168.0 151.049866 81.0 152.052002 19.0 159.033386 33.0 161.026596 19.0 166.518524 19.0 167.036453 21.0 169.014496 20.0 173.045776 39.0 173.085403 38.0 175.034103 47.0 178.207077 20.0 179.032593 18.0 185.075073 42.0 186.125015 22.0 191.055984 486.0 191.094421 18.0 192.048721 18.0 192.063644 24.141836 193.062698 38.0 193.255539 18.0 195.059586 18.0 197.05188 18.0 197.133499 17.0 213.645859 20.0 215.057663 72.0 216.359085 21.0 216.994186 20.0 217.476471 20.0 218.992554 20.0 220.14238 20.0 220.997055 48.0 221.063889 24.0 223.066681 18.0 225.866653 20.0 233.067093 395.0 234.018387 20.0 234.068802 54.0 235.046921 21.0 235.072983 27.0 247.108627 18.0 251.086914 24.0 253.452103 21.0 259.337097 19.0 265.148224 331.0 265.326477 20.0 266.154846 25.0 270.79364 17.0 275.068573 24.0 279.829926 17.0 288.830322 18.0 290.073608 21.0 292.174408 18.0 292.903107 18.0 293.086975 4037.18335 294.021393 19.0 294.043976 25.0 294.088318 472.0 294.170013 22.0 295.092041 127.0 296.096863 63.0 297.156799 17.0 299.720093 25.0 302.175018 18.0 305.059509 21.0 307.992065 18.0 308.016418 25.0 313.104065 20.0 319.065582 26.0 321.149292 19.0 327.629303 18.0 329.998962 23.0 342.34021 20.0 357.993225 18.0 358.187775 24.0 371.073303 20.0 376.167694 27.0 382.737061 18.0 395.035004 18.0 395.110809 18.0 395.156708 745.0 396.160797 152.0 397.095001 20.0 412.031769 17.0 413.272491 18.0 422.165588 18.0 423.087219 19.0 440.135498 21.0 441.15979 401.0 441.268127 55.0 442.173706 40.0 443.117737 23.0 443.170654 19.0 444.133514 20.0 444.161255 24.0 444.292786 18.0 449.004883 22.0 452.275391 26.0 467.236328 22.0 470.511017 17.0 472.516205 23.0 484.193848 28.999998 500.393402 20.0 570.204529 20.0 574.068115 31.0 580.248169 27.0 652.206604 18.0 666.062378 20.0 834.53479 28.0 917.857239 21.0 980.236389 20.0 1047.031494 23.0 1085.238647 23.0 END IONS BEGIN IONS SCANS=124 PEPMASS=386.14499 CHARGE=0 COLLISION_ENERGY=0.0 50.576187 21.0 64.385597 22.0 66.303551 18.0 73.026527 35.0 82.749153 17.0 83.927521 47.0 88.988853 17.0 89.050919 28.0 94.917648 25.0 99.945602 32.0 103.551323 19.0 110.599869 21.0 115.00148 18.0 117.013283 19.0 119.033127 23.0 122.154793 18.0 129.014862 20.0 131.090652 18.0 131.22229 65.0 133.176559 21.0 142.937759 19.0 144.920273 18.0 145.084732 20.0 149.841873 35.0 149.877853 18.0 150.043472 20.0 151.356705 18.0 154.945297 20.0 154.998932 18.0 157.049484 17.0 158.675583 22.0 160.212906 20.0 160.973755 17.0 161.042862 20.0 166.061844 18.0 170.014511 18.0 173.095596 27.0 174.898453 21.0 177.041809 69.0 178.086227 1346.0 179.094009 96.0 180.03421 17.0 180.356705 31.0 180.981216 23.0 181.975906 21.0 182.887451 20.0 182.906006 18.0 182.977325 18.0 186.006287 17.0 193.025955 25.0 197.046616 21.0 198.952957 20.0 199.948364 26.0 205.083191 18.0 207.011581 21.0 210.071701 18.0 220.428284 21.0 225.863892 23.0 226.021362 18.0 243.876953 17.0 246.014816 25.0 249.99913 18.0 252.650681 19.0 253.230484 21.0 255.122803 18.0 257.086334 21.0 260.571381 26.0 272.101105 25.0 278.476257 18.0 281.254669 22.0 283.834991 18.0 287.160461 20.0 293.992096 27.0 295.952362 47.0 297.040588 18.0 302.008026 19.0 310.030151 20.0 311.031799 31.0 311.173767 28.0 314.11615 18.0 319.097565 24.0 321.948669 21.0 339.195618 25.0 340.138763 44.0 341.177887 20.0 343.131958 20.0 344.26181 18.0 348.196564 23.0 350.19812 20.0 365.094788 38.0 367.890503 27.0 376.121155 22.0 381.059875 26.0 385.144836 39.0 385.287842 24.0 386.153046 180.0 387.14621 132.0 388.157593 41.0 402.101715 21.0 407.170502 18.0 407.396637 20.0 431.630066 18.0 443.207825 17.0 445.215088 18.0 449.093414 18.0 470.176239 27.0 473.284332 20.0 528.129211 18.0 609.190491 19.0 621.919434 22.0 656.601196 18.0 665.155334 18.0 688.496765 47.0 715.512695 22.0 716.530945 35.0 718.132812 20.0 734.895142 22.0 759.46637 20.0 787.509949 19.0 794.357788 18.0 799.555237 20.0 805.48645 85.0 806.501282 18.0 807.505615 17.0 808.511169 38.0 832.51355 51.0 833.526489 92.0 834.554077 18.0 835.503479 20.0 835.550964 18.0 858.539673 22.0 859.520691 20.0 860.558472 19.0 862.553589 74.0 864.552856 18.0 935.456055 17.0 953.48468 18.0 959.341431 18.0 960.467896 20.0 981.888367 17.0 1035.41687 17.0 1058.697021 20.0 1068.481934 18.0 1069.792603 20.0 1120.049072 18.0 1128.200928 20.0 1144.413574 17.0 1145.427856 17.0 1153.648315 21.0 1169.651733 18.0 1183.673706 18.0 END IONS BEGIN IONS SCANS=125 PEPMASS=423.09467 CHARGE=-1 COLLISION_ENERGY=0.0 55.019192 20.0 56.753155 18.0 59.013252 23.0 60.315807 20.0 61.011024 59.0 62.280499 19.0 71.014839 88.802094 73.239182 23.0 78.953163 22.0 79.01825 20.0 81.036133 97.0 81.707405 18.0 83.012901 20.0 84.013214 42.0 85.011208 188.557098 85.028244 172.0 85.315109 19.0 86.031548 20.0 87.005539 20.0 88.011665 17.0 89.005142 275.0 89.025253 17.0 90.008026 22.0 95.012817 43.0 97.026665 64.0 99.006668 116.0 99.924652 20.0 101.023285 120.0 103.018677 53.0 103.612106 22.0 104.426453 18.0 107.010307 43.708405 107.018784 19.0 109.027878 34.0 113.023834 337.475189 114.026093 58.0 115.0224 84.765839 115.408928 21.0 116.022423 24.0 125.024147 251.0 125.042847 20.0 126.024529 36.0 127.019226 572.0 128.140625 23.0 130.903641 21.0 138.02536 19.0 139.023239 18.0 140.701965 21.0 141.019699 245.013412 142.021667 18.0 142.085587 18.0 143.034363 123.0 143.998199 22.0 145.033768 65.0 147.029099 20.0 151.042465 20.0 156.034805 124.0 156.892014 18.0 157.031342 362.0 160.893524 19.0 161.048904 24.0 166.053101 22.0 167.025238 18.0 167.949921 24.0 168.032669 20.0 168.185226 18.0 169.03186 362.87561 170.037125 43.0 171.00119 21.0 171.026337 74.0 171.944839 17.0 173.024948 94.0 174.905106 20.0 181.037979 26.0 185.029648 18.0 186.039215 75.0 186.118317 25.0 186.904526 19.0 187.041321 248.590469 189.056305 25.0 189.907349 25.0 190.036423 33.0 192.067657 52.0 193.071808 17.0 199.043533 41.0 200.049484 18.0 202.947586 24.0 211.042465 17.0 214.040222 53.0 215.035736 615.0 215.075653 76.0 215.161026 20.0 216.040283 18.0 217.043076 20.0 218.031784 18.0 223.866226 18.0 224.032623 42.0 225.177475 17.0 226.958725 18.0 227.959274 17.0 228.055695 253.374542 229.052338 1185.453735 230.054657 114.0 230.762573 18.0 231.058136 43.0 232.05513 44.0 233.041458 139.0 234.115051 20.0 234.905411 18.0 243.072006 38.0 244.049652 58.0 244.924835 20.0 245.044281 83.0 246.057205 38.0 246.910385 18.0 247.972488 19.0 249.955307 17.0 252.073944 19.0 256.047852 34.0 256.100159 21.0 257.048187 39.0 258.059631 22.0 259.064697 208.0 260.061584 110.543121 265.115112 20.0 265.145752 35.0 265.203461 25.0 271.064941 184.0 273.067261 21.0 273.934265 18.0 274.062225 257.0 275.05719 2353.0 275.3797 20.0 275.928375 37.0 276.058899 273.0 276.201477 19.0 276.424561 26.0 276.916351 18.0 277.066284 141.0 278.929443 18.0 285.092499 18.0 287.048462 17.0 289.033569 18.0 289.065216 20.0 302.08905 18.0 304.070923 44.0 305.066223 395.0 306.06665 58.0 313.150665 24.0 316.069214 92.0 317.065674 327.721252 318.062622 41.0 325.187958 17.0 326.096405 17.0 330.081726 84.0 331.084473 493.0 331.855682 22.0 332.087524 88.0 333.085297 56.234245 334.094391 18.0 338.087616 19.0 339.125732 18.0 339.198029 37.0 340.194031 24.0 346.072418 20.0 348.101929 21.0 349.061859 25.0 350.017792 18.0 352.034515 19.0 362.075775 91.0 363.071014 433.0 364.078003 84.0 366.441437 18.0 376.030792 17.0 376.089233 293.0 376.265228 22.0 377.090149 1436.0 378.094574 202.0 379.099091 73.0 379.749847 20.0 381.114563 37.0 383.073669 20.0 386.913452 24.0 393.182526 20.0 394.136017 23.0 394.450897 17.0 395.103729 80.0 396.097748 18.0 396.201019 22.0 397.419769 19.0 403.143768 18.0 405.075745 18.0 406.974701 19.0 407.044342 24.0 407.941162 19.0 408.483002 20.0 421.362701 18.0 422.021423 22.0 422.098694 1773.0 423.094666 10765.695312 423.232697 17.0 423.294189 18.0 423.913879 17.0 424.098206 1956.0 424.189453 35.0 424.512115 18.0 425.101898 517.0 425.259583 113.0 426.108582 58.0 426.188324 23.0 426.230621 19.0 426.964569 40.0 428.288757 22.0 436.715515 24.0 506.516113 19.0 526.608948 20.0 539.119568 17.0 611.752319 19.0 619.294922 22.0 660.793335 20.0 712.941345 20.0 733.932678 18.0 805.49054 19.0 836.529297 17.0 991.061462 38.0 1020.534241 18.0 1050.585327 20.0 1077.24292 29.0 1097.214966 22.0 1099.010742 18.0 1152.436279 20.0 1171.485107 17.0 1172.73645 17.0 END IONS BEGIN IONS SCANS=126 PEPMASS=805.48721 CHARGE=-1 COLLISION_ENERGY=0.0 71.188972 18.0 75.018166 18.0 81.67498 18.0 89.802628 18.0 91.46537 20.0 116.926872 18.0 125.355019 21.0 145.527817 23.0 152.998444 143.0 157.04451 49.0 168.7565 17.0 171.004395 24.0 198.372955 26.0 200.098267 18.0 204.709732 18.0 215.065231 18.0 223.001495 89.0 224.004227 18.0 227.202621 20.0 241.008667 597.0 242.012405 51.0 253.217361 779.0 254.220581 17.0 255.235336 228.0 256.175476 20.0 256.235748 35.0 257.037933 18.0 257.952637 23.0 263.085693 34.0 279.230042 43.0 282.256073 21.0 288.413696 20.0 297.041718 146.0 298.046906 30.0 299.044067 20.0 300.733459 20.0 315.057983 56.0 316.610413 18.0 325.195892 34.0 330.885925 18.0 339.196716 18.0 343.753357 44.0 362.029877 20.0 363.196899 25.0 381.223877 21.0 388.010529 17.0 389.207794 366.0 390.210114 24.0 390.235016 20.0 391.219727 80.0 392.224396 17.0 400.675354 20.0 402.27417 23.0 407.204865 18.0 409.238953 20.0 410.246918 24.0 415.228333 20.0 417.241608 18.0 480.108765 18.0 514.871277 18.0 543.264954 19.0 551.129578 21.0 551.263977 371.0 552.258728 41.0 553.279602 221.0 554.177185 18.0 554.282471 105.0 570.274719 18.0 571.292053 18.0 572.289673 19.0 610.574524 18.0 648.234558 19.0 685.508972 18.0 688.529053 19.0 689.809814 20.0 697.1745 18.0 708.137573 22.0 717.531494 22.0 727.083496 25.0 744.478149 29.0 760.18219 18.0 766.291199 20.0 767.095642 18.0 788.518738 21.0 804.313721 22.0 804.477478 84.0 805.207581 24.0 805.388 31.0 805.48468 3282.725586 806.489258 1406.0 807.500488 3320.856445 808.503906 1181.0 809.38855 18.0 809.490601 36.0 815.184998 21.0 829.507751 22.0 830.05957 19.0 830.435303 18.0 831.494751 58.0 833.520569 245.0 834.523926 129.0 835.516846 135.0 837.536804 18.0 844.235535 25.0 847.483459 19.0 848.40509 17.0 848.84082 37.0 857.537354 22.0 858.518555 43.0 859.538025 59.0 860.515991 18.0 861.536804 84.0 861.725098 39.0 915.05603 21.0 927.540527 18.0 929.55011 18.0 932.523254 18.0 934.46936 18.0 941.548767 17.0 950.550476 21.0 960.362244 41.0 960.439514 18.0 961.484863 37.0 974.428467 18.0 1003.533936 22.0 1004.488037 19.0 1051.569214 18.0 1068.752441 18.0 1075.599243 22.0 1082.631226 18.0 1105.711304 18.0 1121.645752 18.0 1129.969238 22.0 1144.65625 18.0 1157.299072 37.0 1166.788086 20.0 END IONS BEGIN IONS SCANS=127 PEPMASS=808.5054 CHARGE=-1 COLLISION_ENERGY=0.0 134.992462 20.0 137.639862 22.0 152.99649 123.0 166.047638 18.0 175.975952 29.0 221.093063 24.0 223.004227 64.0 241.01001 202.0 241.683533 18.0 242.018173 18.0 244.024994 18.0 253.216461 257.0 254.2258 71.0 255.234375 293.268768 257.232056 21.0 259.014465 17.0 279.235931 29.0 283.256378 17.0 295.009521 18.0 297.041016 36.0 298.055756 23.0 325.187805 210.0 326.186066 17.0 340.080841 20.0 390.20871 48.0 391.223053 180.0 392.227417 62.0 551.254028 62.0 552.265137 36.0 553.270752 150.0 554.281738 45.0 555.279053 35.0 556.28595 20.0 558.014282 20.0 571.308289 59.0 572.289124 37.0 625.110718 18.0 674.251404 17.0 687.273071 24.0 723.805298 19.0 786.403442 17.0 796.383301 20.0 802.030029 35.0 805.533325 24.000002 807.168457 20.0 807.501099 2991.0 807.67157 19.0 807.733215 26.999998 808.503418 2521.874023 809.360168 18.0 809.510498 386.0 809.861267 20.0 810.451477 18.0 810.528687 98.0 811.535706 21.0 END IONS BEGIN IONS SCANS=128 PEPMASS=431.11893 CHARGE=-1 COLLISION_ENERGY=0.0 51.512238 22.0 52.823349 19.0 55.017921 133.0 56.999069 38.0 58.439133 20.0 59.013111 8561.289062 59.041363 18.0 59.216076 37.0 59.463478 18.0 59.564613 30.0 59.713833 22.0 59.750351 19.0 59.766666 17.0 59.829144 17.0 60.016155 230.0 60.177471 29.0 60.473522 18.0 60.515926 24.0 61.017513 81.0 62.230164 19.0 69.001984 80.0 69.032524 40.0 69.737221 18.0 69.984467 21.0 70.382881 22.0 70.715912 22.0 71.013107 7779.011719 71.045746 18.0 71.13707 21.0 71.342033 28.0 71.376114 18.0 71.872154 46.0 72.016129 258.0 72.06324 21.0 72.157654 18.0 72.536743 19.0 72.584473 27.0 72.859009 24.0 72.993591 21.0 73.016769 37.0 73.029198 293.0 78.94677 21.0 79.015251 20.0 81.298241 17.0 81.820351 23.0 83.012451 355.0 84.022621 124.0 85.02903 968.542542 86.033127 49.0 86.760651 19.0 87.008148 221.0 87.030174 38.0 87.043785 54.321243 87.733231 20.0 89.023872 13556.547852 89.081757 18.0 89.302376 20.0 89.327942 21.0 89.644485 37.0 90.026863 420.798889 90.327065 18.0 90.542145 18.0 90.716011 23.0 91.027298 65.0 91.056839 195.0 92.005852 40.0 93.033836 1099.0 93.070396 27.0 94.035118 36.0 95.012955 454.996368 95.047577 40.0 95.518761 18.0 96.016037 19.0 97.027611 222.0 98.070107 20.0 98.443047 19.0 99.00753 72.0 99.048248 48.0 99.564743 18.0 101.023582 11775.0 101.148598 46.0 101.32766 39.0 101.501312 19.0 101.791527 26.0 102.027229 604.0 102.194527 18.0 103.013435 23.0 103.032326 72.0 105.019974 139.653488 105.036232 26.0 105.067078 36.0 106.041481 17.0 107.035545 36.0 107.052689 72.0 108.037537 17.0 108.057724 20.0 109.030472 127.0 109.064552 22.0 109.951683 22.0 111.045425 64.0 111.396698 17.0 112.013382 18.0 113.024002 7519.0 113.069595 18.0 113.163277 20.0 113.356354 18.0 113.781181 18.0 114.028267 301.875092 115.004585 43.0 115.036972 35.0 115.089203 28.0 117.072464 20.0 117.325089 25.0 117.346901 20.0 119.035034 9074.442383 119.049706 2681.922363 119.100929 18.0 119.576881 18.0 119.9589 20.0 120.036858 301.988678 120.05439 582.638489 120.205185 18.0 120.552849 24.0 121.029037 8117.445801 121.065788 230.047211 121.105766 22.0 121.768791 18.0 121.786957 17.0 122.033287 1209.0 122.063293 17.0 122.104362 28.0 122.377373 18.0 123.014214 17.0 123.041466 327.400421 123.909973 21.0 124.062775 23.0 124.55632 21.0 125.021881 107.0 125.940254 17.0 126.032272 80.0 126.999107 18.0 127.039833 41.0 127.82972 30.0 128.00499 18.0 128.038544 27.0 129.033829 101.0 130.028305 24.0 130.083359 18.0 130.215073 17.0 130.724716 21.0 131.034973 930.534302 131.588516 17.0 132.031876 62.0 132.721329 17.0 133.008392 18.0 133.043823 53.0 133.066086 26.0 134.069427 18.0 135.047241 168.0 135.081238 18.0 136.045471 18.0 136.988327 96.0 137.02243 41.0 137.060684 3514.007568 137.269775 17.0 137.497818 21.0 138.064819 270.457886 138.40831 25.0 139.039703 674.0 139.062378 22.036386 139.077347 19.0 139.345093 18.0 139.684158 19.0 140.046051 126.0 140.992401 18.0 141.058472 282.0 142.054398 17.0 143.034042 1207.177734 143.558365 18.0 143.984451 18.0 144.039536 18.0 144.056244 20.0 146.034363 45.0 146.070572 18.0 146.905518 18.0 147.044601 5973.612793 147.751068 20.0 147.933533 23.0 148.048279 743.0 148.531418 20.0 148.670929 21.0 149.044907 1219.950928 149.572769 21.0 149.984528 25.0 150.032639 195.237869 150.051498 77.762138 151.038513 22.0 151.053192 18.0 151.082306 18.0 152.09288 22.0 153.009827 18.0 153.056183 106.0 153.98027 17.0 158.307098 23.0 159.031448 81.936676 159.729462 31.0 160.061096 18.0 161.044495 1439.074829 162.050354 170.0 162.271149 28.0 162.888214 18.0 163.042572 166.522018 163.077271 71.0 164.051575 45.0 164.426163 17.0 165.008865 17.0 165.023712 27.0 165.055389 17303.810547 165.124207 20.0 165.178741 20.0 165.210632 18.0 165.339294 17.0 165.378021 18.0 165.441818 20.0 165.47522 17.0 165.864868 17.0 166.001266 21.0 166.058304 1912.457275 166.486847 23.0 167.059402 81.0 167.140244 24.0 170.018433 22.0 170.122101 17.0 170.555115 27.0 173.026093 60.0 173.632233 22.0 174.033966 38.0 175.025238 23.0 175.038025 17.242777 175.327652 36.0 176.044281 21.0 176.07135 20.0 177.055908 59.0 178.044678 18.0 179.055267 2259.4104 180.021118 22.0 180.059052 212.0 180.083923 18.0 181.05249 164.0 181.097885 18.0 182.275787 19.0 183.066162 1407.94873 184.069153 159.0 184.115677 22.0 185.729797 20.0 187.116364 29.0 189.055786 337.0 190.061508 49.0 191.03447 496.0 192.034744 72.0 193.044922 42.0 195.023544 17.0 195.071396 22.0 195.126465 27.0 195.43808 18.0 200.724823 18.0 201.06221 26.0 205.101868 30.0 206.363937 17.0 207.066193 1727.0 207.358505 20.0 207.75209 29.0 208.066116 237.0 208.475357 20.0 209.043579 242.0 209.914047 17.0 210.056107 64.0 210.0755 24.0 211.965408 23.0 212.062637 22.0 212.666718 24.0 215.515625 17.0 219.056763 20.0 220.106812 22.0 221.066986 122.0 223.003815 22.0 224.146133 35.0 224.907074 18.0 224.971268 24.0 225.027222 18.0 225.076996 3219.0 226.07991 456.0 226.370636 20.0 227.077347 71.212708 229.655457 18.0 231.049149 20.0 232.789993 20.0 233.044601 537.0 234.047043 148.0 235.051651 28.0 237.043289 20.0 238.159561 19.0 239.105606 31.0 239.987518 36.0 241.119385 19.0 242.11026 18.0 248.434723 29.0 248.803604 18.0 249.038651 33.0 249.072769 18.0 250.112259 38.0 251.055542 13906.274414 251.103455 19.0 251.234436 48.0 251.360367 26.0 251.388077 17.0 252.05986 2106.0 252.195496 20.0 253.059967 274.0 253.581436 30.0 253.777267 23.0 254.066162 18.0 255.487595 18.0 262.196228 22.0 262.36319 18.0 268.124084 17.0 269.066742 2791.0 270.026062 20.0 270.069427 304.752563 271.072205 65.0 272.107178 24.0 276.217407 22.0 278.286194 20.0 284.126312 24.0 285.10614 45.0 285.80603 25.0 291.091919 18.0 293.074799 78.0 294.064911 19.0 299.600769 21.0 302.854553 18.0 305.105896 24.0 305.205505 18.0 309.099182 18.0 310.778076 23.0 311.165833 19.0 312.103302 18.0 315.163727 20.0 317.144409 17.0 321.197784 18.0 323.09668 25.0 327.108704 293.0 328.10434 23.0 334.629913 60.0 334.951324 22.0 337.256226 28.0 339.662201 20.0 342.324921 18.0 344.999664 18.0 345.122223 18.0 345.887238 19.0 346.128937 24.0 350.965607 20.0 352.196594 20.0 353.088043 150.0 363.942719 19.0 367.407349 18.0 368.147003 25.0 369.121674 40.0 371.096497 653.0 372.103394 58.0 373.102448 53.0 373.160461 18.0 384.143341 17.0 387.13681 82.0 389.109497 255.0 390.118561 36.0 391.119751 56.0 392.941589 20.0 394.499634 21.0 405.126587 20.0 407.492279 17.0 413.117889 66.0 414.119202 35.0 415.102448 20.0 415.722137 18.0 421.955475 20.0 424.01297 22.0 424.773041 40.0 424.835449 21.0 425.61499 43.0 428.693481 18.0 430.101349 22.0 430.417603 29.0 431.118896 29865.140625 431.213531 361.0 431.307129 18.0 431.358185 18.0 431.412903 17.0 431.530975 30.0 431.690796 19.0 431.847961 18.0 432.123077 7190.496582 432.203705 53.0 432.246948 17.0 432.411591 18.0 432.667511 18.0 432.938782 20.0 433.126068 1640.0 433.244751 18.0 433.622131 18.0 434.126953 256.0 435.929016 17.0 436.057434 18.0 438.756287 17.0 441.001373 46.0 446.756104 23.0 447.406464 20.0 460.809296 22.0 468.203461 20.0 480.529724 19.0 497.982422 20.0 508.070618 19.0 523.877197 34.0 546.912781 30.0 566.515503 26.0 572.35022 22.0 585.165466 22.0 617.22406 23.0 712.685486 21.0 787.471802 29.0 805.230164 19.0 832.365723 18.0 863.249634 60.0 864.239563 40.0 931.22168 18.0 966.346436 38.0 972.085571 18.0 END IONS BEGIN IONS SCANS=129 PEPMASS=494.11499 CHARGE=0 COLLISION_ENERGY=0.0 54.230686 18.0 55.186668 23.0 59.54417 19.0 61.988335 1437.0 62.469913 21.0 62.811199 18.0 62.84161 20.0 65.629097 20.0 71.013344 58.0 72.012718 17.0 73.813896 27.0 82.51329 18.0 83.014397 18.0 87.074707 20.0 88.325951 36.0 89.024399 68.0 93.547897 26.0 96.960648 20.0 101.023376 55.0 102.062248 21.0 105.016678 18.0 106.738029 18.0 107.510201 26.0 107.529907 30.0 113.023933 45.0 116.931099 18.0 119.034294 41.0 119.052177 23.0 119.187775 21.0 121.026848 17.0 124.952736 18.0 128.458923 18.0 128.592361 18.0 128.815613 23.0 128.897842 18.0 129.066788 18.0 129.260773 17.0 130.713791 17.0 138.283768 18.0 141.059357 20.0 165.0513 56.651451 166.059036 18.0 166.306351 18.0 166.941467 21.0 168.046188 20.0 168.917297 20.0 174.036316 20.0 176.048386 18.0 178.104721 18.0 180.478394 22.0 181.968979 20.0 182.451401 17.0 182.94812 18.0 184.926392 29.0 185.114975 23.0 187.026535 19.0 187.883316 21.0 188.11293 22.0 193.772598 21.0 200.317978 20.0 205.163437 18.0 207.007248 58.0 207.066513 26.0 215.752579 18.0 223.29361 18.0 225.074966 20.0 228.052612 18.0 229.054779 18.0 229.994263 21.0 232.216156 17.0 239.542892 19.0 247.074677 18.0 250.243134 18.0 251.055145 125.0 253.212921 18.0 256.777588 18.0 258.878479 24.0 265.149384 35.0 265.720306 17.0 267.110931 20.0 269.070679 21.0 270.989288 37.0 271.269135 22.0 300.611053 18.0 311.71405 27.0 313.089203 20.0 315.973724 23.0 325.093719 21.0 326.192719 18.0 328.146545 29.0 330.235229 26.0 330.899048 18.0 338.46283 24.0 351.18277 19.0 351.452301 29.0 362.870148 27.0 372.784393 18.0 379.316071 28.0 392.234436 22.0 398.226959 22.0 400.576355 51.0 407.009796 26.0 412.482391 20.0 431.120758 1606.0 432.119019 275.0 433.12674 39.0 434.126801 66.0 459.113831 18.0 465.139435 22.0 468.683563 22.0 479.145538 20.0 486.302002 18.0 493.041138 76.0 494.114838 125.0 494.272308 52.0 495.0401 43.0 495.114471 40.0 525.494629 18.0 531.051941 20.0 532.04187 20.0 540.124634 21.0 546.132751 17.0 568.283936 21.0 598.172913 18.0 634.235413 22.0 647.177551 21.0 656.187439 18.0 688.500549 18.0 706.849609 20.0 716.538879 20.0 781.283997 18.0 807.258301 18.0 807.494141 30.0 835.510193 38.0 836.545593 18.0 848.40625 29.0 863.25293 198.0 864.259338 152.0 865.261292 56.0 865.703979 18.0 867.228699 27.0 871.224792 39.0 885.238953 17.0 886.255432 19.0 887.237793 18.0 901.218018 18.0 917.143677 38.0 917.298584 18.0 918.167786 17.0 919.465942 20.0 925.1745 22.0 934.355957 23.0 974.346924 18.0 1041.33374 22.0 1048.450439 17.0 1054.183594 21.0 1108.391602 22.0 1120.952759 37.0 1122.589966 18.0 1152.651611 18.0 1162.082764 25.0 1172.204468 24.0 1176.814697 18.0 1183.913574 20.0 END IONS BEGIN IONS SCANS=130 PEPMASS=863.24663 CHARGE=-1 COLLISION_ENERGY=0.0 51.749157 19.0 55.014309 18.0 56.996284 21.0 58.713497 28.0 59.01366 1553.0 59.891026 21.0 60.018803 76.0 61.686935 20.0 66.15303 17.0 68.997551 17.0 71.012573 1031.0 72.019188 44.0 73.012344 18.0 73.02861 39.0 76.134422 20.0 83.015068 95.0 85.028633 29.0 86.513855 24.0 87.007713 93.0 88.381142 24.0 89.023933 3355.0 89.358643 18.0 90.02681 183.0 91.058357 25.0 91.168007 18.0 92.479492 24.0 93.033714 157.0 94.036354 19.0 95.016632 20.0 95.608261 22.0 96.807388 63.0 97.187088 18.0 100.379684 24.0 101.023651 2099.0 101.953163 19.0 102.028404 60.0 105.023071 48.0 106.021683 18.0 107.035034 58.0 109.027451 19.0 112.926926 28.0 113.023338 1341.0 114.027374 64.0 114.724319 26.0 115.025703 39.0 115.039291 20.0 117.065384 22.0 118.969429 22.0 119.034615 2845.431152 119.050911 487.025085 119.725105 24.0 120.038017 89.0 120.060455 35.0 121.029716 614.0 121.061188 49.0 121.075623 42.383778 121.391159 24.0 122.030586 125.624649 123.038261 21.0 125.022987 101.0 126.028931 20.0 128.03067 22.0 128.145996 20.0 129.221252 22.0 131.03334 184.0 137.058319 353.0 138.064835 100.0 139.043808 187.0 139.161499 17.0 140.767517 20.0 141.056015 36.0 143.035812 511.0 144.041351 37.0 147.044662 908.0 147.078613 17.0 148.049408 62.0 149.0466 499.250458 149.341415 22.0 150.044006 32.0 159.028549 29.0 161.044891 1067.653931 161.460434 17.0 162.048538 82.0 163.031967 18.0 163.077057 22.0 164.043961 24.0 165.05542 5783.0 165.205704 18.0 165.355316 22.0 166.058487 335.0 167.060852 57.0 167.258698 25.0 169.044724 17.0 173.498825 18.0 174.005005 19.0 174.068588 18.0 176.430725 20.0 179.054413 2161.314209 179.17511 22.0 180.06308 123.562164 181.05246 168.0 181.527206 26.0 183.065628 521.0 183.165558 25.0 184.067291 94.0 189.057419 38.0 191.034378 257.0 192.0401 18.0 193.74762 17.0 194.16922 17.0 200.056229 27.0 204.271896 25.0 205.33844 22.0 207.066895 483.0 208.080292 46.700989 209.043365 120.0 209.065109 22.0 210.054565 22.0 215.076462 23.0 219.069489 73.0 220.065002 26.0 220.493408 18.0 222.068954 20.0 223.090134 17.0 225.075912 2106.0 226.078186 438.156738 227.056366 28.0 227.084244 37.0 228.21051 34.0 233.046692 199.0 235.202408 17.0 240.829224 25.0 247.379791 25.0 249.077698 42.0 251.055557 8287.443359 251.69252 30.0 252.059601 1213.0 253.059128 171.0 253.892319 18.0 254.056564 23.0 256.237701 20.0 257.188965 18.0 257.65155 27.0 259.639313 20.0 260.611481 18.0 262.296417 18.0 269.066772 2987.0 270.067902 261.0 270.521698 17.0 270.663422 22.0 271.072296 22.0 272.079773 18.0 277.210144 24.0 278.192627 22.0 278.535736 20.0 281.257019 17.0 281.880249 18.0 282.430542 18.0 283.132843 23.0 285.028473 22.0 285.167114 20.0 293.067566 120.0 294.059143 21.0 308.609558 20.0 309.096039 41.0 321.83139 19.0 325.181915 20.0 327.109436 133.0 328.119873 90.0 329.104248 21.0 330.755859 18.0 335.657166 17.0 340.367706 18.0 342.524231 26.0 345.112 72.565529 345.134552 33.0 352.592804 18.0 353.093445 116.0 354.095154 61.0 358.886383 18.0 361.573822 18.0 365.608124 18.0 369.113892 22.0 371.097198 306.0 372.097046 92.0 373.105377 36.0 374.436829 18.0 387.131714 43.0 388.124634 18.0 389.107056 236.0 389.417358 18.0 390.115875 146.0 391.141205 24.0 396.498169 20.0 401.119629 18.0 401.595917 24.0 409.527191 28.0 411.524475 27.0 413.106415 188.0 414.096161 18.0 420.088531 17.0 424.766174 18.0 424.795654 18.0 424.929688 21.0 424.983917 24.0 425.703156 35.0 425.762787 18.0 426.473114 18.0 426.887634 18.0 427.058563 28.0 427.308624 23.0 428.280121 22.0 428.975311 46.0 429.58078 23.0 430.207336 17.0 430.418976 20.0 430.473785 18.0 430.690521 19.0 430.782379 18.0 430.892303 22.0 430.980225 39.912075 431.066132 41.894096 431.118134 126719.0 431.213226 5956.0 431.348511 121.0 431.422638 41.0 431.524963 38.0 431.742065 17.0 431.768616 20.0 431.800964 23.0 432.05722 26.0 432.122131 28443.166016 432.226074 170.707047 432.368134 52.659222 432.4375 60.0 432.504608 38.0 432.569244 17.0 432.856201 96.0 432.977142 18.0 433.014679 19.0 433.124146 6220.702148 433.25 58.417927 433.356445 18.0 433.400604 18.0 433.429749 18.0 433.542267 22.0 433.592712 18.0 433.653259 17.0 433.795532 36.0 433.832947 18.0 433.919098 18.0 434.018036 18.0 434.127869 613.323425 434.316895 48.0 434.627106 18.0 434.697388 20.0 434.968689 18.0 435.186829 17.0 435.341125 17.0 435.68573 21.0 436.028198 22.0 436.408966 18.0 437.163177 19.0 437.234772 18.0 437.319031 22.0 437.854706 21.0 438.923523 18.0 439.883148 18.0 440.269226 17.0 440.379883 32.0 441.028198 18.0 441.965942 18.0 442.165955 18.0 442.213654 26.0 443.214172 21.0 443.262054 18.0 445.008667 25.0 447.13208 18.0 447.273468 18.0 453.048859 18.0 453.093964 18.0 461.421906 20.0 467.073456 20.0 485.027771 20.0 495.565887 18.0 498.984375 23.0 501.467682 20.0 523.268555 18.0 530.228638 25.0 531.065979 22.0 559.003967 20.0 560.498962 17.0 562.471802 18.0 599.183533 18.0 602.548584 20.0 642.17981 20.0 671.577271 18.0 693.201294 24.0 697.340881 21.0 702.182373 18.0 708.815491 32.0 741.808044 22.0 745.425354 18.0 748.506592 17.0 760.094604 18.0 773.512878 21.0 777.106323 22.0 804.373718 18.0 807.493408 36.0 821.467529 21.0 829.364319 18.0 833.26416 17.0 863.248169 1269.0 863.491882 19.0 864.247681 578.0 864.429016 18.0 864.520752 22.0 864.914368 20.0 865.258667 36.0 865.525635 20.0 866.259583 19.0 867.26178 47.0 871.210754 22.0 871.301086 56.0 872.29248 20.0 873.237549 18.0 873.316345 17.0 876.201599 56.0 880.921448 18.0 885.226318 20.0 886.205872 18.0 901.206482 21.0 916.161316 19.0 917.175781 55.0 918.155396 25.0 939.379639 21.0 943.407593 17.0 966.35022 92.0 967.362915 18.0 968.336243 18.0 973.285889 18.0 998.875671 20.0 1008.331116 28.0 1031.404663 33.0 1097.806396 21.0 1145.447876 21.0 1183.314087 18.0 END IONS BEGIN IONS SCANS=131 PEPMASS=201.08768 CHARGE=-1 COLLISION_ENERGY=0.0 51.83215 48.0 57.41843 18.0 58.033306 44.0 63.284554 18.0 67.029808 22.0 67.057724 17.0 71.048485 20.0 72.044594 3283.125977 72.424583 19.0 72.519379 18.0 72.629631 18.0 73.034264 32.0 73.048332 162.0 74.024033 65.0 78.907181 18.0 78.975052 19.0 79.014999 21.0 82.02919 21.0 82.913925 34.0 83.061104 162.0 83.314651 20.0 84.045815 188.0 85.048347 18.0 85.385719 21.0 86.060127 41.0 90.304962 21.0 93.204178 19.0 95.016457 22.0 97.035248 21.0 97.05191 18.0 98.061874 148.0 99.008865 21.0 99.056274 40.0 99.918434 17.0 101.072258 380.0 102.070816 70.0 109.039719 557.0 109.631126 20.0 110.167801 18.0 111.009171 41.0 111.044022 19.0 111.330231 30.0 112.041161 40.0 112.079041 87.0 112.825119 22.0 113.94355 18.0 114.028023 19.0 114.095947 37.0 114.340118 28.0 116.075783 20.0 116.930893 18.0 117.045731 18.0 119.058708 17.0 120.007683 18.0 121.076195 68.0 121.365074 18.0 125.024734 20.0 126.670334 18.0 126.925438 19.0 127.050995 3975.037598 128.035614 751.9104 128.054459 269.0896 128.947983 21.0 129.035904 17.0 129.053421 87.0 130.046814 133.0 130.80661 18.0 132.382401 18.0 136.671539 18.0 137.071106 40.0 137.095337 19.0 139.026566 19.0 139.054672 18.0 139.086624 4387.442383 139.162521 22.0 139.501053 22.0 139.844559 18.0 140.091461 389.292786 140.279709 17.0 140.813904 21.0 141.016647 41.0 141.097275 21.0 143.660492 24.0 143.975449 28.0 145.061829 2603.370361 145.865234 20.0 146.062698 97.0 146.968521 20.0 147.06012 25.0 148.78006 35.0 151.339905 18.0 155.951645 37.0 156.101196 20.0 157.050232 22.0 157.097687 431.0 157.971573 27.0 158.101273 25.0 159.950775 26.0 161.047882 19.0 171.017136 20.0 172.010559 25.0 173.096542 21.0 183.076675 1152.0 183.106567 20.0 184.064575 160.226013 184.082184 53.773991 185.040436 89.0 185.087219 55.0 187.138824 21.0 200.847153 18.0 201.08638 2142.0 201.540802 22.0 202.090637 329.0 203.091843 76.0 203.168625 17.0 204.96907 17.0 208.735947 22.0 208.96785 20.0 216.925568 24.0 220.522247 18.0 226.676361 18.0 228.96022 18.0 236.560226 20.0 239.577957 21.0 261.053406 18.0 271.930664 20.0 273.08374 18.0 279.051208 23.0 284.07254 24.0 287.268982 19.0 293.179871 18.0 296.662659 25.0 302.001923 20.0 309.002411 18.0 312.159149 17.0 318.288879 45.0 321.924835 19.0 325.188538 38.0 326.183502 23.0 328.785645 18.0 335.002655 19.0 339.204773 92.0 341.227905 18.0 354.209351 30.0 379.189117 18.0 381.0224 25.0 388.177704 20.0 421.113861 29.0 432.011292 30.0 510.234894 17.0 524.123962 27.0 527.048767 18.0 563.215576 30.0 589.986267 22.0 634.034241 26.0 636.022339 20.0 676.199463 18.0 716.522217 18.0 744.060486 18.0 790.154114 17.0 791.315613 25.0 807.506409 17.0 835.534851 44.0 838.510315 35.0 847.977966 26.999998 1005.065979 28.0 1007.469482 18.0 1018.260925 17.0 1044.576538 20.0 1044.742188 17.0 1054.716919 18.0 1060.651489 24.0 1063.737915 17.0 1066.900391 18.0 1123.362427 17.0 1137.41687 18.0 1151.43811 18.0 1155.50415 19.0 1164.021118 18.0 1172.536011 20.0 1188.415894 19.0 1193.582031 29.0 END IONS BEGIN IONS SCANS=132 PEPMASS=181.07116 CHARGE=0 COLLISION_ENERGY=0.0 55.017727 42.0 59.012264 115.0 62.021889 21.0 64.371193 33.0 64.626945 17.0 69.035469 23.0 71.013168 387.0 71.048561 18.0 71.253731 28.0 72.399811 18.0 72.643402 18.0 73.030624 56.0 85.027199 79.0 88.034752 30.0 88.23613 18.0 89.023277 166.0 89.685982 22.0 92.0532 20.0 97.026878 39.0 99.925728 20.0 101.022896 237.0 102.023186 67.0 102.628967 23.0 108.04393 238.0 109.042755 37.0 110.754974 17.0 110.975334 18.0 112.008659 20.0 112.0961 17.0 113.028168 38.0 115.998672 36.0 118.028587 24.0 119.035164 61.0 119.051697 22.0 120.04995 23.0 123.571762 18.0 127.046387 18.0 129.030396 18.0 132.2108 19.0 136.980759 17.0 137.120255 18.0 138.015167 18.0 138.032532 18.0 138.056305 338.0 138.964172 20.0 139.057144 39.0 139.946884 32.0 145.057098 19.0 147.893616 18.0 149.273651 27.0 153.028519 20.0 156.89447 24.0 159.840363 17.0 163.056107 43.0 167.99321 17.0 170.082504 18.0 171.029312 23.0 180.840225 22.0 180.974442 21.0 181.070404 436.0 181.989182 17.0 182.008636 23.0 182.041855 36.0 182.084152 83.0 182.904694 31.0 183.977997 26.0 184.99115 20.0 187.439194 17.0 203.968292 17.0 227.816437 22.0 242.629517 24.0 243.888046 18.0 313.053589 18.0 324.131317 18.0 327.698212 18.0 352.683167 18.0 363.080811 18.0 366.704254 22.0 375.479004 18.0 391.797882 19.0 451.336121 21.0 556.614136 18.0 595.321045 19.0 613.267273 17.0 651.343933 18.0 756.466431 18.0 815.408142 20.0 875.112427 18.0 1058.616943 17.0 1127.964722 19.0 END IONS BEGIN IONS SCANS=133 PEPMASS=379.16045 CHARGE=-1 COLLISION_ENERGY=0.0 52.339344 20.0 55.347576 18.0 59.012978 184.0 60.016171 18.0 61.98542 36.0 62.532398 23.0 63.419724 22.0 64.411201 25.0 66.027824 20.0 67.232246 24.0 70.822624 19.0 71.011948 176.0 75.007851 20.0 75.621933 20.0 80.028076 20.0 80.99575 18.0 83.014694 17.0 85.034813 35.0 87.006828 20.0 89.023506 292.0 90.027893 19.0 90.489136 17.0 91.027313 18.0 92.227295 22.0 95.128159 17.0 96.419701 19.0 97.065529 20.0 98.907845 17.0 99.040985 28.0 101.022453 226.0 109.995369 18.0 111.020256 21.0 112.014107 39.0 112.606926 22.0 113.025528 153.0 115.02462 35.0 116.931107 20.0 117.523651 21.0 119.03405 94.0 120.034439 52.0 123.009529 17.0 128.035995 18.0 130.033722 17.0 131.033493 54.0 133.014099 18.0 140.323685 18.0 142.963333 20.0 143.033371 46.0 143.053848 17.0 148.072113 20.0 149.044418 145.0 151.146545 18.0 153.019653 31.999998 155.060349 24.0 157.035202 21.0 161.0466 38.0 161.908371 26.0 162.908722 18.0 165.812759 20.0 167.069443 20.0 168.036316 20.0 172.47673 18.0 175.549988 17.0 176.027008 19.0 177.030289 18.0 179.059113 97.0 180.971146 25.0 184.063126 18.0 187.066391 21.0 189.937302 18.0 191.053696 22.0 193.024628 18.0 193.096786 18.0 195.047958 27.0 199.036438 18.0 201.088608 18.0 202.119781 18.0 205.045441 19.0 206.799011 21.0 210.009537 27.0 213.011215 18.0 213.858276 21.0 215.159393 19.0 215.965805 22.0 218.937927 22.0 221.795639 27.0 224.063004 21.0 224.958618 18.0 226.157684 20.0 230.9151 18.0 231.511017 18.0 232.077255 20.0 246.084564 17.0 247.122391 18.0 248.094009 21.0 253.075378 20.0 254.014313 18.0 271.023193 25.0 272.947845 18.0 274.791107 18.0 276.08783 37.0 279.109222 18.0 280.094635 24.0 281.035919 18.0 289.952423 18.0 291.109741 28.0 301.122498 18.0 301.623718 22.0 311.157349 18.0 317.052216 168.0 318.053925 22.0 318.376007 18.0 321.506012 18.0 325.191223 18.0 332.978882 23.0 334.0065 18.0 334.081604 18.0 376.640411 18.0 378.090118 18.0 379.154419 19.0 379.998108 19.0 380.140289 30.0 381.072357 21.0 381.125732 22.0 381.229248 64.0 383.124664 18.0 389.163818 20.0 403.760742 31.0 423.216675 17.0 425.055573 28.0 432.11676 18.0 442.154755 18.0 454.348083 18.0 477.080353 25.0 480.13855 18.0 484.390839 21.0 494.459076 24.0 512.703308 21.0 525.71051 18.0 542.945679 18.0 597.21521 18.0 625.71283 18.0 627.428284 18.0 645.322693 19.0 649.701477 18.0 654.33374 18.0 670.960388 21.0 692.315796 18.0 701.188171 20.0 708.130493 18.0 708.379333 18.0 719.316467 18.0 732.137573 20.0 924.139404 18.0 961.137756 18.0 961.23114 17.0 968.232483 18.0 973.293823 18.0 1002.388733 28.0 1010.479309 21.0 1123.194336 20.0 1173.229492 18.0 1184.528931 27.0 1190.913452 17.0 END IONS BEGIN IONS SCANS=134 PEPMASS=425.16594 CHARGE=-1 COLLISION_ENERGY=0.0 51.102428 17.0 52.156002 18.0 55.018806 55.0 56.017921 20.0 56.868561 18.0 57.034615 20.0 59.012714 863.0 60.015881 18.0 66.219421 32.0 71.013618 1408.995605 72.0187 57.0 72.238258 18.0 73.027634 48.0 73.303032 19.0 73.600784 18.0 74.007317 30.0 74.033089 20.0 75.008194 24.0 79.541458 18.0 79.782211 19.0 80.966995 22.0 81.031723 17.0 83.011414 39.0 84.055229 18.0 85.029388 64.0 85.16098 21.0 87.009315 111.0 87.760757 17.0 89.024017 4048.0 89.178902 18.0 90.027565 38.0 90.171463 17.0 92.697899 18.0 95.05162 56.0 96.957108 23.0 97.018646 18.0 97.030693 94.316803 97.050369 24.0 97.151237 17.0 97.203362 17.0 99.026337 18.0 99.319458 22.0 100.932358 18.0 101.023514 2088.0 101.072372 27.0 101.531891 18.0 101.546227 41.0 101.662064 19.0 101.775269 20.0 102.028557 110.0 102.055084 27.0 103.032402 25.0 103.365829 23.0 108.384666 18.0 113.023277 891.0 114.026169 18.0 115.038033 58.0 117.493431 29.0 119.034363 1668.0 119.347778 17.0 120.034668 102.0 124.345314 17.0 125.023819 192.63588 126.000313 18.0 128.030701 21.0 129.023132 20.0 129.036545 21.0 130.08847 38.0 130.896774 22.0 131.035355 1263.0 132.036331 56.0 132.08812 20.0 133.007629 18.0 133.03624 20.0 133.370041 18.0 136.721634 25.999998 136.772415 18.0 139.004181 24.0 139.793533 17.0 141.867447 18.0 143.034775 464.0 144.034286 43.0 144.407364 18.0 146.036453 20.0 147.044403 17.0 148.630341 20.0 149.045181 3892.0 149.136948 20.0 149.845108 20.0 150.046219 243.0 151.046524 68.0 152.990784 19.0 153.482758 20.0 154.006653 19.0 154.039734 20.0 154.152313 25.0 159.067047 22.0 159.632507 18.0 161.022217 23.0 161.044968 810.0 161.082947 20.0 161.348434 28.0 162.050461 43.0 165.051895 18.0 166.060226 23.0 168.803314 19.0 169.852814 18.0 175.023926 164.0 177.989716 18.0 179.055161 2379.0 179.099442 17.0 179.744125 38.0 180.06012 137.0 180.376556 18.0 181.061722 81.0 184.965271 28.0 185.729797 20.0 187.042084 20.0 191.055466 971.279236 191.141617 20.0 192.053467 18.0 193.018616 37.0 194.059952 18.0 197.05925 24.0 197.126358 18.0 199.01149 17.0 201.078094 17.0 204.060898 18.0 205.048004 22.0 207.106812 18.0 210.971191 18.0 215.050659 43.0 216.749054 23.0 219.028763 19.0 219.649307 24.0 221.064484 122.0 222.065979 23.0 222.801041 20.0 224.465973 32.0 227.194717 19.0 228.982605 18.0 233.071793 60.0 239.080246 20.0 239.953171 18.0 240.269135 18.0 244.97403 20.0 245.090347 18.0 247.118637 2691.884033 248.123383 300.578461 248.509155 18.0 249.132523 53.0 251.080246 105.0 253.198578 35.0 254.082825 18.0 257.040344 20.0 258.020599 20.0 259.053711 17.0 259.163757 22.0 261.09024 18.0 264.072723 20.0 266.081635 20.0 275.076233 39.0 276.083588 27.0 280.092957 22.0 281.089539 58.0 282.094757 19.0 282.906677 28.0 285.554474 45.0 290.053589 18.0 293.08783 76.0 295.022552 57.0 298.065277 58.999996 303.18692 18.0 307.06308 17.0 311.104218 112.0 312.099213 22.0 314.081024 23.0 318.060364 19.0 320.130585 19.0 325.931458 18.0 326.071716 22.0 327.127319 17.0 335.109192 17.0 337.090607 19.0 339.197968 18.0 342.515015 24.0 353.131561 34.0 367.083496 18.0 373.713623 22.0 378.089661 23.0 379.078522 20.0 379.112976 36.0 379.159882 7807.0 379.375824 28.0 379.549164 19.0 379.634247 18.0 380.165833 1620.0 381.130676 18.0 381.166351 271.0 382.169403 38.0 382.306488 18.0 382.912689 24.0 384.264465 18.0 387.131897 18.0 388.145447 18.0 390.100281 23.0 391.13205 18.0 394.147308 30.0 397.182587 17.0 406.952393 17.0 409.060822 20.0 411.101379 18.0 419.599396 30.0 419.861176 20.0 424.194458 20.0 425.075073 49.0 425.163177 696.0 425.260803 20.0 426.110626 20.0 426.171051 205.0 426.273041 26.0 427.159363 143.0 427.276886 29.0 428.088318 26.0 429.871216 34.0 431.10968 20.0 477.13739 18.0 501.139526 18.0 529.187744 27.0 547.305725 20.0 557.749329 18.0 580.196899 30.999998 588.267944 22.0 611.207581 20.0 631.512024 19.0 656.208984 17.0 666.293213 20.0 669.664246 18.0 752.196228 20.0 753.118958 38.0 765.346985 27.0 771.302551 22.0 773.040466 20.0 825.215088 19.0 827.102417 20.0 871.168884 18.0 871.289368 17.0 876.181274 21.0 881.231018 17.0 897.037903 18.0 971.072571 17.0 1068.19458 26.0 1072.169678 18.0 1074.276733 21.0 1120.332764 22.0 1139.421509 18.0 1142.283447 18.0 END IONS BEGIN IONS SCANS=135 PEPMASS=415.13719 CHARGE=-1 COLLISION_ENERGY=0.0 59.011898 58.0 71.015991 65.0 73.029114 23.0 82.038002 22.0 88.991913 34.0 89.024315 76.0 98.021729 18.0 99.006905 19.0 101.021378 20.0 105.034508 18.0 111.042343 18.0 112.982941 20.0 113.020844 38.0 116.931488 45.0 119.035309 41.0 120.998466 18.0 126.990364 18.0 128.031158 158.0 129.038437 20.0 131.039719 20.0 135.044342 125.0 136.044022 20.0 137.032074 18.0 137.065765 82.0 138.042297 29.0 139.036713 41.0 147.045181 164.0 149.042755 42.0 154.01236 20.0 160.895157 18.0 161.062332 21.0 165.057816 331.0 169.022858 18.0 169.097931 26.0 179.052277 18.0 180.030151 18.0 180.976517 54.0 181.036255 23.0 183.06424 96.0 183.108734 18.0 185.911667 20.0 191.029907 39.0 196.015778 22.0 209.047867 26.0 210.125717 18.0 211.188049 25.0 217.929611 41.0 224.996826 18.0 227.981354 23.0 236.143082 29.000002 239.003693 50.0 241.093979 18.0 243.020462 18.0 243.167755 19.0 247.116989 18.0 250.150803 26.0 251.06842 18.0 257.685669 21.0 261.037201 22.0 263.975433 18.0 266.002899 22.0 271.085968 20.0 290.028259 42.0 292.106232 19.0 299.178101 18.0 302.193512 18.0 329.068359 20.0 355.16095 96.0 368.11203 26.0 371.09613 201.0 372.101562 89.0 381.147888 29.0 389.110718 68.0 390.109497 20.0 396.117065 20.0 397.950623 22.0 414.082428 22.0 415.138458 158.886276 416.136475 56.0 416.172516 24.0 417.131927 36.0 418.131836 18.0 418.221741 27.0 419.026459 21.0 441.529388 18.0 444.965729 24.0 473.585541 28.0 END IONS BEGIN IONS SCANS=136 PEPMASS=442.15577 CHARGE=0 COLLISION_ENERGY=0.0 61.987896 1366.055298 63.990513 22.0 67.780663 22.0 74.600235 18.0 80.964485 18.0 81.565201 81.0 96.957466 51.244701 96.970108 16.755297 112.997513 18.0 113.038628 21.0 116.519806 18.0 117.930679 20.0 118.99279 22.0 128.036713 169.0 135.973343 23.0 136.990509 41.0 137.022491 17.0 139.044846 49.0 146.237167 18.0 149.032715 25.0 151.738281 26.0 153.088547 23.0 155.08461 20.0 161.906662 18.0 164.044037 26.0 164.07428 30.0 167.043747 53.0 167.947449 22.0 176.980713 21.0 182.47612 18.0 186.895157 22.0 186.981461 20.0 190.053818 18.0 192.997009 18.0 199.067215 19.0 201.125397 24.0 215.995453 18.0 225.118668 22.0 232.027786 17.0 234.915268 18.0 245.079346 22.0 246.022934 38.0 265.151794 17.0 267.015778 20.0 269.159424 20.0 274.084412 29.0 275.109344 17.0 279.06311 59.0 282.079712 18.0 289.876892 26.0 291.911255 18.0 296.053101 22.0 297.524445 18.0 301.050537 18.0 303.121552 27.0 306.007904 19.0 306.51123 18.0 307.890228 17.0 310.995758 92.0 312.999878 18.0 316.166107 19.0 316.868591 17.0 317.046875 18.0 321.110474 27.0 325.089142 20.000002 325.143829 18.0 325.16922 17.0 325.283997 26.0 326.074829 20.0 327.117279 22.0 339.09079 21.0 353.165222 20.0 371.087067 25.0 371.186218 17.0 381.897369 24.0 396.20105 42.0 397.173096 20.0 397.310822 21.0 399.254944 46.0 407.893951 18.0 427.018402 18.0 441.002563 18.0 441.25473 20.0 442.141022 19.0 442.249451 19.0 443.251282 17.0 444.203918 24.0 445.204041 22.0 715.344849 26.0 762.518738 22.0 END IONS BEGIN IONS SCANS=137 PEPMASS=508.20299 CHARGE=-1 COLLISION_ENERGY=0.0 50.648102 17.0 52.357037 47.0 52.480827 78.0 59.017719 27.0 61.710476 18.0 62.412693 18.0 64.572876 22.0 66.19516 18.0 66.627716 18.0 66.721092 17.0 69.103127 17.0 69.261124 18.0 69.460541 17.0 71.020378 18.0 71.916496 19.0 72.109024 18.0 78.951851 22.0 82.026512 20.0 90.371391 18.0 91.001289 23.0 96.056107 26.0 96.969276 20.0 100.793678 19.0 101.02346 17.0 119.020882 45.0 119.042336 18.0 121.030716 30.0 122.899933 19.0 125.18367 18.0 126.150696 18.0 126.206863 18.0 126.930679 18.0 127.626823 18.0 127.849922 22.0 127.943031 35.0 128.034592 42648.0 128.087372 250.0 128.272537 25.0 128.375595 20.0 128.441452 17.0 128.591049 18.0 128.606918 18.0 128.776505 24.0 128.810043 32.0 128.879364 20.0 128.927292 18.0 128.962646 91.0 129.037537 2825.052734 129.172501 17.0 129.244308 42.0 129.364746 22.0 129.605591 23.0 129.883667 18.0 129.98111 18.0 130.038727 493.813293 130.121231 23.0 130.289993 18.0 130.45224 17.0 130.544464 25.0 131.093613 22.0 133.015121 23.0 133.836548 18.0 136.988068 101.0 137.061127 22.0 139.039597 18.0 139.078278 22.0 140.115387 22.0 142.295593 20.0 143.033585 23.0 152.011292 22.0 157.050156 18.0 160.00618 25.0 161.0401 35.0 164.06604 26.0 165.058029 46.0 171.078369 36.0 177.05127 20.0 179.03627 22.0 191.178909 25.0 191.610611 21.0 193.081696 21.0 199.073608 22.0 201.092438 38.0 201.679596 20.0 202.942688 25.0 204.064606 19.0 207.010971 21.0 208.962845 18.0 209.957321 20.0 212.967667 24.0 213.006622 20.0 213.741318 21.0 221.220108 18.0 230.989716 19.0 233.870895 18.0 235.913437 22.0 240.051193 18.0 241.012222 20.0 245.127777 25.0 247.113922 17.0 249.07457 36.0 254.066177 18.0 254.206284 20.0 259.093262 28.0 260.395782 22.0 265.143768 18.0 270.533844 25.0 273.10434 23.0 279.06308 18.0 281.123047 20.0 283.04895 17.0 283.916931 18.0 289.080505 20.0 291.153839 18.0 297.112762 18.0 297.150452 48.0 298.140717 40.0 298.964996 20.0 300.019196 20.0 300.959503 20.0 303.847534 20.0 306.052155 17.0 307.125824 29.0 311.15744 18.0 315.110138 22.0 317.054565 20.0 319.028015 17.0 319.086182 18.0 325.193695 38.0 327.188477 20.0 332.176117 19.0 334.615173 18.0 339.189819 18.0 339.895172 37.0 362.76239 20.0 369.096802 18.0 372.147888 18.0 374.811584 21.0 376.010651 17.0 376.032196 22.0 378.022919 29.0 379.033844 17.0 379.072754 22.0 380.028442 17.0 380.280487 18.0 380.975311 21.0 381.070465 35.0 385.117035 18.0 388.239014 17.0 389.582489 18.0 397.074066 22.0 399.093475 19.0 406.825745 22.0 411.225769 19.0 413.115051 18.0 427.155273 21.0 428.043274 18.0 431.116699 84.0 432.123138 39.0 434.142792 18.0 434.173737 27.0 462.168304 20.0 463.228424 53.0 465.245758 29.0 469.137665 33.0 471.031494 23.0 477.177704 43.0 479.069855 19.0 482.253571 18.0 484.604584 17.0 489.06308 17.0 492.135223 18.0 507.170074 20.0 507.236176 32.0 507.33551 18.0 508.205627 567.0 508.914825 18.0 509.204315 153.0 510.160583 41.0 510.213837 56.0 511.034607 19.0 511.133972 23.0 511.299896 18.0 517.820496 21.0 521.001587 18.0 527.890686 18.0 535.549683 18.0 538.917725 21.0 548.941284 28.0 576.129639 18.0 590.212463 17.0 605.242859 23.0 626.290894 18.0 648.186157 18.0 650.193359 18.0 652.241821 22.0 661.231689 18.0 662.179321 20.0 692.098816 19.0 697.26947 18.0 705.16272 18.0 705.329895 18.0 714.115845 18.0 741.10437 18.0 767.299927 40.0 779.291992 17.0 793.229614 21.0 821.219971 30.0 822.289185 18.0 833.441284 18.0 847.43396 18.0 880.161987 18.0 891.571716 18.0 897.107971 23.0 901.17804 17.0 905.2724 27.0 908.261414 17.0 927.206299 22.0 933.239807 18.0 952.310974 22.0 956.263733 17.0 978.262695 27.0 997.280212 21.0 1015.167053 19.0 1025.187622 29.999998 1028.327026 25.0 1057.106567 17.0 1060.177612 17.0 1067.760864 18.0 1075.085449 26.0 1111.238159 17.0 1122.120728 25.0 1125.269165 23.0 1138.276611 29.0 1141.153442 19.0 1148.488892 17.0 1160.380493 23.0 1163.238525 20.0 1176.202148 21.0 1193.737915 18.0 1197.257202 18.0 END IONS BEGIN IONS SCANS=138 PEPMASS=233.01181 CHARGE=0 COLLISION_ENERGY=0.0 70.370483 18.0 71.014091 21.0 72.992409 21.0 77.034668 22.0 79.957237 171.0 80.001701 17.0 80.418159 20.0 80.964287 122.0 81.946976 24.0 88.970024 20.0 89.038162 17.0 95.014915 50.0 95.053558 42.0 96.960823 64.0 97.944847 37.0 98.953224 35.0 99.929039 18.0 99.951942 18.0 101.026176 32.0 101.072487 17.0 102.075668 30.0 105.000069 50.0 112.007454 18.0 113.026184 19.0 113.095306 22.0 113.941978 18.0 115.003273 28.0 115.018387 71.0 116.013741 20.0 117.051987 68.981308 118.490891 26.0 118.919029 20.0 122.033607 61.0 123.045082 4539.417969 123.451042 17.0 123.924416 21.0 124.048889 322.0 124.748947 24.0 125.0513 37.0 126.944832 54.0 127.208862 18.0 128.033585 59.0 129.934586 64.0 137.017487 21.0 141.937469 68.0 142.947861 87.581734 143.019806 19.0 143.929245 37.0 143.952438 41.0 144.901871 18.0 144.955521 66.0 145.893219 38.0 147.410538 22.0 153.055603 5667.0 154.058716 596.0 154.308701 18.0 155.063004 61.0 155.301544 17.0 155.995193 38.0 157.819138 18.0 157.930969 43.0 158.065048 33.0 158.911514 35.0 158.937759 67.0 159.892273 18.0 160.905212 21.0 160.931168 18.0 161.008392 20.0 161.68338 21.0 161.887009 18.0 161.934158 25.0 163.139908 18.0 164.89119 19.0 165.587418 17.0 174.9021 21.0 179.235092 21.0 186.073761 22.0 186.929382 20.0 187.937744 39.0 189.016724 23.0 189.931122 20.0 190.911331 19.0 191.040619 48.0 214.506454 18.0 216.858704 21.0 217.035248 47.0 229.979111 21.0 232.03212 27.0 232.740463 17.0 233.011658 1522.633789 233.149673 47.0 233.853088 21.0 234.017273 258.0 234.06871 17.0 234.586395 17.0 234.919464 19.0 235.011032 59.0 236.003754 18.0 278.088196 17.0 290.63147 28.0 404.16095 18.0 455.86792 20.0 496.973267 18.0 514.075562 19.0 END IONS BEGIN IONS SCANS=139 PEPMASS=128.03475 CHARGE=-1 COLLISION_ENERGY=0.0 51.988358 18.0 52.798538 20.0 53.265244 18.0 54.652435 17.0 55.750454 21.0 58.372353 18.0 60.574402 19.0 61.1092 20.0 66.359306 33.0 68.350029 17.0 80.321869 20.0 80.476982 27.0 80.964767 19.0 82.029579 161.0 83.033485 44.0 84.047798 27.0 84.867249 24.0 108.328682 18.0 109.266136 46.0 109.649879 21.0 110.022232 35.0 112.126251 26.0 115.792122 20.0 121.224403 21.0 127.860764 20.0 128.034714 10915.066406 128.085983 19.0 128.609253 29.0 129.038239 726.244629 129.218964 22.0 129.739319 18.0 130.036407 38.0 130.145599 18.0 130.156647 24.0 131.840897 18.0 132.847214 24.0 135.33432 55.0 136.995239 25.0 148.807144 18.0 152.862823 37.0 152.883118 18.0 179.080078 22.0 186.903473 18.0 199.998016 18.0 201.097717 21.0 203.055634 18.0 207.016327 30.0 221.166382 20.0 226.048431 21.0 226.972397 19.0 227.67128 24.0 230.878937 18.0 234.856689 23.0 249.452148 20.0 264.023254 20.0 279.05365 25.0 280.056061 42.0 289.033081 23.0 297.153259 18.0 307.269012 25.0 308.910065 17.0 311.005066 17.0 311.174774 25.0 312.183014 20.0 330.020355 23.0 332.982666 22.0 339.200714 25.0 342.9888 25.0 345.51297 20.0 354.111633 22.0 384.046539 17.0 405.017822 20.0 413.089447 22.0 421.956268 20.0 452.978485 23.0 469.613647 18.0 485.071198 18.0 493.033264 38.0 527.24054 20.0 548.379333 31.0 611.312439 18.0 639.007629 22.0 654.974304 19.0 659.156067 18.0 726.040283 18.0 768.88208 22.0 805.491333 50.0 806.509521 24.0 807.500977 25.0 820.105957 37.0 825.103271 17.0 831.502808 32.0 832.494507 22.0 846.546387 20.0 917.302856 19.0 932.305969 18.0 935.72522 18.0 951.202454 20.0 957.944824 22.0 1005.921692 18.0 1025.7771 20.0 1027.025146 21.0 1035.448364 35.0 1038.847656 19.0 1050.582886 23.0 1053.660156 25.0 1135.069458 17.0 1175.864868 19.0 1184.583984 17.0 1193.341431 18.0 END IONS BEGIN IONS SCANS=140 PEPMASS=227.9599 CHARGE=0 COLLISION_ENERGY=0.0 55.328289 19.0 55.618504 18.0 69.320007 19.0 70.302856 27.0 71.195534 21.0 72.695061 21.0 73.656212 23.0 75.446815 26.0 77.184433 19.0 80.83773 21.0 82.028908 1425.0 83.010963 18.0 83.031204 66.0 83.931114 59.0 84.039032 18.0 84.940216 97.0 93.938721 39.0 95.949242 20.0 96.012756 45.0 96.1856 22.0 96.959686 18.0 97.950005 63.0 98.024391 1367.62085 98.952759 22.0 99.026253 78.0 99.926529 285.443756 100.033211 30.0 100.933022 1147.0 101.368683 18.0 101.933655 158.0 102.932854 73.0 103.941994 26.0 103.960869 63.0 109.025398 20.0 109.495361 18.0 109.933029 214.393799 110.000854 33.0 110.020737 18.0 112.933884 35.0 113.063995 30.0 116.929398 48.0 118.325645 22.0 121.970024 85.0 122.032814 18.0 125.928467 23.589766 125.940231 24.0 126.019379 1514.407959 126.974838 33.0 127.02153 57.0 127.25901 21.0 128.031982 152.0 129.040466 20.0 129.806351 18.0 129.829422 18.0 129.934433 62.0 130.725494 25.0 136.952606 17.0 137.966888 126.282547 138.093826 20.0 138.965057 40.0 139.953384 18.0 139.974609 35.0 140.828323 18.0 140.933228 18.0 140.954681 18.0 141.934814 86.0 142.087784 17.0 142.937927 75.0 143.847397 18.0 147.946259 61.0 148.952347 24.0 152.08606 21.0 153.962387 17.0 154.275879 20.0 155.035767 18.0 155.813599 18.0 155.978134 70.0 157.927139 38.0 159.635986 76.0 160.985123 25.0 163.946548 60.0 164.03511 18.0 164.942154 18.0 165.173843 22.0 165.959824 603.0 166.05043 17.0 166.287109 20.0 166.960678 145.466034 167.85585 27.0 168.141022 32.0 169.937729 60.0 170.175491 28.0 170.93309 37.0 179.943832 27.0 181.953735 767.0 182.953964 140.0 182.993286 17.0 183.971893 189.600891 184.13829 26.0 185.032272 36.0 185.119568 18.0 185.938507 17.0 186.935165 21.0 187.071426 34.0 187.792221 21.0 191.034149 22.0 191.93663 235.0 192.943436 18.0 193.928772 21.0 201.090866 33.0 202.129761 20.0 203.032104 18.0 207.874649 18.0 209.949753 801.121704 209.990295 18.0 210.046402 37.0 210.949936 91.0 211.01709 17.0 211.957947 21.0 215.047668 20.0 221.973984 20.0 227.961105 388.059265 228.963989 102.0 229.111526 18.0 229.927841 20.0 229.957031 18.0 230.15451 17.0 230.959076 18.0 231.082001 18.0 231.928421 18.0 241.111923 18.0 249.996078 18.0 250.537445 18.0 256.933411 20.0 270.139313 17.0 279.062836 37.0 280.065277 17.0 284.074219 44.0 298.166107 18.0 309.987701 17.0 311.158417 18.0 319.731537 24.0 326.179047 21.0 334.268799 20.0 337.348907 17.0 340.212921 23.0 340.872894 23.0 392.165955 18.0 420.992706 18.0 423.785309 18.0 453.047821 22.0 472.908264 20.0 497.035736 26.0 501.172394 18.0 518.420959 17.0 520.828674 27.0 539.34436 18.0 553.319519 20.0 565.298889 34.0 575.227783 22.0 607.922058 34.0 638.762207 18.0 663.236206 19.0 716.523743 23.0 796.084839 18.0 828.17572 18.0 836.539673 19.0 861.237488 24.0 867.386597 20.0 870.157104 20.0 902.180298 24.0 1021.676575 18.0 1025.462646 18.0 1036.217285 39.0 1037.160767 17.0 1042.622925 18.0 1071.02002 27.0 1083.640869 19.0 1085.301636 17.0 1088.757202 27.0 1089.564087 20.0 1091.0354 19.0 1098.401733 18.0 1100.028687 18.0 1132.229126 18.0 1154.949585 17.0 1159.410522 20.0 1176.001343 18.0 1192.149414 25.0 END IONS BEGIN IONS SCANS=141 PEPMASS=279.0592 CHARGE=0 COLLISION_ENERGY=0.0 54.966316 22.0 61.001625 20.0 82.028709 22.0 83.931648 30.0 89.022278 26.0 96.957115 45.0 99.925087 35.0 100.93808 21.0 103.440147 17.0 105.535973 22.0 108.244354 20.0 115.001862 20.0 116.926704 18.0 122.067741 22.0 122.616249 24.0 126.937897 24.0 128.035049 6295.0 128.310669 18.0 128.599838 18.0 128.874451 20.0 129.038086 338.0 129.153366 19.0 129.243164 18.0 130.040863 26.0 132.02887 18.0 132.472275 18.0 135.835403 18.0 142.924133 22.0 148.950974 18.0 149.79454 18.0 150.013412 17.0 155.952103 98.0 163.035736 18.0 164.956131 20.0 166.007645 20.0 166.962662 18.0 167.165176 18.0 167.953476 19.0 177.965515 21.0 178.967941 21.0 189.95163 20.0 191.076218 20.0 192.969421 25.0 193.977402 27.0 194.964035 208.0 195.005005 21.0 196.983444 18.0 205.376236 20.0 205.860962 18.0 212.346451 24.0 212.976654 18.0 215.050354 39.0 216.946762 18.0 221.006271 26.0 222.554214 19.0 225.048248 18.0 225.935211 18.0 234.998932 24.0 236.001709 17.0 262.012451 18.0 269.067322 18.0 278.009949 18.0 278.17923 20.0 278.6362 28.0 279.061951 461.0 280.043091 31.0 280.138336 20.0 281.062531 35.0 281.112335 64.0 281.180084 38.0 281.242493 22.0 415.78241 18.0 448.686401 22.0 1002.725891 21.0 END IONS BEGIN IONS SCANS=142 PEPMASS=338.10879 CHARGE=0 COLLISION_ENERGY=0.0 69.758034 20.0 72.99115 18.0 79.956253 18.0 82.028648 71.0 83.93187 114.0 85.030502 22.0 85.394035 18.0 87.04438 20.0 89.022514 24.0 94.942078 18.0 95.68634 18.0 96.956932 38.0 100.925018 25.0 101.024162 18.0 102.933105 27.000002 111.935837 17.0 113.022583 27.0 115.023247 19.0 116.930672 66.0 117.932144 29.0 119.038933 23.0 120.960457 17.0 127.028313 20.0 128.03447 35062.042969 128.085571 88.0 128.239578 18.0 128.441223 27.0 128.658524 18.0 128.687714 22.0 128.989594 18.0 129.038284 2571.0 129.406387 18.0 129.554565 18.0 129.94751 18.0 130.040527 298.0 130.08728 18.0 130.272278 20.0 130.285492 22.0 130.318939 17.0 131.036926 38.0 131.071594 22.0 131.096191 17.0 131.636871 17.0 132.242981 28.0 132.407303 18.0 132.917984 18.0 132.991089 18.0 136.991257 18.0 137.589767 28.0 144.996292 20.0 145.89032 18.0 148.958298 100.0 149.957626 35.0 164.980225 39.0 166.05452 19.0 166.97023 269.0 167.96521 62.0 171.065186 42.0 171.101028 18.0 174.987671 18.0 176.955093 22.0 178.902405 18.0 178.965363 23.0 180.114258 19.0 181.074234 91.0 181.88205 22.0 182.966614 18.0 183.009918 302.0 184.012283 35.0 185.962448 22.0 188.069214 35.0 193.95079 22.0 194.965225 84.0 197.028824 42.0 198.032257 21.0 201.938629 20.0 202.850967 34.0 203.957962 56.0 205.156982 20.0 205.95137 42.0 206.015839 30.0 207.026459 32.0 208.964722 44.0 210.955307 1283.46228 211.132401 20.0 211.951859 144.012375 213.000351 22.0 223.93486 18.0 227.07222 21.0 228.060944 30.0 235.077652 22.0 239.0681 19.0 240.181519 18.0 249.012451 18.0 257.014526 24.0 259.982483 24.0 260.977631 17.0 268.878845 21.0 277.950989 18.0 279.017365 17.0 295.998047 17.0 319.793091 28.0 323.022766 20.0 337.20163 18.0 338.11554 20.0 339.080536 18.0 339.199615 2408.068848 339.295776 38.0 340.112305 26.0 340.206543 697.618103 340.361816 17.0 341.200745 158.992737 341.304626 35.0 347.237183 33.0 348.086884 18.0 360.393372 19.0 462.588196 18.0 565.723022 18.0 END IONS BEGIN IONS SCANS=143 PEPMASS=427.12655 CHARGE=0 COLLISION_ENERGY=0.0 51.52343 27.0 53.423946 18.0 57.055092 29.0 59.212044 19.0 61.007687 24.0 66.984337 18.0 69.271126 18.0 74.989227 31.0 75.828812 18.0 78.274063 24.0 78.305901 22.0 80.964294 18.0 82.657524 18.0 96.965645 20.0 97.031792 46.0 97.672264 17.0 98.032837 18.0 99.028 50.0 100.380203 18.0 101.024643 88.0 101.071495 20.0 101.703728 20.0 107.905708 20.0 113.020096 55.0 114.022133 20.0 115.019638 39.0 116.929375 18.0 119.028778 17.0 119.547195 19.0 121.969589 43.0 125.023987 22.0 128.033798 213.0 129.733276 18.0 131.037598 20.0 131.284637 19.0 133.925674 18.0 134.238251 18.0 141.099823 21.0 141.898514 34.0 146.053436 20.0 147.901245 18.0 151.890335 26.0 155.903549 17.0 156.887589 18.0 159.453339 35.0 159.96286 18.0 160.888046 26.0 161.911697 19.0 162.041061 18.0 163.059555 95.0 164.894669 18.0 165.04953 20.0 165.072723 26.0 166.499634 17.0 166.967682 19.0 168.048996 45.0 168.066956 19.0 168.417816 17.0 170.043808 20.0 171.050156 231.0 176.236938 30.0 178.350815 20.0 183.026077 24.0 187.037933 19.0 187.959717 26.0 188.062027 93.0 189.057251 598.0 190.060257 45.0 191.079163 22.0 191.925812 45.0 202.951599 22.0 207.07103 25.0 208.059601 21.0 208.075775 36.0 210.924362 29.0 216.409927 21.0 217.046524 18.0 219.041107 18.0 219.067429 24.0 222.019867 22.0 223.036057 18.0 224.876099 17.0 227.955826 20.0 231.068115 69.0 236.982605 42.0 244.087723 22.0 245.088928 47.195484 253.000702 18.0 253.295258 22.0 256.948212 27.0 260.01474 20.0 261.078827 96.0 265.994537 17.0 276.095886 21.0 277.001984 20.0 277.103363 30.999998 279.058075 170.0 279.125732 18.0 280.056458 18.0 281.014435 25.0 291.093414 56.0 291.947266 21.0 297.012207 31.0 297.958221 46.0 297.991425 18.0 299.948486 59.0 300.90918 20.0 301.0914 18.0 310.998138 27.0 322.109497 17.0 323.072052 18.0 325.17868 20.0 329.125641 26.0 330.251953 20.0 331.044647 18.0 334.11853 521.0 335.113678 2686.725586 336.120605 260.971069 336.863617 17.0 337.046814 26.0 337.115723 20.0 337.426056 17.0 348.630859 22.0 352.126251 104.0 353.126923 348.0 354.12793 18.0 355.122925 20.0 367.683716 20.0 368.998932 19.0 371.084961 26.0 380.123047 427.860779 380.18338 18.0 381.121796 1744.0 382.125458 354.0 383.113098 66.0 383.496887 20.0 385.10025 18.0 399.134705 18.0 404.875336 18.0 406.95282 39.0 408.964966 19.0 413.496918 17.0 422.149719 30.0 426.134338 565.0 426.967041 58.0 427.054993 22.0 427.124084 3046.435791 427.234375 18.0 427.314117 56.0 428.129791 528.0 429.074036 19.0 429.125244 141.0 435.018494 19.0 440.771088 24.0 486.804626 18.0 618.417786 18.0 631.128723 27.0 670.822815 19.0 885.194641 30.0 1004.68457 22.0 1069.080688 22.0 1110.446167 17.0 1193.938965 18.0 END IONS BEGIN IONS SCANS=144 PEPMASS=510.18298 CHARGE=0 COLLISION_ENERGY=0.0 51.407265 24.0 61.986095 17.0 80.957504 20.0 84.009422 31.0 89.027657 18.0 103.164627 24.0 124.455284 24.0 126.90197 17.0 127.871696 17.0 128.03476 9410.0 128.199203 18.0 128.513199 17.0 128.95401 18.0 129.038193 884.0 130.034424 17.0 131.05011 20.0 134.345581 19.0 136.990967 41.0 151.703918 35.0 159.099686 21.0 161.055847 18.0 179.050797 25.0 188.0457 22.0 196.025711 24.0 214.159103 24.0 219.843735 18.0 261.958954 21.0 265.146973 20.0 281.079132 22.0 293.917511 18.0 311.16571 55.0 321.976501 38.0 325.199799 21.0 330.602081 18.0 341.060333 20.0 348.008209 22.0 351.955414 30.0 354.944153 18.0 358.041687 18.0 377.983856 20.0 378.903381 20.0 380.004791 18.0 380.090698 17.0 381.14328 21.0 393.068298 22.0 403.247131 34.0 418.92807 18.0 427.117493 17.0 451.20108 19.0 463.227997 38.0 463.269348 39.725231 464.228333 18.0 465.203308 18.0 466.883362 17.0 473.873657 24.0 477.270752 39.0 494.356415 19.0 499.080872 33.0 510.186127 66.0 510.281189 20.0 513.033203 22.0 513.314941 21.0 514.068298 18.0 580.164734 28.0 704.160706 20.0 762.715698 18.0 801.831299 20.0 END IONS BEGIN IONS SCANS=145 PEPMASS=428.11891 CHARGE=-1 COLLISION_ENERGY=0.0 50.242786 28.0 54.434898 29.0 54.846645 22.0 62.686443 17.0 63.790009 21.0 64.771996 19.0 65.274307 43.0 66.376572 21.0 69.116013 18.0 72.689331 21.0 75.209442 22.0 77.870399 18.0 81.283974 20.0 82.027672 39.0 82.837044 20.0 83.055077 18.0 84.046181 18.0 84.940964 23.0 86.897209 18.0 90.129684 20.0 93.030373 92.0 97.156471 18.0 103.821091 21.0 111.979767 48.0 114.905563 17.0 115.767815 25.0 119.228523 17.0 122.413254 22.0 124.001709 18.0 124.955597 20.0 125.060715 17.0 125.092606 19.0 126.164383 18.0 126.438255 23.0 126.901756 17.0 127.502983 25.0 128.035278 34893.0 128.065079 29.28059 128.086426 107.784935 128.385223 20.0 128.497009 20.0 128.799332 70.0 128.870529 18.0 128.990509 20.0 129.03862 2673.857422 129.067566 19.0 129.317749 21.0 129.464722 17.0 129.534683 44.0 129.779358 18.0 130.041199 277.0 130.085236 21.0 130.259964 21.0 131.034012 20.0 131.447174 49.0 132.044907 24.0 132.05925 18.0 132.177017 23.0 133.669083 18.0 136.99144 20.0 137.023956 539.0 138.027786 20.0 143.186493 18.0 143.244141 37.0 143.52269 19.0 148.430969 20.0 150.135284 32.0 151.049133 48.0 153.055069 17.0 153.665573 25.0 156.907516 20.0 160.474701 27.0 162.917236 17.0 165.051727 18.0 166.052032 21.0 173.927979 18.0 174.116898 22.0 180.161118 22.0 182.767868 38.0 183.069229 17.0 183.963379 18.0 188.12413 23.0 191.038177 20.0 193.072876 18.0 197.294479 20.0 197.949326 22.0 203.053787 21.0 207.016891 47.0 209.954773 24.0 210.957321 20.0 217.930252 59.0 219.988449 21.0 220.526886 20.0 226.160904 17.0 227.972321 18.0 237.070465 18.0 237.474945 20.0 238.056152 23.0 240.86705 18.0 240.952942 18.0 253.010864 18.0 255.065475 18.0 265.148499 18.0 266.009735 18.0 267.133026 17.0 276.92749 20.0 279.064026 75.0 280.058594 22.0 281.071838 21.0 296.207397 20.0 297.002045 18.0 299.080658 20.0 307.015259 18.0 309.979614 18.0 312.073853 21.0 339.017456 18.0 342.191833 21.0 345.632446 20.0 362.134369 18.0 364.912048 33.0 365.999939 18.0 369.837372 18.0 371.202637 18.0 378.088348 17.0 384.060791 31.0 398.123138 17.0 400.870087 70.0 406.068146 18.0 406.939972 31.0 410.164795 20.0 411.288605 19.0 426.960022 18.0 427.240356 19.0 428.119537 433.0 428.233978 18.0 429.122498 143.274307 430.11615 45.0 498.292206 23.0 565.238342 19.999998 599.160156 18.0 604.191467 23.0 622.149719 17.0 633.038025 21.0 635.909851 18.0 656.773987 18.0 664.08606 35.0 679.436951 21.0 846.204468 23.999998 920.768188 19.0 976.121033 18.0 1002.617859 26.0 1007.452026 18.0 1009.571594 18.0 1025.215942 18.0 1066.110229 21.0 1101.752075 21.0 1105.085327 18.0 1112.329956 22.0 1131.721436 24.0 1142.24353 28.0 1163.760498 22.0 1166.137817 23.0 1172.164795 28.0 1175.88855 30.0 1176.672974 23.0 1177.328613 18.0 1197.066528 20.0 1199.233032 18.0 END IONS BEGIN IONS SCANS=146 PEPMASS=283.0845 CHARGE=0 COLLISION_ENERGY=0.0 50.05825 17.0 53.725548 20.0 54.941372 21.0 56.849979 24.0 61.891106 20.0 63.912361 19.0 66.080994 17.0 67.505226 25.0 68.003853 23.0 71.050186 65.0 72.404007 22.0 74.311661 20.0 74.623405 18.0 75.613403 18.0 75.708038 20.0 76.343056 18.0 78.966179 36.0 85.069588 72.0 89.021461 18.0 89.096756 33.0 90.634682 18.0 91.143196 22.0 92.255524 17.0 93.846809 37.0 94.193047 21.0 94.654922 17.0 95.319717 18.0 96.959259 3639.292725 97.933922 23.0 97.956856 60.0 97.991646 18.0 98.346458 18.0 98.955658 246.0 101.108498 19.0 102.019859 21.0 102.397148 24.0 106.520401 31.999998 107.042992 18.0 113.059242 94.0 114.939171 38.0 116.28286 21.0 117.298615 23.0 117.926628 22.0 118.043236 25.0 120.546249 17.0 125.020844 17.0 127.039597 27.0 127.922043 32.0 128.034485 70.0 128.238647 20.0 128.292282 19.0 129.057953 18.0 131.084808 21.0 133.9832 18.0 135.005447 19.0 137.022858 21.0 137.060989 36.0 140.099716 21.0 143.039368 18.0 145.034363 18.0 147.111588 28.0 149.977783 19.0 150.02124 17.0 151.025024 159.0 151.928207 21.0 152.026596 20.0 153.018875 41.0 154.059662 22.0 158.847351 21.0 161.039368 17.0 164.034805 20.0 164.899887 28.0 164.99234 20.0 166.058167 19.0 166.958618 17.0 166.982529 19.0 168.985092 19.0 169.972122 40.0 178.055496 18.0 178.712387 18.0 178.819855 21.0 181.008286 21.0 181.087738 19.0 184.689194 18.0 185.118652 58.0 186.121231 21.0 190.053513 20.0 194.037704 18.0 194.966858 91.0 199.743652 18.0 200.059708 38.0 203.13063 519.0 203.564545 18.0 204.135468 151.0 209.92067 20.0 212.795837 18.0 217.246765 18.0 219.844772 18.0 221.07724 18.0 221.193863 22.0 222.915909 17.0 225.012527 17.0 226.718674 24.0 232.441315 20.0 235.372147 22.0 237.046387 55.0 238.340225 18.0 238.63913 42.0 238.864532 53.0 247.1091 18.0 254.54483 23.0 265.339966 18.0 274.034882 17.0 282.033539 25.0 282.24762 19.0 283.083618 2238.080566 284.034546 18.0 284.088348 238.0 284.72049 21.0 285.083984 195.263031 285.16864 18.0 285.700714 26.0 286.07019 19.0 286.089203 23.0 288.558441 17.0 307.062347 20.0 312.053955 48.0 325.186737 35.0 329.049011 24.0 330.743713 23.0 339.262207 18.0 341.050903 19.0 349.185486 17.0 358.940887 18.0 363.920044 22.0 387.060089 19.0 401.13385 17.0 408.057648 19.0 417.107147 98.0 417.232086 21.0 420.116852 19.0 424.978424 17.0 435.199585 19.0 450.276093 22.0 451.043457 22.0 457.830963 18.0 463.235138 19.0 490.03418 17.0 517.021301 18.0 531.585449 18.0 540.160278 20.0 545.125549 17.0 562.268921 20.0 568.916321 18.0 593.139893 18.0 621.110962 17.0 623.227356 17.0 644.207153 23.0 653.004761 22.0 661.071167 20.0 667.212646 18.0 672.15332 19.0 694.227722 18.0 697.464905 20.0 705.244385 18.0 715.266357 21.0 715.52124 20.0 728.219482 18.0 745.189453 22.0 746.106628 17.0 766.209106 18.0 766.28302 25.0 778.630005 27.0 789.101501 18.0 794.210693 20.0 797.584534 17.0 825.783569 22.0 863.197998 18.0 875.167969 18.0 918.314819 26.0 928.109619 17.0 943.278015 18.0 987.211304 18.0 1028.376709 20.0 1060.333374 17.0 1061.307861 23.0 1076.361084 22.0 1085.179443 25.0 1098.192383 18.0 1109.353638 34.0 1119.669922 24.0 1159.407227 18.0 1174.660278 18.0 1186.34021 18.0 1190.246704 39.0 END IONS BEGIN IONS SCANS=147 PEPMASS=299.07654 CHARGE=0 COLLISION_ENERGY=0.0 50.273094 38.0 50.321522 18.0 51.048248 30.0 51.089882 22.0 52.578289 21.0 52.913887 18.0 55.243412 20.0 60.251938 17.0 64.128952 32.0 67.828514 18.0 68.473686 28.0 68.651146 20.0 68.851654 24.000002 70.924706 28.0 71.014748 19.0 76.714676 17.0 78.960983 18.0 83.051987 48.0 85.035187 36.0 88.160057 21.0 89.021858 17.0 92.024094 58.0 93.033745 4577.0 93.505852 37.0 93.735077 20.0 93.800835 19.0 94.03791 261.0 94.55954 21.0 94.89444 18.0 95.040962 34.0 96.761879 25.0 101.605057 20.0 102.028824 22.0 106.119621 24.0 112.005997 49.0 113.029999 33.0 113.661125 18.0 113.942932 20.0 114.900948 18.0 115.228958 22.0 115.544128 20.0 116.933357 23.0 123.360527 18.0 125.387619 33.0 128.032791 42.0 130.087509 18.0 132.929962 29.0 133.012863 18.0 135.111008 18.0 135.244095 17.0 136.994415 41.0 137.024155 9132.006836 137.319229 34.0 138.027679 760.0 138.205673 18.0 138.416824 20.0 139.029144 80.0 141.868362 21.0 142.927979 21.0 146.822708 21.0 147.009598 27.0 147.064606 18.0 148.961685 44.0 149.055496 18.0 150.029709 26.0 152.896347 18.0 156.894745 20.0 157.055008 20.0 165.00766 18.0 167.982224 18.0 168.023117 18.0 169.056168 18.0 169.743256 18.0 179.028702 17.0 179.981079 49.0 183.011658 72.0 184.017853 19.0 185.49826 18.0 188.056763 23.0 189.966461 24.0 195.972595 18.0 201.667725 22.0 204.154602 19.0 204.842102 18.0 210.908493 29.0 216.757797 17.0 223.029709 20.0 224.224152 18.0 227.070312 20.0 227.957153 20.0 229.159348 34.0 229.196716 22.0 229.327332 22.0 233.713501 18.0 235.912888 20.0 237.961212 18.0 238.88089 20.0 240.976334 22.0 241.05751 18.0 242.027542 30.0 244.087585 22.0 245.756531 18.0 245.883926 18.0 248.444199 17.0 251.008072 19.0 254.840851 22.0 254.900162 17.0 255.106247 20.0 255.932556 20.0 256.042053 21.0 257.03186 22.0 266.44458 18.0 270.369629 18.0 279.49646 21.0 279.726074 29.0 282.014984 23.0 282.763428 30.0 282.994354 30.0 288.15036 18.0 288.989044 18.0 297.987213 18.0 298.068909 18.0 298.154083 68.0 298.976929 18.0 299.076508 54.0 299.15332 120.0 300.40625 23.0 301.001312 18.0 301.194733 46.0 302.116364 24.0 314.344849 18.0 322.35376 18.0 333.381104 18.0 353.190308 18.0 359.082733 18.0 373.189148 22.0 374.935425 20.0 380.084076 30.0 382.131104 38.0 410.094177 28.0 415.766968 18.0 453.984528 18.0 457.246765 20.0 468.249451 20.0 471.068298 17.0 516.121521 29.0 521.445679 18.0 524.74585 20.0 546.905457 19.0 589.958557 18.0 599.170471 18.0 600.13623 20.0 607.131226 18.0 607.167725 20.0 629.141663 17.0 637.095703 18.0 655.40686 17.0 661.351196 17.0 688.49176 37.0 695.671875 43.0 721.056458 18.0 789.223938 20.0 821.124634 20.0 828.161377 28.0 833.528625 19.0 834.527161 22.0 842.117676 17.0 873.106323 18.0 883.368713 20.0 893.554993 31.0 894.030273 18.0 911.031128 18.0 927.997314 24.0 938.530762 20.0 944.205627 24.0 988.146973 18.0 1004.407593 34.0 1007.420044 18.0 1027.970703 18.0 1053.594238 18.0 1062.271606 20.0 1067.629395 19.0 1089.626831 18.0 1095.183472 20.0 1112.119385 23.0 1113.629517 18.0 1120.56897 20.0 1129.529907 41.0 1182.771729 18.0 1189.609741 18.0 END IONS BEGIN IONS SCANS=148 PEPMASS=188.05587 CHARGE=0 COLLISION_ENERGY=0.0 50.781746 20.0 52.0173 24.0 52.061634 20.0 54.034531 109.0 55.446201 30.0 56.793869 24.0 58.0289 17.0 59.012741 242.0 59.499805 18.0 63.567505 29.0 66.703346 17.0 68.050438 79.0 69.041817 18.0 69.053474 21.0 69.90963 18.0 70.148277 20.0 70.67215 20.0 71.909462 22.0 72.041977 17.0 74.02433 117.0 75.021561 21.0 75.344879 19.0 76.973038 17.0 79.031433 20.0 82.065048 19.0 83.031372 18.0 84.045441 142.0 85.028885 141.0 85.049133 18.0 86.031113 26.0 87.007462 168.0 91.710228 22.0 93.02787 18.0 93.069534 36.0 94.510719 17.0 95.984688 17.0 96.009201 24.0 97.48201 22.0 98.023659 116.0 98.060661 93.0 98.096931 17.0 98.571457 20.0 99.063911 20.0 99.275581 19.0 100.039108 184.0 100.077011 1162.0 100.934479 19.0 101.079544 94.0 101.578995 20.0 102.034683 18.0 102.05558 3530.0 102.812271 18.0 102.889214 17.0 102.947815 26.0 103.059097 195.0 103.080162 22.0 103.301956 18.0 109.025307 18.0 109.207191 17.0 111.009308 334.0 111.058533 17.0 113.927711 18.0 114.507065 20.0 116.036072 28.0 118.027885 17.0 122.184891 20.0 122.254242 20.0 122.853081 28.0 122.993591 17.0 125.098343 45.0 126.056908 331.714478 126.586548 25.0 127.057243 22.0 128.034302 3216.0 129.039474 276.0 129.708466 19.0 131.06665 19.0 132.390793 20.0 135.044525 20.0 137.024536 35.0 138.257935 18.0 138.333267 18.0 140.000839 22.0 142.07811 23.0 142.090805 44.0 143.070663 22.0 144.065582 1188.0 144.997574 20.0 145.06691 107.0 146.046036 595.0 146.072205 22.0 146.551575 40.0 146.640793 20.0 146.897385 40.0 147.051758 36.0 149.204163 28.0 156.386612 21.0 160.889435 18.0 168.111252 25.0 169.058441 19.0 170.043365 552.0 171.040451 17.0 179.858643 22.0 188.054459 1205.0 188.088165 65.0 189.061539 113.0 190.061325 24.0 191.026184 28.999998 191.05896 18.0 204.837601 24.0 207.902679 17.0 212.253464 18.0 213.681122 20.0 217.591553 17.0 231.418289 18.0 235.840027 28.0 238.824356 27.0 240.969803 17.0 244.725128 18.0 255.031616 21.0 255.963181 24.0 279.942657 41.0 282.967438 27.0 297.151367 20.0 299.558441 23.0 304.147003 18.0 311.167999 20.0 312.168304 24.0 316.828888 17.0 318.693329 26.0 322.011566 18.0 327.306763 18.0 339.192291 17.0 361.775696 17.0 370.308289 19.0 381.991119 26.0 390.867157 20.0 399.012726 26.0 400.025696 23.0 421.710876 19.0 435.272217 18.0 466.130707 18.0 475.160278 22.0 481.084106 20.0 493.308502 24.0 535.263 21.0 552.613037 17.0 576.079773 19.0 606.567688 21.0 608.146484 18.0 608.829651 18.0 617.223206 18.0 623.036865 18.0 692.971863 30.0 702.139282 18.0 703.950928 24.0 714.52417 21.0 726.383423 18.0 775.228821 22.0 787.330078 20.0 790.232422 21.0 835.515869 21.0 860.479065 27.0 921.46991 17.0 929.052979 35.0 941.096375 27.0 945.628418 44.0 958.320007 21.0 1021.489868 21.0 1057.587036 18.0 1069.575439 18.0 1083.775146 17.0 1132.135498 20.000002 1143.449219 33.0 1159.79248 17.0 1164.168091 24.0 1169.979736 28.0 1178.998291 22.0 END IONS BEGIN IONS SCANS=149 PEPMASS=417.10312 CHARGE=-1 COLLISION_ENERGY=0.0 50.131725 18.0 52.203461 21.0 53.83176 20.0 57.037708 18.0 57.427258 17.0 58.918125 18.0 59.013161 723.754761 59.205658 18.0 59.35973 29.0 60.017487 25.0 61.475239 18.0 70.899185 22.0 71.013054 627.0 72.01358 26.0 73.029564 44.0 73.043045 29.0 75.008492 18.0 75.46212 24.0 77.866127 19.0 81.342331 26.0 81.720421 23.0 82.79895 18.0 83.010307 20.0 84.022621 48.0 85.029312 101.0 86.029366 18.0 87.005966 79.0 87.497627 21.0 89.023911 1673.0 89.21418 17.0 89.338959 18.0 89.465416 20.0 90.026993 68.0 91.050743 18.0 93.035133 168.0 93.395164 17.0 95.009064 21.0 95.049301 25.0 95.704224 18.0 97.027809 40.0 99.009033 19.0 99.046455 220.0 99.943146 27.0 100.050629 20.0 101.023323 1255.0 102.025612 44.0 107.047783 98.799789 108.054832 19.0 109.023155 57.0 112.052437 45.0 113.024086 739.0 113.194633 22.0 113.460693 17.0 114.027344 22.0 115.036972 19.0 117.349236 21.0 117.491371 18.0 119.034363 1229.255127 119.616486 17.0 119.859573 17.0 120.037994 35.0 120.050743 20.0 121.027374 667.0 121.063408 61.0 122.037193 72.22364 123.042549 40.0 125.027946 33.0 125.936066 26.0 126.583809 19.0 127.037109 19.0 127.056152 21.0 127.159393 19.0 128.036011 18.0 129.030045 18.0 130.552216 18.0 131.046799 90.0 132.049942 22.0 134.11377 20.0 135.045502 207.322113 137.05983 752.0 138.061478 86.0 139.038483 522.0 139.686646 20.0 140.038071 40.0 142.05217 18.0 143.03244 133.0 146.029816 37.0 147.044418 434.0 148.043961 19.0 149.051041 241.0 151.235458 18.0 151.447311 29.0 152.195908 18.0 153.05452 151.0 153.94014 48.0 154.374985 22.0 156.256012 23.0 156.828613 18.0 159.008072 19.0 159.030762 19.0 159.53746 17.0 159.886841 22.0 161.047287 159.0 161.509094 17.0 163.038422 35.0 165.055283 1784.439697 165.092789 20.0 165.959381 21.0 166.055527 152.0 166.718979 23.0 167.051422 32.0 167.064758 51.082191 167.949203 54.0 169.13649 21.0 172.139175 19.0 175.034058 72.0 176.044022 38.0 179.056122 416.0 183.065079 867.69812 184.06987 37.0 184.955658 19.0 186.66539 20.0 188.795486 18.0 188.933899 18.0 189.052399 36.0 190.055023 34.0 191.032242 62.0 192.031036 20.0 193.050598 325.0 194.043289 22.0 194.060379 23.0 195.047409 27.0 197.986084 22.0 201.054428 20.0 204.900497 20.0 207.046066 17.0 207.560638 18.0 209.045242 323.0 210.047852 20.0 211.059006 370.0 212.057739 50.844379 212.85611 17.0 218.237991 18.0 220.018127 19.0 221.035141 18.0 221.115936 26.0 227.059219 229.0 228.757736 18.0 236.081039 18.0 236.489105 18.0 237.03862 1672.0 238.042084 281.932495 239.044189 39.0 241.077972 24.0 243.336624 17.0 251.007614 23.0 255.050827 178.0 255.551361 17.0 256.050476 62.0 266.936462 17.0 268.016235 18.0 276.929596 18.0 280.974091 18.0 285.70694 27.0 287.169525 18.0 287.387939 27.0 289.98941 24.0 290.949127 24.0 293.066254 47.0 295.060913 18.0 305.034332 19.0 305.066223 17.0 306.420349 26.999998 328.322693 18.0 328.668518 24.0 329.148315 33.0 334.328278 21.0 344.086395 42.0 345.986877 22.0 355.180908 18.0 355.807281 19.0 357.053955 28.0 362.868073 39.0 368.78775 22.0 372.093414 78.0 373.095612 22.0 383.989838 17.0 385.260284 17.0 386.858124 20.0 389.105469 616.0 390.115265 213.0 390.452728 25.0 398.060425 24.0 399.063416 50.0 400.872131 21.0 401.052979 18.0 401.0896 25.0 417.10321 4050.656982 418.106201 572.0 418.193512 39.0 419.101471 106.0 419.195953 22.0 420.127869 21.0 420.188446 25.0 433.46283 24.0 477.399994 19.0 477.598083 24.0 486.940308 20.0 516.14093 18.0 532.078064 17.0 564.148743 20.0 572.426025 19.0 588.197083 24.0 593.151428 31.0 640.22583 38.0 690.223938 22.0 751.271179 20.0 805.469238 25.0 835.393616 21.0 843.327087 20.0 896.128662 18.0 1052.060791 21.0 1069.27832 20.0 1083.263428 18.0 1137.864258 22.0 1142.442505 30.0 1177.024902 18.0 1194.113159 24.0 1194.674683 18.0 1198.738037 20.0 END IONS BEGIN IONS SCANS=150 PEPMASS=157.01372 CHARGE=0 COLLISION_ENERGY=0.0 65.098778 18.0 69.033302 254.0 70.039719 19.0 71.01181 62.0 74.404533 18.0 74.898705 18.0 78.14196 28.0 80.382919 17.0 84.119133 21.0 85.029984 41.0 97.188744 18.0 98.294899 21.0 105.703697 30.0 105.855309 18.0 106.508949 17.0 111.008911 18.0 113.019867 25.0 114.938797 24.0 115.14093 18.0 116.929695 87.0 123.244911 18.0 124.217476 21.0 124.638107 26.0 125.923531 17.0 127.111252 22.0 138.745148 20.0 141.755814 17.0 142.893585 25.0 148.399628 20.0 148.438309 17.0 156.89476 38.0 157.014847 195.0 158.015442 59.0 158.891464 42.0 158.941864 23.0 159.944214 37.0 161.032303 20.0 177.962753 20.0 187.923019 18.0 190.448166 17.0 193.042511 52.0 195.048691 25.0 196.885361 17.0 200.034439 28.0 203.535355 20.0 205.950836 39.0 212.696457 20.0 221.042725 21.0 223.106155 18.0 229.242859 31.0 246.099945 19.0 283.083832 18.0 287.97818 17.0 291.538391 35.0 292.229553 18.0 342.155273 17.0 355.565735 20.0 366.795044 22.0 374.039215 26.0 375.010773 19.0 375.278046 37.0 399.061676 19.0 411.083496 20.0 425.011993 18.0 461.573944 18.0 476.274414 20.0 538.148254 18.0 552.160278 18.0 570.963989 21.0 597.229797 18.0 638.830139 28.0 697.6698 18.0 712.04126 18.0 715.568359 18.0 730.498047 26.0 872.192688 18.0 889.410583 18.0 937.661926 30.0 982.25 18.0 1038.623047 21.0 1065.346069 40.0 1121.677124 18.0 1129.291138 21.0 1149.082031 18.0 1157.664185 32.0 END IONS BEGIN IONS SCANS=151 PEPMASS=175.02426 CHARGE=0 COLLISION_ENERGY=0.0 58.130909 17.0 58.810551 18.0 59.012108 51.0 61.841469 17.0 69.034195 1742.0 69.797729 17.0 70.036812 54.0 71.012222 369.0 72.981804 18.0 73.914116 18.0 78.960052 39.0 80.895744 19.0 85.026093 67.0 85.926353 24.0 85.942757 21.0 87.044884 2362.045654 88.04792 115.0 88.352066 19.0 88.406242 22.0 89.868607 18.0 89.904106 19.0 104.352997 18.0 108.113983 20.0 109.997246 23.0 112.043549 34.0 113.02317 746.0 113.883163 22.0 114.027161 56.0 115.005096 96.0 115.038673 38.0 125.832794 20.0 131.03447 531.0 142.054626 21.0 142.892776 18.0 144.375244 20.0 148.133774 27.0 148.193909 23.0 150.057419 20.0 156.953491 20.0 157.013626 5689.02002 157.094025 20.0 157.887482 17.0 158.015976 543.0 158.899643 18.0 159.014511 82.0 159.892914 34.0 160.885208 33.0 164.713226 18.0 169.084305 34.0 170.050201 32.0 170.760925 26.0 174.85965 22.0 175.024445 846.842651 175.803787 18.0 176.029709 74.0 178.877518 19.0 181.726288 18.0 185.208481 18.0 192.189423 22.0 199.74086 20.0 236.086929 18.0 253.186844 20.0 267.070862 22.0 304.967255 17.0 325.869385 18.0 335.719452 19.0 351.656097 39.0 352.177826 20.0 355.796661 28.0 377.141998 45.0 381.56192 25.0 407.742828 30.0 471.810547 18.0 472.055176 20.0 506.139038 19.0 513.101379 18.0 516.872437 17.0 525.826721 17.0 965.034668 18.0 1041.648804 24.0 1144.310303 19.0 1180.075562 22.0 END IONS BEGIN IONS SCANS=152 PEPMASS=128.03483 CHARGE=0 COLLISION_ENERGY=0.0 53.68079 21.0 53.849449 18.0 54.616856 18.0 57.902489 33.0 60.448956 21.0 64.373398 18.0 64.450958 21.0 65.357887 18.0 69.658188 22.0 71.462418 18.0 71.665314 22.0 72.68779 20.0 72.800797 24.0 73.754898 18.0 79.020355 18.0 82.025856 18.0 82.151184 21.0 85.83754 22.0 92.443794 18.0 93.366341 20.0 94.318283 20.0 95.385231 18.0 103.065948 40.0 112.234352 21.0 113.179977 36.0 113.650536 18.0 118.529167 19.0 119.252304 25.0 121.042183 19.0 121.987099 18.0 123.678078 19.0 124.356743 55.0 128.035522 470.0 129.026352 22.0 129.040344 26.0 130.041977 17.0 130.083755 29.0 130.69429 19.0 130.940948 22.0 132.121017 18.0 141.372986 22.0 144.270859 27.0 144.880295 19.0 146.975937 26.0 147.406738 19.0 157.020111 20.0 160.85257 25.0 165.409363 18.0 220.071609 22.0 220.758713 18.0 225.828125 19.0 239.437653 21.0 245.021423 27.0 260.338379 22.0 262.012543 38.0 285.127319 31.0 293.775238 25.0 306.723602 17.0 313.262787 17.0 321.775177 18.0 325.184967 20.0 338.026276 18.0 348.028992 19.0 356.588837 18.0 366.392578 17.0 370.119232 23.0 437.827362 27.0 447.954559 26.0 453.118408 17.0 465.616699 20.0 475.456268 19.0 477.158051 18.0 498.174896 30.0 540.199585 21.0 615.788635 23.0 617.374939 19.0 638.256165 18.0 646.292908 21.0 654.923035 25.0 680.218018 20.0 690.303955 19.0 698.983276 18.0 711.079712 18.0 716.544067 18.0 732.089172 17.0 784.513977 22.0 814.724609 20.0 886.167114 20.0 891.988953 25.0 931.99585 25.0 984.910278 17.0 1000.14624 18.0 1018.096802 28.0 1034.619629 19.0 1075.318237 18.0 1087.480225 24.0 1094.222412 25.0 1143.229492 27.0 1181.725952 20.0 1184.636353 18.0 1191.129272 22.0 1194.49939 19.0 1194.874634 21.0 1198.391968 20.0 1198.572388 18.0 END IONS BEGIN IONS SCANS=153 PEPMASS=389.10793 CHARGE=0 COLLISION_ENERGY=0.0 59.0117 42.0 71.014626 95.0 78.958069 18.0 81.034683 41.0 89.022743 99.0 94.041267 34.0 95.045837 22.0 97.026962 21.0 98.058472 17.0 100.04464 19.0 101.028854 71.0 105.937386 27.0 106.041054 19.0 109.025391 81.0 109.454216 23.0 109.993484 21.0 111.038307 38.0 113.024132 116.0 114.944763 20.0 116.041901 18.0 117.087242 18.0 119.032639 145.0 120.036896 18.0 121.028183 18.0 122.795113 17.0 127.021347 29.0 128.243454 20.0 129.029861 26.0 130.095917 42.0 131.034897 17.0 134.054688 17.0 136.993027 39.0 137.058655 96.0 138.089279 24.0 138.992676 18.0 139.039886 100.0 140.042343 17.0 140.956741 26.0 143.93512 27.0 144.584351 22.0 147.046951 18.0 149.81871 29.0 151.03833 18.0 152.065552 28.0 153.054459 20.0 157.033875 44.0 158.738434 68.0 161.051773 18.0 162.028183 40.0 165.055649 73.0 166.049866 18.0 169.949142 18.0 169.987961 20.0 171.941238 24.0 176.002914 17.0 176.026047 27.0 178.877289 17.0 179.059402 18.0 180.033203 26.0 181.045334 17.0 181.066208 18.0 183.062805 84.0 185.078964 24.0 191.026993 28.0 191.954254 18.0 193.044464 20.0 195.096725 17.0 197.969055 25.0 198.874268 18.0 199.955185 21.0 200.950134 26.0 203.032501 18.0 204.050751 20.0 207.063797 18.0 209.04541 91.0 216.938416 17.0 225.079025 20.0 227.054626 96.0 229.98526 18.0 232.051865 28.0 241.97673 21.0 247.041061 19.0 253.969604 18.0 255.056931 25.0 255.126282 20.0 256.116882 18.0 257.208344 23.0 259.997162 20.0 261.969971 18.0 270.869263 18.0 274.118988 18.0 280.082123 17.0 284.928925 19.0 284.990875 20.0 290.05545 26.0 290.964996 18.0 301.993256 18.0 311.078369 17.0 318.055359 36.0 325.18515 36.0 343.971619 18.0 344.872162 25.0 346.031525 20.0 363.065094 18.0 363.110138 36.0 371.15918 18.0 388.081207 18.0 388.148285 18.589006 388.174957 20.0 389.113586 319.0 390.110443 18.0 390.141663 25.0 390.173004 18.0 390.195984 17.0 391.165771 60.0 391.992096 17.0 392.089478 29.0 393.076233 45.093433 393.094086 20.0 442.024719 18.0 482.241943 20.0 729.796448 18.0 END IONS BEGIN IONS SCANS=154 PEPMASS=181.07119 CHARGE=0 COLLISION_ENERGY=0.0 52.150936 18.0 52.438648 18.0 52.647289 18.0 53.395809 18.0 54.853302 17.0 55.019695 64.0 55.647118 20.0 58.156895 20.0 59.012405 329.0 59.6469 20.0 60.026451 20.0 61.722969 26.0 62.980122 21.0 64.179314 18.0 64.441956 24.0 68.430733 18.0 68.930611 17.0 68.996887 18.0 69.035103 40.0 69.886536 17.0 69.992561 23.0 71.013405 881.800049 72.01487 18.0 73.029778 139.0 76.516548 18.0 78.982224 38.0 81.922661 18.0 83.01265 159.0 83.082253 18.0 83.330978 20.0 83.616249 17.0 84.016548 18.0 85.029518 150.0 86.031563 17.0 89.024734 830.884766 89.4589 20.0 90.025566 18.0 91.034996 25.0 93.035576 22.0 95.011345 19.0 95.493103 17.0 96.960724 17.0 97.02951 90.0 98.835159 19.0 99.019981 26.0 99.924446 18.0 100.458008 27.0 101.024895 852.0 101.624313 18.0 101.954559 18.0 102.030525 95.0 103.043571 17.0 109.028069 17.0 110.024567 18.0 111.040421 29.0 111.678223 22.0 112.186104 17.0 112.834061 18.0 112.981659 41.0 113.022385 49.0 113.979012 21.0 113.990395 42.637642 115.037956 53.0 116.930336 41.0 117.675285 18.0 118.030548 36.0 119.034782 155.0 120.045464 20.0 123.747307 20.0 125.723007 20.0 131.034393 106.0 135.990234 24.0 137.020111 51.0 137.277023 18.0 138.05481 95.0 139.996368 18.0 140.894775 17.0 143.029358 26.0 145.046326 20.0 145.547729 18.0 146.404831 17.0 148.27356 25.0 149.044525 36.0 158.411835 24.0 161.047012 26.0 161.893173 18.0 163.061554 279.0 165.020844 26.0 166.051926 19.0 167.057632 18.0 169.013062 17.0 181.011551 18.0 181.073364 704.0 181.986099 18.485104 182.002396 35.514896 182.042633 36.0 182.07518 101.0 182.991043 18.0 183.00618 18.0 183.150452 28.0 184.38208 17.0 185.089325 25.0 192.859222 20.0 194.515442 18.0 201.047928 17.0 221.946228 23.0 224.059891 66.0 230.776245 18.0 232.936768 18.0 246.164642 48.0 250.492783 20.0 252.186081 18.0 254.223618 18.0 254.467926 17.0 265.152191 17.0 279.008972 18.0 279.094727 19.0 284.260376 18.0 287.057281 20.0 300.940125 35.0 310.037811 17.0 317.111938 18.0 321.99054 20.0 325.189087 20.0 330.626404 17.0 332.216736 19.0 338.603851 19.0 387.989716 29.0 389.121918 40.0 390.640106 20.0 397.97287 18.0 399.889252 34.0 401.400879 18.0 410.211456 20.0 416.109283 20.0 417.107056 38.0 418.107117 21.0 423.110809 24.0 425.114197 23.0 427.134552 20.0 431.125305 65.0 438.129517 53.0 439.555267 18.0 451.120331 17.0 457.313049 25.0 457.505737 17.0 462.803589 18.0 464.144806 18.0 515.377747 23.0 536.708862 20.0 572.359192 18.0 582.685242 17.0 594.248291 17.0 625.150146 21.0 627.1828 23.0 636.164795 18.0 648.064148 18.0 651.163269 18.0 672.958069 18.0 689.505005 20.0 700.541931 18.0 716.523621 18.0 760.487183 19.0 785.228943 21.0 788.23053 45.0 793.987976 42.0 833.521729 38.0 862.376648 47.0 887.933411 24.0 920.509888 18.0 925.431702 18.0 925.544373 34.0 928.356018 18.0 968.146423 26.0 969.612854 30.0 1020.058655 18.0 1038.98645 19.0 1044.423584 20.0 1046.915527 18.0 1054.37915 22.0 1061.316162 24.0 1064.709106 26.0 1071.826172 18.0 1092.728027 28.0 1096.077759 20.0 1139.285034 27.0 1146.274292 18.0 1148.820679 18.0 1181.61145 22.0 END IONS BEGIN IONS SCANS=155 PEPMASS=167.07077 CHARGE=0 COLLISION_ENERGY=0.0 55.85627 21.0 57.704941 29.0 58.603058 22.0 59.129154 18.0 60.413174 17.0 63.690773 54.0 64.611893 18.0 66.474533 18.0 66.52533 20.0 66.580017 19.0 67.818222 22.0 68.559303 29.0 72.048279 30.0 75.992134 27.0 78.959221 44.0 79.056931 38.0 79.194458 17.0 79.82592 29.0 79.954941 137.0 81.034683 23.0 81.955513 52.0 86.545273 18.0 91.058189 21.0 91.358192 20.0 94.641235 21.0 94.981888 27.0 107.048782 70.0 108.055847 26.0 109.029167 18.0 115.445312 17.0 117.042679 19.0 117.703049 20.0 119.050758 306.0 119.522385 22.0 123.045601 36.0 124.026306 20.0 124.055458 43.0 125.961235 18.0 127.03833 18.0 135.064224 18.0 137.02388 20.0 137.05957 199.0 138.436966 18.0 138.97403 17.0 149.058441 29.0 151.163666 20.0 154.942368 20.0 161.665405 19.0 163.227646 25.0 164.688583 21.0 166.055038 286.0 167.004547 27.0 167.07341 24.0 167.784653 20.0 168.047318 31.0 168.080261 20.0 168.977585 18.0 169.007935 30.0 169.645569 27.0 170.006409 17.0 176.784378 22.0 178.604752 30.0 180.136581 24.0 182.225906 19.0 190.999908 20.0 197.422211 28.0 213.722687 38.0 228.564194 20.0 257.774048 25.0 263.413361 28.0 281.823547 20.0 284.204773 27.0 293.390686 26.0 309.89035 18.0 319.200134 26.0 321.637939 20.0 328.087982 17.0 333.584778 20.0 343.666656 18.0 355.088074 20.0 371.197968 19.0 376.236847 22.0 396.146515 18.0 402.509705 25.0 446.547974 18.0 495.116882 20.0 500.311951 17.0 509.747772 20.0 557.529175 20.0 572.125061 19.0 590.277283 24.0 618.687256 20.0 670.062561 22.0 670.184326 26.0 734.302551 20.0 758.441467 26.0 803.07489 18.0 864.160583 23.0 892.408142 18.0 902.318115 18.0 923.925232 18.0 927.285217 35.0 936.3125 21.0 1028.341187 21.0 1068.396851 17.0 1077.239136 43.0 1105.03186 27.0 1118.22229 21.0 1125.730957 18.0 1136.213989 17.0 1193.265503 22.0 END IONS BEGIN IONS SCANS=156 PEPMASS=229.07116 CHARGE=0 COLLISION_ENERGY=0.0 53.072563 18.0 57.034992 18.0 57.081055 24.0 58.984028 20.0 60.991039 18.0 61.982082 18.0 63.603554 23.0 65.038025 22.0 65.560226 27.0 67.014992 19.0 68.992935 18.0 69.033592 232.0 69.100403 18.0 70.091553 27.0 71.008553 38.0 72.604866 17.0 72.990982 18.0 76.973152 26.0 79.054001 58.0 80.021797 20.0 80.201721 18.0 80.222237 17.0 81.034355 37.0 81.069756 22.0 81.196396 18.0 83.048439 158.0 83.356514 18.0 84.185623 19.0 85.029709 26.0 85.946335 21.0 86.104004 20.0 86.990326 26.0 87.045265 302.0 87.089096 20.0 88.047363 17.0 89.047234 18.0 91.053833 220.0 91.08773 22.0 92.056366 17.0 93.032913 96.0 93.069923 237.0 94.075531 82.0 95.009644 28.0 95.048897 94.0 96.049232 22.0 97.028481 339.0 97.067825 59.0 97.936569 18.0 97.946724 23.512981 98.04203 26.0 98.953102 37.0 99.030464 20.0 99.219551 17.0 99.92543 17.0 101.93927 27.0 102.062675 19.0 102.929405 18.0 103.05484 196.0 103.373703 20.0 103.464874 34.0 103.956169 27.0 104.055595 18.0 105.030495 38.0 105.07016 102.0 106.030128 25.0 106.043137 77.0 107.047897 168.0 108.021904 38.0 108.05188 33.0 109.029724 39.0 109.064941 450.0 110.03701 28.0 110.065117 92.0 111.01004 17.0 111.042496 77.0 111.079849 18.0 111.858589 18.0 112.047112 19.0 112.0839 18.0 112.980896 20.0 112.995094 29.0 113.022354 44.0 113.941093 30.0 114.949036 29.0 116.932091 18.0 119.050743 1618.411743 120.052406 94.0 121.065331 1132.0 121.867134 18.0 122.037369 121.874084 122.069572 97.67392 123.045853 185.0 123.078865 37.0 123.290787 22.0 124.082672 18.0 125.060165 350.217438 127.000282 41.0 127.036247 36.0 127.072563 38.0 128.046127 27.0 129.044006 20.0 129.935165 119.0 130.089539 17.0 131.049469 419.0 133.057968 34.0 134.037796 104.0 134.429932 22.0 137.060135 4202.167969 137.374313 20.0 137.780228 18.0 137.942429 23.0 138.064087 213.0 138.679459 17.0 139.073898 247.0 139.955627 24.0 140.962601 18.0 141.935181 77.0 142.691223 26.0 142.931808 17.0 142.944626 38.0 143.70285 17.0 143.949966 46.0 144.030197 18.0 144.43692 21.0 144.963623 17.0 145.910095 17.0 148.049866 23.0 149.0616 607.717529 149.082535 21.282455 150.064774 135.0 150.435608 17.0 153.050583 24.0 153.552139 22.0 153.935547 27.0 153.961868 23.0 155.070175 996.011292 155.634979 17.0 155.907776 18.0 155.948929 65.0 156.075073 91.0 157.078735 47.0 157.306396 18.0 157.630997 27.0 157.930756 143.0 158.892853 37.0 158.952942 20.0 167.070221 2046.275146 167.16188 22.0 168.031113 45.0 168.075928 165.0 168.641373 40.0 169.0616 20.0 170.081802 28.0 171.067459 18.0 172.027054 20.0 182.954407 22.0 182.988419 56.0 183.93988 21.0 183.969818 44.0 184.515717 18.0 184.952591 20.0 185.081009 1382.0 185.434875 19.0 185.646027 18.0 185.966339 17.0 186.085617 177.0 187.093094 263.563232 187.939011 53.0 188.103088 37.0 188.67392 20.0 190.688019 20.0 191.777023 17.0 197.963791 18.0 199.061218 75.0 203.033295 38.0 206.112335 22.0 206.79332 30.0 209.629837 18.0 211.062973 90.0 213.0746 20.0 218.655212 18.0 225.78035 21.0 228.06662 20.0 229.041214 53.0 229.072235 852.0 230.07756 119.0 230.101456 27.0 231.032181 37.0 231.087067 89.0 231.931168 18.0 233.049072 18.0 238.07135 17.0 240.984924 18.0 242.862198 18.0 244.417175 42.0 245.100006 18.0 253.355347 21.0 257.507843 28.0 269.200348 18.0 281.24054 18.0 282.45874 26.0 284.057068 18.0 290.940552 20.0 295.05304 47.0 295.960876 52.0 300.176239 18.0 309.026672 21.0 309.653351 18.0 311.170074 18.0 312.019501 18.0 326.187683 22.0 335.088715 20.0 337.996582 20.0 349.060455 20.0 354.059753 20.0 354.087982 22.0 354.127228 18.0 388.294067 25.0 418.109772 18.0 425.176239 18.0 439.595001 22.0 441.704834 18.0 442.104492 18.0 466.091827 21.0 466.71701 20.0 471.108032 18.0 502.071686 24.0 525.900208 31.000002 570.260742 18.0 585.244324 18.0 636.613464 30.0 645.186768 17.0 649.513245 17.0 772.180847 18.0 783.100037 18.0 789.186523 17.0 803.123596 19.0 851.181946 18.0 879.137817 17.0 881.273315 18.0 918.221313 18.0 929.849792 19.0 940.286072 20.0 942.229187 22.0 949.285522 25.0 1029.223755 17.0 1065.339355 18.0 1128.283936 20.0 1146.255249 24.000002 1162.169189 22.0 1171.325317 20.0 1190.421753 21.0 END IONS BEGIN IONS SCANS=157 PEPMASS=224.05584 CHARGE=-1 COLLISION_ENERGY=0.0 50.103195 17.0 50.428513 26.0 50.483479 18.0 50.495171 17.0 54.050476 17.0 54.18903 35.0 54.837959 28.0 56.013813 211.0 56.053856 19.0 56.384109 17.0 57.556259 22.0 60.990864 18.0 61.022568 20.0 61.916714 27.0 61.98835 40.0 68.014229 45.0 68.797554 20.0 70.022263 20.0 70.066483 28.0 72.011353 45.0 72.462036 44.0 73.031136 59.0 74.024643 267.0 74.094505 19.0 75.928864 20.0 76.431274 24.0 77.039925 41.0 77.507645 22.0 79.019585 31.0 79.134338 22.0 82.027428 41.0 83.015175 39.0 84.006157 23.0 85.890282 18.0 86.022858 41.0 90.033478 61.0 90.446213 24.0 91.05423 20.0 91.115181 30.0 92.026634 43.0 93.033813 8610.21582 94.03759 613.0 94.145279 23.0 95.042969 30.0 95.053368 21.0 96.957146 17.0 98.574249 18.0 98.809074 20.0 98.851234 33.0 99.00808 20.0 99.022102 22.0 99.240173 21.0 100.003273 10380.290039 100.135002 21.0 100.184387 18.0 100.670753 25.0 101.006371 359.528046 102.006966 143.0 102.734879 37.0 104.034775 976.0 105.033012 175.0 105.585426 17.0 106.042976 51.0 107.037544 18.0 108.046181 248.0 109.031967 17.0 112.005318 46.0 115.062965 35.0 116.928886 33.0 118.029945 59.0 119.051155 122.0 120.020515 36.0 120.050568 118.0 120.36245 32.0 121.030159 438.0 121.070152 19.0 122.030746 37.0 123.050751 27.0 128.034988 42.0 129.016663 26.0 130.01474 367.716125 130.35672 19.0 131.014435 45.062737 131.038162 94.578423 132.045013 1229.0 133.027206 18.0 133.050064 66.0 134.056931 22.0 135.04538 2684.477539 135.139984 22.0 135.516678 20.0 136.043884 761.51416 136.118652 18.0 136.316925 18.0 137.025818 750.785767 137.052322 19.0 137.093475 24.0 137.56163 20.0 138.030441 76.0 138.815948 18.0 139.02803 56.0 141.095093 17.0 142.019653 18.0 142.098602 18.0 142.760117 17.0 146.055344 29.0 147.032532 156.0 148.041275 427.0 148.419052 18.0 149.023956 37.0 149.042664 18.0 150.055206 2703.0 150.410507 23.0 151.004745 22.0 151.058853 239.543701 151.47554 18.0 152.610138 44.0 152.893631 21.0 155.105255 17.0 159.667328 20.0 159.718491 20.0 160.040039 239.0 161.913193 24.0 161.937378 18.0 162.055511 11425.611328 163.06012 1385.558838 163.092621 19.0 163.90358 19.0 164.050232 47.0 164.066162 64.0 164.354309 31.0 165.088409 18.0 165.597275 19.0 166.047058 20.0 167.032532 23.0 167.482651 37.0 167.600708 19.0 168.035599 42.0 169.006363 18.0 170.940125 26.0 175.924774 20.0 176.03476 3223.869629 177.039001 637.0 177.903702 20.0 178.047684 437.0 178.5327 18.0 178.993317 24.0 179.061539 92.0 179.959381 19.0 180.067535 232.0 180.727966 18.0 181.069412 57.0 181.108246 55.0 182.111252 26.0 183.05809 18.0 193.987396 36.0 194.045776 3735.433594 195.048843 402.0 196.048874 56.0 196.617676 18.0 204.824615 20.0 206.043259 57.0 206.079468 20.0 208.481201 22.0 209.944931 17.0 223.064621 21.0 224.056076 3969.353516 225.060013 546.402344 225.085587 62.0 226.060654 129.287552 226.087341 19.859457 226.970016 18.0 227.021545 18.0 227.060974 20.0 229.072342 36.0 231.085403 22.0 232.274704 25.0 242.032806 22.0 252.317841 20.0 254.776672 25.0 255.241638 18.0 265.136505 18.0 268.57428 18.0 279.665802 17.0 287.971924 20.0 288.640869 20.0 294.341461 20.0 295.981171 17.0 300.652161 26.0 304.088287 18.0 311.161407 41.0 326.190887 18.0 332.158386 19.0 339.182251 17.0 339.204224 22.0 344.018005 19.0 358.873138 19.0 389.105469 21.0 389.944855 22.0 390.17038 23.0 411.994843 18.0 415.753235 18.0 419.191589 18.0 423.107544 18.0 433.767548 20.0 442.075562 22.0 442.109314 18.0 442.288849 35.0 462.15451 18.0 472.120148 18.0 493.225464 22.0 505.201965 22.0 509.055573 25.0 510.339966 18.0 517.236694 17.0 541.024292 20.0 543.335022 20.0 547.014221 24.0 547.151489 18.0 576.164917 18.0 625.301636 18.0 647.163452 20.0 688.49762 23.0 697.026917 18.0 697.101074 18.0 714.141296 25.0 716.524414 20.0 720.88739 20.0 771.178833 18.0 773.171936 26.0 784.988953 20.0 804.233521 18.0 805.490601 58.0 886.349487 23.0 923.355835 22.0 937.094116 25.0 955.591553 17.0 990.334229 17.0 999.288696 18.0 1001.530884 24.0 1001.756592 28.999998 1011.264282 22.0 1094.218262 22.0 1095.157227 20.0 1136.075073 20.0 1148.286621 31.0 1153.52832 18.0 1179.323364 18.0 1194.748535 18.0 END IONS BEGIN IONS SCANS=158 PEPMASS=194.04518 CHARGE=0 COLLISION_ENERGY=0.0 51.428989 18.0 54.413383 20.0 55.291557 18.0 57.168823 25.0 57.426304 18.0 59.298115 18.0 62.429752 19.0 70.622871 18.0 71.215103 21.0 74.025398 45.0 74.903648 37.0 76.100098 18.0 76.962395 18.0 76.971939 20.0 78.606102 26.0 78.955208 22.0 79.321182 18.0 79.956383 59.0 80.966141 25.0 83.927811 18.0 85.030449 20.0 88.985825 21.0 89.34552 18.0 89.668617 18.0 91.01741 27.0 92.411972 22.0 93.034973 223.0 97.571007 18.0 97.927795 18.0 98.156776 17.0 100.003792 142.0 101.006172 27.0 101.552353 38.0 103.82634 23.0 104.044838 20.0 105.781281 31.0 107.678658 18.0 108.04409 36.0 113.151382 21.0 115.919456 23.0 116.743721 25.000002 116.926208 24.0 117.768677 20.0 118.884224 18.0 118.930573 18.0 120.048988 21.0 123.042816 18.0 123.542053 17.0 126.007607 20.0 126.743721 25.0 128.033203 40.0 131.008026 17.0 135.01236 18.0 135.090332 27.0 140.466278 20.0 140.493683 20.0 142.110489 28.0 142.51355 18.0 144.58519 18.0 150.054993 40.0 150.704666 26.0 157.197006 28.0 159.889969 72.0 160.034332 20.0 161.006317 22.0 164.893616 22.0 167.053879 18.0 171.299637 34.0 173.518951 25.0 174.871964 18.0 176.894455 411.0 176.983719 18.0 177.359589 18.0 177.881836 17.0 177.898148 45.0 178.889206 105.136551 179.038681 35.0 181.003174 37.614574 183.534576 20.0 183.756256 20.0 186.372742 21.0 187.123596 20.0 191.0112 18.0 192.006317 18.0 192.945114 22.0 193.01355 17.0 193.084686 18.0 193.963608 22.0 194.046219 48.0 194.086258 60.0 194.904617 110.0 195.046936 20.0 195.907837 85.0 197.01915 22.0 197.047653 20.0 197.083008 40.0 213.048126 19.0 216.446869 23.0 222.817474 17.0 224.057129 115.0 224.706802 18.0 225.065262 64.0 227.062546 17.0 231.820862 18.0 248.22023 20.0 248.494446 17.0 257.756195 34.0 265.141571 29.0 278.612732 21.0 279.777496 17.0 282.092621 20.0 283.299164 19.0 288.654175 18.0 297.145386 24.0 301.197388 20.0 325.176178 17.0 325.976654 18.0 327.416901 20.0 343.225128 18.0 361.2966 23.0 363.226868 50.0 365.963989 18.0 381.291016 21.0 383.086029 18.0 387.0672 31.0 389.114807 35.0 397.223877 18.0 397.940033 18.0 417.107574 22.0 467.530304 19.0 472.265594 20.0 499.043121 18.0 506.215118 20.0 524.181519 18.0 565.577393 18.0 574.138489 18.0 625.289917 17.0 632.502319 17.0 707.25354 17.0 713.619019 22.0 729.129761 21.0 731.263184 23.0 737.906555 18.0 744.146423 18.0 805.778503 22.0 828.365173 17.0 842.337463 27.0 855.457825 21.0 890.154907 18.0 909.36438 18.0 925.090088 18.0 939.504272 28.0 985.182068 18.0 1018.549744 21.0 1023.194031 19.0 1053.162598 19.0 1070.324341 20.0 1089.823364 26.0 1101.00354 25.0 1103.263428 27.0 1107.206543 27.0 1124.141846 19.0 1124.215088 18.0 1126.691528 18.0 1156.724854 17.0 1157.709717 19.0 1173.022827 18.0 1176.749146 22.0 1183.5271 22.0 1183.701172 17.0 1184.392334 21.000002 1192.873413 18.0 1193.862793 23.0 1196.137817 17.0 END IONS BEGIN IONS SCANS=159 PEPMASS=323.98076 CHARGE=-1 COLLISION_ENERGY=0.0 62.90007 20.0 68.247215 18.0 79.019997 19.0 79.965759 20.0 84.009087 106.0 89.022575 37.0 93.034088 193.0 94.944954 18.0 95.950996 18.0 96.496758 23.0 96.946663 17.0 98.942223 18.0 99.892509 18.0 99.926041 187.0 100.933899 434.79129 101.933853 59.0 102.999741 55.0 103.240036 30.0 108.020554 49.0 109.932953 63.0 110.942055 18.0 111.934929 42.0 112.932167 55.0 112.983368 18.0 114.924515 21.394926 114.951012 96.005676 115.017876 18.0 115.949425 43.0 116.019684 18.0 116.928436 4427.0 116.970993 21.0 117.361282 21.0 117.927887 434.0 118.02803 181.0 118.131744 17.0 118.185394 19.0 118.92775 219.0 119.801277 28.0 121.028358 72.0 123.947739 18.0 124.543953 20.0 125.95369 20.0 127.043236 27.0 128.931961 19.0 131.039001 123.0 132.044662 74.0 133.043091 18.0 135.047516 17.0 136.038483 62.0 136.987335 18.0 137.027313 19.0 137.564163 18.0 141.944794 27.0 141.959366 90.678833 142.942917 315.688263 143.950775 24.0 144.923111 27.0 147.06958 22.0 147.210785 22.0 148.041138 319.0 149.020996 18.0 149.927063 17.0 150.053329 52.0 151.041336 85.0 154.027603 19.0 155.646027 18.0 156.922394 37.0 159.033661 20.0 160.038254 125.0 160.966766 84.0 162.053482 36.0 163.057968 43.0 164.03212 21.0 165.018112 18.0 167.101074 28.0 167.868683 18.0 167.938904 17.0 168.011444 35.0 168.924545 18.0 169.964096 44.0 170.006683 68.0 170.971298 18.0 171.928772 20.0 171.971786 18.0 175.884338 20.0 176.038895 39.0 176.240021 18.0 176.961487 19.0 177.958862 18.0 177.972809 18.0 178.054214 343.580475 179.056091 66.0 180.066132 24.0 181.965591 18.0 182.110626 20.0 182.970596 18.0 183.012543 780.0 183.832092 18.0 184.015579 123.0 185.016663 58.0 185.963394 98.0 186.93306 41.0 187.945786 19.0 187.969223 36.0 188.034058 20.0 188.966599 57.0 190.024094 18.0 192.026169 20.0 192.929794 17.0 192.954666 64.0 192.983719 27.0 194.039139 34.0 194.94606 18.0 195.044647 25.0 197.019348 25.0 197.958313 53.0 198.039108 17.0 199.980209 79.0 200.028198 18.0 201.958893 59.0 202.94632 18.0 203.975525 126.0 204.04361 21.0 204.954239 331.561401 205.017822 24.0 205.955948 46.0 210.036224 17.0 212.049973 18.0 213.960098 55.0 215.975418 162.0 216.957153 18.0 216.978058 18.0 217.915009 21.0 217.988922 18.0 219.949799 40.0 219.972046 86.0 220.960587 17.0 222.034409 17.0 224.056686 134.0 225.019073 52.0 225.059677 18.0 225.955093 37.0 227.120193 22.0 229.161591 25.0 231.942078 36.0 231.972626 177.0 232.973923 22.0 233.981583 161.0 234.972397 20.0 238.061035 23.0 239.076874 40.0 243.873581 24.0 243.969498 1376.0 244.97345 531.0 245.875534 19.0 245.97197 35.0 247.961349 27.0 249.086716 18.0 251.974152 17.0 257.947205 23.0 258.011932 19.0 258.954254 18.0 260.045319 23.0 260.966583 17.0 261.930908 24.0 261.979675 251.559998 262.983612 172.350006 263.98999 59.0 275.939362 24.0 275.959656 20.0 276.990814 18.0 277.9823 46.0 279.082001 20.0 279.469391 21.0 279.988373 40.0 280.038574 18.0 280.830261 18.0 280.991028 17.0 281.134155 18.0 281.256592 17.0 283.995209 18.0 287.965485 39.0 289.017242 18.0 304.056213 20.0 305.066437 64.0 305.9758 75.0 306.975037 72.0 321.693329 21.0 322.625 18.0 323.074371 18.0 323.125061 20.0 323.171539 36.0 323.203949 17.0 323.981842 336.0 324.166626 28.0 324.193329 44.0 324.987152 200.0 325.182739 3824.635254 325.240021 18.0 325.300323 18.0 325.324646 22.0 325.972076 18.0 326.186127 673.0 327.12085 22.0 327.184692 318.0 327.56015 24.0 329.880371 18.0 330.873474 18.0 338.008698 18.0 345.528503 18.0 369.673035 24.0 476.046631 21.0 870.004944 18.0 END IONS BEGIN IONS SCANS=160 PEPMASS=417.10312 CHARGE=-1 COLLISION_ENERGY=0.0 50.498665 52.0 55.017284 35.0 57.033596 24.0 59.014076 114.0 60.017361 17.0 60.75724 18.0 61.598408 17.0 61.983833 35.0 62.385342 20.0 64.477364 19.0 64.752823 20.0 69.040375 32.0 71.015091 168.0 72.013031 15.559612 72.021194 25.440388 73.101105 18.0 73.226089 18.0 74.02726 18.0 74.947212 18.0 75.861984 18.0 79.057251 17.0 80.396187 24.0 81.030907 72.0 83.012215 43.0 83.053261 23.0 83.964813 21.0 85.031204 106.0 86.427643 22.0 87.007744 73.0 88.551674 18.0 89.023361 541.0 90.024498 17.0 90.23172 48.0 91.052986 17.0 93.035484 17.0 93.324089 17.0 95.010254 20.0 95.453354 18.0 97.029015 120.0 99.009384 22.0 99.043915 442.0 99.135078 34.0 99.887154 22.0 100.04921 17.0 101.023796 763.0 105.055374 18.0 107.033493 22.0 107.050598 108.0 111.04409 159.0 111.07196 22.0 111.152023 31.0 113.023788 241.0 113.057632 18.0 114.055626 26.0 115.003822 22.0 116.274734 18.0 119.03463 699.0 119.055862 63.0 120.01725 23.0 121.027817 266.0 121.064529 18.0 121.792854 18.0 122.036308 114.0 123.043106 43.0 124.04789 21.0 125.025375 61.0 125.058624 18.0 129.438797 18.0 129.687927 20.0 131.032471 41.0 131.362411 17.0 135.027435 98.0 135.044937 160.0 135.380096 18.0 136.051315 63.0 136.992233 39.0 137.059387 812.0 137.230881 18.0 137.557007 28.0 138.011215 20.0 138.064758 138.0 138.988922 18.0 139.040665 674.0 139.076935 18.0 140.009705 41.0 140.03978 79.0 140.072342 54.0 141.019852 125.0 143.035172 44.0 144.039551 22.0 145.144348 18.0 147.031067 70.0 147.044617 170.542389 148.041641 21.0 149.042557 59.0 150.038071 65.0 151.764557 17.0 152.625565 18.0 153.055328 148.0 156.966385 24.0 158.888168 20.0 161.051468 89.0 162.056015 24.0 162.682892 18.0 165.054504 1449.0 166.056366 158.0 166.3806 18.0 167.837341 21.0 171.009399 20.0 175.022903 24.0 179.053543 243.0 180.057358 17.0 181.362717 20.0 182.248001 20.0 183.066223 1096.0 184.06691 188.0 185.58165 32.0 187.026733 20.999998 187.102097 39.0 188.106659 22.0 190.054306 22.0 191.029556 65.0 191.285828 17.0 193.041321 18.0 197.078873 20.0 206.044724 19.0 207.057251 40.0 208.047485 23.0 208.995316 18.0 209.01442 18.0 209.046539 972.0 210.049118 218.0 210.122086 72.0 211.095428 20.0 212.696487 18.0 217.923294 20.0 219.057526 18.0 221.864822 22.0 224.209686 20.0 226.412827 18.0 227.030334 37.0 227.05397 627.0 228.055161 80.0 229.109268 24.0 235.765045 19.0 237.030396 21.0 241.088791 18.0 242.174911 28.0 242.881577 19.0 252.131149 22.0 253.915527 20.0 254.115463 35.0 255.050674 18.0 265.140594 17.0 269.025604 18.0 276.503571 20.0 276.99231 21.0 277.014893 25.0 277.974945 18.0 279.17392 18.0 281.248444 18.0 282.151672 22.0 282.860443 18.0 285.067993 18.0 288.007202 51.0 289.103058 23.0 289.580292 18.0 290.098755 24.0 291.290405 18.0 299.129089 24.0 299.392334 20.0 311.075195 18.0 323.958405 24.0 324.955536 20.0 326.127808 19.999998 330.075134 21.0 336.438995 22.0 337.974762 18.0 339.852539 18.0 351.123932 24.0 357.883118 18.0 361.182495 24.0 365.958374 18.0 371.10141 18.0 373.001251 18.0 382.008667 19.0 382.261322 39.0 389.10968 863.0 390.111847 210.0 391.111267 52.0 392.126587 27.0 394.273346 18.0 400.879913 18.0 405.873566 20.0 416.084381 18.0 417.015045 18.0 417.10437 1511.704712 417.210144 39.0 418.105682 208.0 418.155518 36.0 419.096222 100.367027 419.4758 27.0 420.164368 18.0 458.0224 22.0 463.196991 18.0 471.093292 18.0 482.515167 19.0 532.15033 35.0 534.009583 18.0 546.551636 40.0 555.338562 20.0 573.13385 20.0 602.315063 21.0 613.377808 18.0 615.205322 20.0 675.270142 18.0 683.278442 18.0 690.301331 20.0 696.198792 21.0 735.5 18.0 739.186401 18.0 835.217468 25.0 837.252869 17.0 847.232361 18.0 919.98407 18.0 1157.213135 24.0 1193.635376 20.0 1194.17334 27.0 1195.251831 18.0 END IONS BEGIN IONS SCANS=161 PEPMASS=243.05041 CHARGE=0 COLLISION_ENERGY=0.0 50.164635 18.0 52.256153 20.0 55.559036 17.0 57.032593 23.0 58.121704 18.0 59.00885 19.0 59.020329 17.0 60.681339 17.0 61.379292 18.0 64.580048 18.0 64.702759 19.0 66.033249 18.0 66.370544 41.0 67.017052 53.0 68.838654 18.0 68.996162 60.0 69.034027 325.0 71.012726 18.0 76.353897 18.0 77.034943 47.0 79.055252 121.0 81.024933 98.0 81.033051 223.570801 81.10154 30.0 81.902321 20.0 83.04023 23.076469 83.048401 16.923531 83.734627 32.0 83.937119 34.0 84.019615 59.0 85.020073 18.0 87.00441 18.0 88.637405 18.0 91.054504 713.0 92.057899 58.0 93.033646 334.0 93.071564 38.0 95.048546 177.0 96.004044 18.0 97.028595 65.0 97.065353 150.0 97.395004 18.0 97.930733 30.0 97.979424 18.0 98.059715 18.0 99.010216 49.0 99.044357 98.0 99.924629 287.0 100.924667 37.0 101.46891 26.0 101.927498 36.0 102.936768 21.0 103.923073 19.0 105.035805 23.0 107.049423 600.0 107.301613 20.0 108.04995 58.0 109.02108 18.0 109.064896 944.0 110.067101 105.0 111.044197 228.0 111.323868 26.0 111.928398 29.0 111.960434 79.0 112.96434 18.0 114.057709 43.0 116.025002 17.0 117.034721 18.0 117.338699 20.0 119.049721 1129.0 120.043762 38.623951 120.053917 25.0 122.034599 57.0 123.039879 115.0 124.044456 18.0 125.022568 18.0 125.060226 1103.0 125.545105 23.0 126.063004 91.0 126.977203 19.0 127.076332 46.0 127.959198 178.0 128.036011 24.0 128.962677 18.0 129.018036 18.0 129.064072 17.0 130.483551 19.0 131.071411 24.0 134.895798 17.0 135.047394 98.0 136.051575 19.0 137.024872 18.0 137.060272 1734.0 137.938293 73.0 138.025772 41.0 138.061417 99.0 140.081253 18.0 140.229233 23.0 143.024811 23.0 144.055557 20.0 149.910812 45.0 151.036102 42.0 153.058319 80.0 153.953293 30.0 154.92395 26.0 154.944077 47.0 155.032898 281.718231 155.06897 209.923813 155.910812 18.0 155.950958 738.0 156.001938 24.0 156.03714 20.0 156.922562 45.0 156.951431 166.0 157.803726 17.0 157.953125 69.0 157.971924 25.0 158.221497 18.0 159.986679 28.0 162.058411 19.0 169.0495 104.0 171.067886 35.0 177.377472 18.0 179.040848 61.0 181.049622 209.0 181.093552 19.0 181.960648 17.0 183.063477 27.0 184.577148 17.0 184.915344 18.0 193.045471 18.0 195.902451 23.0 195.989136 18.0 196.574432 32.0 198.576691 26.0 198.904694 18.0 198.951889 36.0 199.060165 4481.133789 200.063812 487.138062 201.065765 86.0 201.698624 18.0 203.198868 17.0 208.042435 18.0 216.458969 20.0 223.918625 20.0 224.862 18.0 225.036133 72.0 226.048904 19.0 227.051056 44.0 229.052246 20.0 239.191544 17.0 242.145157 19.0 243.049881 1535.0 243.087204 38.482571 243.971436 18.0 244.054672 88.0 244.155426 19.0 244.698776 18.0 245.048187 45.0 251.103134 19.0 254.957565 20.0 256.930786 18.0 257.366699 17.0 280.765869 17.0 289.623688 22.0 297.421234 28.0 298.713501 27.0 301.966949 20.0 319.04718 18.0 325.208466 18.0 328.641754 19.0 338.136902 17.0 367.986938 18.0 382.439911 24.0 386.047485 21.0 421.327759 25.0 424.176849 18.0 428.953705 30.0 458.155243 24.0 470.149689 27.0 477.541718 20.0 478.197723 20.0 486.81543 18.0 491.742004 20.0 496.048401 30.0 510.274872 17.0 514.391785 29.0 517.017639 18.0 525.153687 18.0 537.012329 22.0 549.614258 17.0 551.326843 18.0 551.490051 17.0 574.044067 60.0 578.898071 17.0 612.098633 17.0 640.116638 23.0 695.134888 18.0 715.629822 20.0 722.162842 19.0 744.269104 34.0 748.116028 18.0 816.966187 18.0 884.430176 18.0 945.587341 18.0 966.285522 18.0 989.099426 31.0 1026.643311 24.0 1054.891357 19.0 1062.310913 22.0 1134.692017 20.0 1142.262329 39.0 1183.980835 28.0 1185.347046 18.0 END IONS BEGIN IONS SCANS=162 PEPMASS=265.08267 CHARGE=-1 COLLISION_ENERGY=0.0 52.030853 18.0 55.265957 21.0 57.504745 17.0 61.662907 20.0 62.211891 18.0 67.029907 18.0 71.527206 18.0 75.220413 22.0 81.166565 18.0 82.011734 18.0 82.031166 38.0 82.524002 18.0 83.657845 17.0 84.04361 48.0 84.235542 22.0 85.030205 20.0 86.436096 22.0 87.808769 28.0 89.735222 20.0 93.033821 3848.0 93.077797 18.0 93.674629 17.0 93.703857 18.0 93.936684 37.0 94.038139 252.0 94.379738 24.0 95.730568 28.0 96.206154 33.0 96.605415 36.0 96.959618 451.0 97.012375 18.0 98.028748 18.0 98.198357 19.0 99.055595 23.0 99.552841 78.0 99.924263 18.0 100.931541 22.0 101.070778 190.0 107.046402 20.0 107.86795 28.0 108.357979 20.0 109.040771 139.0 109.358887 20.0 110.042824 18.0 116.933174 31.0 117.923889 27.0 118.030731 237.0 119.03067 20.0 120.022255 27.0 120.045547 60.0 125.034821 18.0 125.191719 18.0 127.05085 1361.821045 128.035675 1273.819336 128.057556 84.379402 128.642792 18.0 129.037338 145.457779 129.678009 18.0 129.977661 27.0 130.036011 18.0 131.044998 20.0 131.936401 34.0 132.048141 18.0 132.365005 18.0 133.067352 18.0 135.891556 19.0 135.936859 28.0 136.03978 574.0 137.028183 96.041267 137.044418 135.95874 138.027863 66.0 143.052048 20.0 143.922272 19.0 144.923721 18.0 145.061905 3139.0 145.181747 22.0 145.375458 22.0 145.800095 26.0 145.91301 18.0 146.063614 179.0 146.88208 22.0 146.902008 39.0 147.497116 21.0 148.059891 18.0 148.509521 20.0 148.894363 17.0 153.031693 102.0 154.036774 17.0 158.012756 19.0 160.075058 63.0 161.267944 17.0 161.891464 25.0 162.035416 18.0 162.05545 59.0 164.03804 23.0 166.060089 17.0 168.7332 22.0 170.428192 18.0 171.040726 437.0 171.06694 20.0 172.038544 23.0 173.003784 28.0 174.949249 107.0 176.021805 53.0 176.071808 46.0 176.924774 44.0 177.020447 20.0 178.094055 39.0 186.053696 32.0 189.905472 24.0 203.082611 349.900208 204.061768 20.0 204.083832 69.0 207.903793 28.0 210.622177 21.0 217.529388 18.0 217.857239 21.0 218.860474 25.0 219.868042 24.0 220.061798 37.0 221.092392 366.0 221.852707 18.0 222.096008 38.0 224.875793 23.0 228.938736 31.0 232.044678 31.0 232.07338 18.0 237.876816 17.0 239.878174 22.0 240.725021 18.0 246.01088 26.0 247.072159 1214.0 248.072693 114.876976 249.080307 23.0 250.096558 18.0 264.095154 24.0 264.505493 21.0 264.905914 19.0 265.037018 25.0 265.082214 1386.0 265.148773 726.254028 265.960693 22.0 266.087067 192.0 266.152985 176.0 267.054291 18.0 267.086456 45.0 267.141571 74.0 268.410675 18.0 268.897949 30.0 269.884918 17.0 273.011169 22.0 274.159912 18.0 276.811401 20.0 285.26474 18.0 291.659546 17.0 295.508057 24.0 306.390686 23.0 327.328552 23.0 339.609314 17.0 340.414215 17.0 346.584747 25.0 358.877441 18.0 358.962677 18.0 365.012451 17.0 366.007538 19.0 369.802307 19.0 411.661926 29.0 412.069092 18.0 413.719727 18.0 443.085358 18.0 474.018036 18.0 488.002258 18.0 520.241943 17.0 532.987732 18.0 595.821655 25.0 596.836853 18.0 622.213684 18.0 628.633728 20.0 793.532715 18.0 802.286255 19.0 863.90332 40.0 926.625122 19.0 1047.55249 18.0 1081.188965 25.0 1088.86853 18.0 1195.174561 18.0 END IONS BEGIN IONS SCANS=163 PEPMASS=199.06057 CHARGE=0 COLLISION_ENERGY=0.0 52.781643 20.0 53.46273 22.0 53.96962 19.0 54.739597 20.0 56.166317 18.0 57.086098 36.0 60.434158 21.0 63.039223 26.0 63.589512 21.0 63.618351 18.0 67.015846 20.0 69.035248 81.0 69.621803 20.0 73.679688 21.0 74.062164 20.0 78.816666 18.0 79.956055 18.0 80.346931 18.0 80.965195 17.0 80.977936 28.0 81.035179 71.0 82.035538 19.0 82.65377 20.0 83.05085 61.0 83.586731 17.0 83.618652 22.0 84.015076 17.0 86.273956 20.0 89.026817 22.0 91.054825 18.0 93.033531 64.0 94.035835 20.0 95.050034 44.0 97.063652 44.0 97.932251 31.0 97.943924 17.0 98.194847 21.0 98.601509 20.0 99.00705 35.0 99.041183 19.0 99.92627 39.0 100.047447 22.0 101.182167 20.0 101.849052 17.0 102.030891 19.0 105.016663 18.0 106.037689 24.0 106.880585 22.0 107.048309 181.0 108.051964 24.0 109.066093 87.0 109.345528 18.0 110.042023 20.0 110.95388 19.0 111.046455 100.0 111.628532 32.0 111.961601 22.0 112.000252 18.0 112.948929 22.0 114.934807 23.0 116.932823 60.999996 119.049438 350.0 120.266434 18.0 120.621422 27.0 122.039368 29.0 125.056732 105.0 125.428833 20.0 127.072922 42.0 129.038315 40.0 130.523865 27.0 133.048523 44.0 136.095963 22.0 136.725494 38.0 136.970474 20.0 137.061783 256.0 137.124344 19.0 138.060089 25.0 139.064194 23.365332 139.076248 17.634668 140.046417 21.0 141.971817 22.0 142.751343 24.0 142.988892 26.0 147.487869 19.0 148.418243 18.0 154.761368 25.0 155.033936 21.0 155.953873 118.0 156.006699 20.0 156.183197 18.0 157.567169 18.0 157.973404 54.0 160.038574 20.0 161.895004 24.0 163.042664 23.0 169.005112 18.0 169.020996 59.308117 171.043182 18.0 172.03772 19.0 172.236023 20.0 180.041229 18.0 184.507233 18.0 185.897827 20.0 186.250488 25.0 194.075089 17.0 194.19278 21.0 199.022141 18.0 199.062424 316.0 199.105713 35.0 199.17453 30.0 200.063416 18.0 201.141891 19.0 215.173431 31.0 223.49675 18.0 231.327057 20.0 232.912186 17.0 240.875381 41.0 243.04985 18.0 243.389084 20.0 250.124908 33.0 252.152313 17.0 253.237808 26.0 261.619659 23.0 264.239868 18.0 267.071289 18.0 271.580902 17.0 275.055542 23.0 276.287659 19.0 289.31842 17.0 293.571381 20.0 297.21225 20.0 299.889465 20.0 306.649658 19.0 309.716675 18.0 310.912445 18.0 330.074188 24.0 334.081635 18.0 347.339386 22.0 356.127075 22.0 373.594177 18.0 378.110992 24.0 397.821655 21.0 429.95697 17.0 430.029999 19.0 466.386047 23.0 468.869568 25.0 471.125214 35.0 487.011322 22.0 516.144897 17.0 528.189209 32.0 535.099243 18.0 543.138489 37.0 553.279907 22.0 556.048706 26.0 568.211365 20.0 597.294434 23.0 598.302612 30.0 600.187805 18.0 613.392456 18.0 624.200012 20.0 651.019897 28.0 659.214966 18.0 659.69165 28.0 687.245056 21.0 708.212158 26.0 717.260437 33.0 742.157471 22.0 758.50531 25.0 786.523804 20.0 788.154541 18.0 798.523193 18.0 803.283813 21.0 837.253235 18.0 879.13501 21.0 893.305481 24.0 911.071411 17.0 913.140076 22.0 924.230591 17.0 972.155334 17.0 976.124512 18.0 992.831909 28.0 1000.588318 28.0 1021.765198 18.0 1066.372192 25.0 1070.334961 22.0 1098.127563 20.0 1118.180054 19.0 1177.810791 20.0 1199.11438 25.0 END IONS BEGIN IONS SCANS=164 PEPMASS=356.13475 CHARGE=-1 COLLISION_ENERGY=0.0 58.029041 139.0 59.009556 31.0 62.252342 17.0 66.170479 17.0 69.366867 17.0 70.200104 20.0 71.177979 21.0 76.516998 40.0 79.055748 18.0 81.030907 22.0 85.576714 20.0 87.003426 33.0 87.964081 20.0 88.988853 17.0 93.0382 18.0 94.040276 25.0 94.747169 18.0 95.015442 26.0 95.046524 27.0 96.927574 20.0 99.925034 20.0 104.231674 18.0 105.958679 20.0 106.001144 18.0 107.051468 104.0 108.019791 22.0 109.029068 18.0 116.929909 22.0 120.815552 20.0 121.2631 19.0 122.037148 562.930664 123.045631 6426.418945 123.680893 20.0 124.046898 432.0 124.278763 17.0 125.049843 82.0 127.923592 21.0 134.865112 18.0 135.029938 115.568161 135.047226 515.431824 136.050018 113.0 137.246658 18.0 137.827148 21.0 139.069382 18.0 144.356628 20.0 145.29631 19.0 145.415222 18.0 149.65596 17.0 151.037109 20.0 152.072449 118.0 152.89035 21.0 155.999039 24.0 162.899979 19.0 164.907867 18.0 169.968536 20.0 174.160538 19.0 175.022308 20.0 178.039673 24.0 181.435272 25.0 186.445953 20.0 191.295975 30.0 191.520386 28.0 192.068527 18.0 192.209717 20.0 193.072739 20.0 193.241669 18.0 193.679611 35.0 193.789062 18.0 194.017929 17.0 194.051132 19.0 194.082474 61033.902344 194.146561 820.514587 194.223312 20.0 194.33136 37.0 194.490189 18.0 194.623367 25.0 194.825241 20.0 194.90065 19.0 194.947205 38.0 194.988373 25.0 195.022675 18.0 195.085419 8356.876953 195.51033 18.0 195.607208 40.0 195.668961 27.0 195.943207 20.0 196.03656 20.0 196.087418 922.0 196.16008 20.0 196.228287 18.0 196.482727 21.0 196.726944 18.0 196.959213 35.0 196.975876 17.151686 197.087143 71.0 197.270981 21.0 198.359482 26.0 199.03212 24.0 200.128937 22.0 200.539597 17.0 201.125763 18.0 201.192993 20.0 201.938049 19.0 215.899811 19.0 216.195435 18.0 217.70665 18.0 222.609818 18.0 227.025421 17.0 229.956787 28.0 230.598907 26.0 234.679688 18.0 245.415146 20.0 245.87204 22.0 273.550568 18.0 275.431854 22.0 278.225555 23.0 279.163452 20.0 280.775146 23.0 285.602325 17.0 287.066376 18.0 301.187439 19.0 302.041199 25.0 305.953979 29.0 311.025696 19.0 313.079407 28.0 315.022339 19.0 317.053802 20.0 341.449127 20.0 354.946289 18.0 356.135803 2101.0 356.206329 20.0 357.138855 548.0 358.140869 75.0 367.339966 18.0 380.72995 24.0 383.550995 24.0 419.114563 37.0 419.138275 21.0 420.896271 18.0 436.514526 18.0 456.070282 22.0 465.412476 20.0 489.965668 18.0 497.681427 28.0 525.66626 18.0 533.687561 18.0 575.666199 35.0 583.417542 21.0 588.119995 17.0 640.593994 27.0 653.647644 20.0 670.908264 18.0 696.351868 17.0 720.555481 17.0 727.533264 18.0 766.19281 18.0 774.103394 17.0 790.073669 17.0 871.665283 20.0 898.60321 34.0 954.726746 18.0 961.418884 30.0 1004.524048 18.0 1079.947754 20.0 1082.27832 22.0 1137.221069 17.0 1172.764771 25.0 1196.224487 40.0 END IONS BEGIN IONS SCANS=165 PEPMASS=419.12985 CHARGE=-1 COLLISION_ENERGY=0.0 50.70639 18.0 55.54924 33.0 55.694775 18.0 56.360935 18.0 61.888306 18.0 61.98764 6176.605469 62.20657 18.0 62.676361 22.0 62.825844 17.0 62.930687 18.0 62.98394 36.0 63.461662 21.0 63.990223 38.0 64.90007 18.0 65.879036 19.0 67.834602 18.0 68.400017 34.0 70.535515 21.0 71.801315 19.0 72.133873 20.0 72.287834 17.0 75.932701 18.0 78.960121 24.0 83.361259 18.0 86.564819 17.0 93.0345 22.0 93.66584 18.0 104.654358 21.0 116.93486 18.0 117.926636 18.0 119.286766 21.0 121.995453 20.0 122.037148 18.0 123.045517 219.45755 123.62822 32.0 125.997887 18.0 131.752808 25.0 135.03186 25.0 136.458389 29.0 137.633316 26.0 145.590332 18.0 146.586258 18.0 149.886627 18.0 151.429153 18.0 151.882339 23.0 152.073318 18.0 161.987991 33.0 164.358902 17.0 166.053818 18.0 177.926666 24.0 181.051086 28.0 186.294983 27.0 192.859009 22.0 193.695618 18.0 194.08194 4415.741699 194.709915 17.0 195.084381 433.0 196.082947 125.0 210.07283 18.0 223.109253 18.0 226.83313 18.0 236.088669 19.0 237.869705 18.0 241.037506 34.0 251.843323 23.0 255.22522 20.0 256.538391 21.0 260.842957 19.0 266.816589 25.0 267.072113 18.0 268.071228 18.0 278.272308 23.0 281.251282 20.0 299.991058 18.0 307.425415 18.0 322.723907 25.0 329.149963 28.0 331.522827 19.0 341.295929 20.0 350.333893 21.0 352.062561 25.0 356.134155 1023.0 356.203278 23.0 357.139435 381.0 357.572937 17.0 358.136108 18.0 364.11319 23.0 382.091187 17.0 384.129761 38.0 419.129211 642.0 420.130951 103.0 421.134888 37.0 424.014282 20.0 435.241791 18.0 436.738068 23.0 441.24231 22.0 450.015594 18.0 453.206268 18.0 461.474762 19.0 477.075104 18.0 494.1185 18.0 496.463928 23.0 504.725372 18.0 520.25238 21.0 524.196472 18.0 572.022949 22.0 579.207275 25.0 584.965576 25.0 635.933533 17.0 652.343384 34.0 714.27478 19.0 715.510803 18.0 721.253967 21.0 743.56311 18.0 758.08374 21.0 766.167297 35.0 767.186035 19.0 784.106506 17.0 789.172302 24.0 804.298157 18.0 808.950867 18.0 816.29126 18.0 820.126465 22.0 827.189026 19.0 843.209351 26.0 852.442932 18.0 853.300293 18.0 866.159241 18.0 871.075012 19.0 881.319336 20.0 886.209656 24.0 888.154968 17.0 895.028564 17.0 920.093567 30.0 936.223999 18.0 956.446289 18.0 966.052917 22.0 990.127197 18.0 1002.227722 18.0 1005.332336 18.0 1006.657715 19.0 1045.984497 20.0 1049.163696 18.0 1051.144409 18.0 1066.562012 25.0 1106.39624 18.0 1109.135132 22.0 1119.692871 19.0 1121.023682 36.0 1135.236206 18.0 1135.310913 27.0 1140.158936 23.0 1152.476807 20.000002 1170.548828 30.0 1179.888184 17.0 1184.989868 18.0 1188.467407 17.0 1189.507935 22.0 END IONS BEGIN IONS SCANS=166 PEPMASS=194.08205 CHARGE=0 COLLISION_ENERGY=0.0 50.018051 18.0 50.571709 18.0 53.407818 20.0 53.631516 21.0 55.633156 22.0 56.009357 18.0 56.730076 18.0 57.756771 19.0 59.193344 19.0 63.938427 20.0 64.355965 21.0 67.033615 20.0 67.055328 17.0 68.229416 20.0 70.115952 23.0 70.167038 33.0 74.022644 26.0 79.958229 17.0 80.776848 20.0 80.962448 17.0 83.011963 26.0 84.969536 18.0 85.333916 24.0 86.969757 18.0 87.00502 29.0 88.702606 24.0 90.518127 20.0 92.527008 30.0 94.979416 28.0 96.445717 19.0 96.548965 20.0 97.069725 25.0 100.698563 17.0 102.847176 28.0 104.510422 22.0 112.592072 21.0 112.673485 20.0 114.106522 22.0 114.158119 20.0 116.931419 44.0 120.308815 18.0 121.906013 20.0 122.036041 41.0 122.112617 22.0 122.753319 19.0 123.046021 439.0 124.050278 18.0 128.57135 20.0 128.590912 20.0 129.513107 25.0 135.009872 18.0 135.046753 18.0 135.812378 26.0 136.00972 18.0 136.387146 18.0 137.954941 18.0 138.323135 19.0 138.397293 18.0 141.014175 55.0 142.274918 18.0 148.259659 17.0 148.820648 18.0 148.901306 20.0 148.985764 29.0 150.226257 61.0 150.549271 21.0 152.476898 18.0 156.39505 18.0 159.889511 90.997963 159.903168 69.002037 160.148438 25.0 160.890259 27.0 162.264496 43.0 162.302811 21.0 163.394272 22.0 164.896622 18.0 165.913132 20.0 167.630768 25.0 172.596313 18.0 175.887421 17.0 176.898987 51.0 177.905487 19.0 178.060074 80.0 178.4505 22.0 178.888733 43.0 179.488937 20.0 179.89856 21.0 179.991959 19.0 181.007675 64.0 182.731567 27.0 188.173203 21.0 191.5121 18.0 193.026672 31.0 193.056259 30.309723 193.070999 36.0 193.091995 17.0 193.165543 17.0 194.081833 277.0 195.084412 81.0 195.284241 19.0 196.289047 23.0 196.719345 17.0 196.9021 17.0 197.091278 21.0 202.055359 18.0 203.032303 20.0 220.284409 20.0 222.376907 33.0 223.090469 27.0 224.746292 19.0 224.846634 19.0 230.146301 31.0 233.027054 20.0 249.244705 17.0 261.048767 18.0 261.340271 18.0 263.11557 26.0 297.467499 22.0 299.876862 21.0 306.200745 42.0 321.540466 23.0 324.659546 18.0 326.135651 26.0 326.455597 18.0 328.891357 20.0 330.855621 18.0 331.408478 17.0 336.516693 49.0 355.534027 18.0 356.721313 20.0 357.127106 17.0 365.639618 19.0 384.69812 19.0 385.133362 22.0 409.378784 21.0 419.138 35.0 420.147797 17.0 434.391602 20.0 436.067474 25.999998 475.603455 21.0 491.802734 18.0 492.191345 17.0 535.15155 39.0 539.882141 17.0 557.129456 21.0 604.120239 22.0 612.179199 25.0 635.073975 21.0 636.087158 19.0 654.799438 23.0 767.149475 18.0 803.241516 20.0 807.74469 21.0 813.733826 20.0 892.285645 18.0 908.56134 20.0 1010.181152 26.0 1041.625244 47.0 1044.222534 18.0 1067.972168 18.0 1071.298828 20.0 1073.274902 17.0 1099.198364 20.0 1125.174072 18.0 1143.076538 18.0 1182.755859 23.0 1192.873047 67.0 END IONS BEGIN IONS SCANS=167 PEPMASS=535.1535 CHARGE=-1 COLLISION_ENERGY=0.0 50.169945 18.0 52.288799 26.0 67.108971 20.0 67.874275 21.0 69.190437 19.0 69.529366 48.0 71.583153 36.0 71.863625 37.0 73.052872 22.0 74.092598 18.0 76.318909 18.0 76.401901 18.0 78.474464 18.0 80.023804 40.0 80.475189 20.0 81.587471 22.0 83.41349 17.0 83.525108 24.0 85.48465 64.0 90.30571 21.0 92.02433 110.0 93.016899 22.0 94.097168 21.0 94.229584 18.0 99.224861 25.0 99.23941 18.0 101.018372 18.0 101.639061 28.0 102.073738 21.0 103.024734 18.0 103.987228 18.0 104.222397 17.0 108.020134 225.0 109.02356 37.0 111.861511 19.0 113.996765 20.0 117.551369 24.0 120.244919 18.0 124.75238 34.0 127.712769 30.0 128.335907 18.0 129.927307 24.0 131.703323 20.0 132.397369 20.0 133.011124 18.0 133.448547 20.0 133.887726 29.0 134.055405 19.0 134.157425 20.0 135.000793 18.0 135.030609 12198.292969 135.074829 20.0 135.408173 18.0 135.455048 18.0 135.691727 18.0 136.032974 836.0 136.080811 25.0 136.368301 22.0 136.464249 20.0 136.991135 38.0 137.019516 22.0 137.036652 79.0 137.40834 18.0 137.998947 18.0 138.499008 18.0 140.108063 18.0 140.325119 20.0 141.926788 45.0 142.062683 20.0 147.031952 41.0 152.853271 18.0 152.997986 62.0 153.997757 36.0 155.205887 24.0 157.960037 54.0 159.07988 23.0 160.983246 21.0 170.057419 19.0 171.676544 18.0 172.381134 24.0 177.023987 20.0 177.042374 35.0 179.053329 19.0 180.074112 20.0 181.013458 22.0 183.36261 20.0 187.509186 18.0 197.178589 20.0 198.003769 24.0 198.071823 18.0 198.43129 17.0 199.79541 18.0 199.862 24.0 200.563202 18.0 201.033936 20.0 214.609558 18.0 215.644821 17.0 217.183228 19.0 220.390991 27.0 223.426788 31.0 224.953201 18.0 225.085358 20.0 230.642441 18.0 238.003723 18.0 238.311737 24.0 238.37117 21.0 239.296555 19.0 240.195847 33.0 244.075394 22.0 250.476257 18.0 250.851227 18.0 254.950897 26.0 256.003998 29.0 258.166321 22.0 263.071472 18.0 263.113739 18.0 263.16095 20.0 263.469635 17.0 265.090607 18.0 265.144714 20.0 265.195282 18.0 265.756256 26.0 266.147797 36.0 266.808868 18.0 266.869141 18.0 267.035858 60.0 267.072968 54940.0 267.148285 662.50647 267.177979 32.082981 267.601105 18.0 267.7854 18.0 267.858063 19.0 268.075378 9109.817383 268.173584 18.0 268.329895 18.0 268.527771 17.0 268.928741 22.0 268.946136 18.0 269.015991 18.0 269.077881 846.0 269.136902 18.0 269.807159 18.0 270.076233 21.0 270.178528 18.0 270.474152 18.0 271.547455 20.0 271.85318 20.0 272.267639 21.0 274.472504 19.0 284.473511 19.0 284.80777 22.0 286.641541 26.0 292.441864 32.0 297.175262 19.0 307.479797 22.0 323.337494 27.0 326.373444 18.0 328.026184 17.0 330.069885 27.0 343.859711 17.0 346.99881 18.0 348.550049 20.0 364.089905 20.0 377.921478 20.0 379.057556 22.0 393.540741 23.0 411.913391 20.0 434.236877 18.0 435.251556 60.0 451.18396 18.0 471.183655 19.0 473.195343 19.0 474.239624 18.0 474.926514 19.0 483.714691 20.0 483.781494 18.0 508.41748 23.0 533.226868 26.0 534.113708 17.0 534.304871 18.0 535.153442 592.0 535.294312 99.0 536.151367 55.0 537.091187 18.0 537.166504 31.0 598.158997 36.0 616.075806 18.0 628.766663 18.0 635.036133 39.0 635.098755 17.0 636.289673 37.0 637.623962 18.0 654.710693 18.0 656.53064 22.0 716.949585 18.0 805.228027 20.0 826.23645 19.0 839.219421 25.0 859.170532 21.0 862.18811 18.0 959.270142 21.0 985.257324 18.0 1059.875488 18.0 1071.315308 42.0 1095.369263 17.0 1122.589111 18.0 1124.202515 18.0 END IONS BEGIN IONS SCANS=168 PEPMASS=267.07287 CHARGE=-1 COLLISION_ENERGY=0.0 50.079121 21.0 50.571011 18.0 51.546471 21.0 52.216286 23.0 59.914104 22.0 59.982227 23.0 65.013168 23.0 65.999062 87.0 66.952011 19.0 67.713921 18.0 69.26667 25.0 70.816612 22.0 71.01619 18.0 72.609924 18.0 72.706619 18.0 73.937302 32.0 75.927307 28.0 76.621307 18.0 78.602478 26.0 79.029007 36.0 80.025269 45.0 83.786758 21.0 86.396057 20.0 87.005714 18.0 89.023636 18.0 90.670502 21.0 91.657829 18.0 92.024666 1676.0 93.026711 151.0 94.563255 21.0 96.957123 56.0 97.883354 20.0 99.045021 28.0 104.165359 27.0 105.755318 21.0 106.028069 52.0 106.043671 48.364159 107.027374 18.0 107.781517 17.0 108.020325 2198.919922 108.328148 18.0 108.960007 18.0 109.024803 179.828079 111.064728 20.0 111.458313 22.0 116.051567 22.0 119.034386 42.0 119.557808 18.0 122.488632 18.0 123.676842 20.0 123.827248 21.0 124.559319 18.0 129.130768 18.0 129.84166 22.0 131.073517 18.0 133.142822 18.0 133.36319 17.0 133.422272 20.0 133.530121 23.0 134.028229 176.0 134.085175 18.0 134.935135 18.0 134.998657 19.0 135.031128 64633.648438 135.058105 39.0 135.083893 972.612915 135.135117 23.0 135.1577 41.0 135.19516 18.0 135.347153 35.0 135.367462 19.0 135.403824 17.0 135.51091 20.0 135.563766 25.0 135.655853 18.0 135.68454 18.0 135.815887 18.0 136.033829 5356.229492 136.069382 18.0 136.119507 18.0 136.23291 31.0 136.263504 18.0 136.493546 18.0 136.794098 18.0 136.827942 18.0 136.847717 18.0 137.036682 291.151733 137.214264 18.0 137.383575 22.0 137.434692 35.0 137.658051 17.0 137.674835 19.0 137.905731 20.0 138.030212 20.0 139.50441 18.0 139.633133 18.0 141.083878 18.0 142.228714 18.0 143.06723 19.0 144.545059 19.0 145.915359 24.0 147.034378 20.0 148.023209 31.0 148.556 24.0 149.045914 418.578857 149.276764 51.0 150.053986 63.0 150.50531 19.0 159.034042 18.0 159.391479 20.0 159.898636 21.0 160.781464 31.0 161.894608 17.0 164.000946 26.0 166.051437 20.0 166.737762 19.0 167.076584 21.0 171.272049 20.0 171.787506 18.0 173.715729 18.0 173.963837 18.0 177.040924 311.0 177.068695 18.0 177.126709 17.0 177.904709 28.0 178.041199 18.0 179.051178 18.0 179.072571 19.0 179.142975 20.0 180.395233 18.0 181.017609 25.0 181.034103 20.0 184.579285 21.0 185.45195 18.0 187.060364 18.0 187.633072 19.0 189.905533 18.0 190.60881 18.0 191.167465 22.0 192.460983 26.0 192.859238 22.0 194.082016 19.0 195.932648 22.0 197.393204 18.0 200.773636 22.0 201.040634 20.0 201.945389 22.0 202.045425 18.0 202.942886 20.0 205.258087 33.0 206.842468 22.0 207.872818 18.0 210.037048 30.0 213.045151 20.0 216.538498 18.0 220.85675 41.0 222.858398 56.0 223.161682 18.0 224.342178 39.0 224.866028 41.0 225.093231 27.0 228.480911 19.0 230.924896 20.0 231.052795 42.0 234.695435 17.0 238.861389 21.0 240.088257 30.0 240.843033 24.0 240.879776 18.0 243.777542 17.0 249.06369 82.0 250.14386 18.0 251.90126 19.0 252.425079 18.0 256.661316 43.0 258.919708 18.0 263.326752 24.0 266.143585 97.0 266.232788 18.0 266.435303 39.0 266.756439 20.0 267.016144 18.0 267.073822 22488.408203 267.149139 253.002014 267.182312 18.0 267.343628 20.0 267.40802 22.0 267.833008 20.0 267.919403 18.0 268.021851 24.0 268.075928 3837.410889 269.075775 428.0 270.125458 18.0 271.602814 18.0 271.881744 20.0 272.990997 18.0 273.60257 18.0 273.698395 17.0 279.388702 20.0 281.634094 23.0 284.54129 22.0 284.787262 19.0 286.48053 23.0 291.250946 19.0 292.838654 19.0 294.839966 18.0 304.973785 48.0 309.836487 22.0 316.359711 33.0 320.02771 19.0 328.950592 19.0 329.511536 18.0 331.585938 21.0 334.391205 18.0 338.0159 19.0 347.384308 20.0 359.707336 24.0 367.052917 26.0 410.13028 20.0 425.102356 18.0 437.327393 17.0 441.548615 23.0 459.410217 22.0 467.002289 20.0 487.10907 18.0 498.806702 18.0 504.599823 22.0 535.160278 40.0 539.484741 18.0 543.150452 18.0 550.257629 20.0 558.129639 22.0 566.815125 20.0 572.123535 18.0 601.955322 26.0 605.030823 29.0 635.243835 18.0 637.46936 17.0 790.362 22.0 803.220032 42.0 828.167358 20.0 848.344971 38.0 867.210754 19.0 941.405762 18.0 1073.862305 26.0 1107.268799 25.0 1110.805664 19.0 1177.256226 18.0 END IONS BEGIN IONS SCANS=169 PEPMASS=460.09419 CHARGE=0 COLLISION_ENERGY=0.0 52.512394 29.0 55.197353 18.0 58.043076 20.0 59.757988 23.0 61.886314 20.0 61.987827 1100.0 62.002796 17.0 62.289864 20.0 62.653812 26.0 62.987907 20.0 67.933754 25.0 69.009651 17.0 69.765862 17.0 72.564987 18.0 89.020943 28.0 92.920029 22.0 106.599045 24.0 111.382065 17.0 113.826721 22.0 115.53759 19.0 123.379654 20.0 126.450714 39.0 127.050949 18.0 129.804825 18.0 135.030487 21.0 136.986221 37.0 145.921112 18.0 146.969559 58.0 148.155136 18.0 148.48082 23.0 156.3638 18.0 156.801178 19.0 159.438782 30.0 163.500687 23.0 164.104813 25.0 166.051056 20.0 170.101944 18.0 191.028854 20.0 192.847549 18.0 198.968811 18.0 203.682541 21.0 205.047882 18.0 207.11203 19.0 211.28743 18.0 211.588226 18.0 219.919861 27.0 221.1483 18.0 221.920013 17.0 222.868408 27.0 230.846436 18.0 234.957626 20.0 243.931717 58.0 247.000824 18.0 256.311798 18.0 262.89566 18.0 265.155762 20.0 269.857574 22.0 272.865692 24.0 274.304718 19.0 278.339905 18.0 286.859924 18.0 287.57785 18.0 293.298096 17.0 298.804443 20.0 299.756989 18.0 304.03125 19.0 306.99588 17.0 310.965271 18.0 311.895721 18.0 319.924377 20.0 323.816132 18.0 323.911163 20.0 326.186829 49.0 327.809753 17.0 329.03009 18.0 331.891876 20.0 331.970459 18.0 339.188782 23.0 340.198059 20.0 345.200867 21.0 346.857544 19.0 358.115387 18.0 367.000305 29.0 368.972351 20.0 382.941589 24.0 396.96991 18.0 398.682037 20.0 405.069 25.0 414.043274 20.0 415.038147 28.0 430.483643 21.0 434.135437 20.0 443.1073 20.0 443.241669 30.0 450.414368 18.0 451.308258 21.0 453.993195 22.0 454.090424 18.0 459.321838 43.0 460.094727 257.0 460.344818 20.0 461.098083 57.0 461.264435 20.0 464.022552 18.0 467.859406 19.0 526.500916 18.0 532.084839 25.0 554.668823 18.0 564.143982 20.0 576.156433 20.0 593.253845 17.0 595.299133 35.0 597.297485 127.0 598.307373 19.0 599.33374 18.0 625.782043 18.0 628.018677 26.0 643.015564 18.0 662.069031 18.0 707.540833 20.0 715.350647 20.0 735.528748 20.0 742.222473 23.0 747.9823 23.0 751.096985 18.0 755.198853 17.0 757.255127 26.0 799.53418 20.0 807.273132 24.0 837.445862 30.0 842.170776 20.0 871.859314 18.0 900.096863 38.0 954.382446 32.0 996.169006 17.0 996.223511 17.0 1009.609497 35.0 1062.531616 18.0 1072.088257 18.0 1083.68689 18.0 1100.668213 28.0 1131.653809 18.0 1136.355103 20.0 1139.400146 18.0 1146.49939 17.0 1154.645996 23.0 1163.483276 20.0 END IONS BEGIN IONS SCANS=170 PEPMASS=597.30363 CHARGE=-1 COLLISION_ENERGY=0.0 54.517857 19.0 55.225853 20.0 59.174103 18.0 59.37405 18.0 68.015732 30.0 69.482483 20.0 71.077545 21.0 71.487839 17.0 72.069336 17.0 75.290565 30.0 78.957619 157.0 82.683586 18.0 91.358887 20.0 92.599815 20.0 92.705559 18.0 96.968956 43.0 97.057922 22.0 98.240517 17.0 98.7612 17.0 99.044327 22.0 100.17984 17.0 105.661743 17.0 112.983727 18.0 113.872368 20.0 119.321846 65.0 122.114471 19.0 136.99617 20.0 141.013733 18.0 144.257065 36.0 145.937851 18.0 146.965652 18.0 150.756607 20.0 152.708649 18.0 152.99559 4667.740234 154.00087 374.0 154.660706 18.0 154.781052 23.0 154.999329 64.0 156.899033 21.0 161.227905 17.0 171.002869 250.0 175.446564 28.0 186.978073 19.0 203.908371 31.0 209.996246 17.0 211.938004 18.0 212.015976 17.0 214.046677 18.0 218.007782 18.0 222.999878 547.0 224.002594 95.0 225.008942 22.0 229.951126 19.0 234.637802 18.0 241.011246 1830.0 242.015305 122.0 243.014084 37.0 245.403854 28.0 245.856384 18.0 247.235748 20.0 247.939087 19.0 251.123642 20.0 251.236618 29.0 255.446289 23.0 259.02243 192.0 260.030548 41.0 262.854156 19.0 263.939056 37.0 266.156708 18.0 277.214355 18.0 279.232178 273.0 280.236755 456.058533 280.28006 18.0 280.626068 17.0 281.248108 4556.0 282.25296 822.0 283.257507 92.0 287.443268 17.0 303.03009 21.0 314.901367 18.0 315.047699 1474.0 315.230743 19.0 316.050568 230.0 316.559204 18.0 317.044464 46.0 333.059692 81.0 335.41925 17.0 335.662781 18.0 352.719177 18.0 353.675507 17.0 371.675781 21.0 372.295319 18.0 390.02475 17.0 400.862854 19.0 417.239288 94.0 418.233429 58.0 430.727356 24.0 435.272156 18.0 446.579834 23.0 469.847229 17.0 485.016449 21.0 489.044556 34.0 506.266693 18.0 506.878418 18.0 513.161499 18.0 560.421082 18.0 563.179138 18.0 569.268799 17.0 588.456909 18.0 589.429199 21.0 589.482178 18.0 593.25824 18.0 595.284973 18.0 596.291321 1514.0 597.142761 34.0 597.304077 12141.655273 597.437561 20.0 598.306519 3819.0 598.485229 18.0 599.198059 18.0 599.309875 829.400024 600.322021 232.0 601.328003 20.0 605.360168 18.0 606.406555 18.0 619.846436 27.0 639.815552 20.0 697.220215 22.0 726.279785 18.0 761.644592 40.0 792.445007 20.0 865.39386 18.0 902.800964 18.0 905.474365 27.0 948.549316 26.000002 984.210876 18.0 988.256287 20.0 1003.318298 18.0 1016.489014 20.0 1036.219238 23.0 1044.415039 22.0 1071.672119 21.0 1147.102417 18.0 1160.404663 19.0 1171.201294 21.0 1178.331665 21.0 1185.260742 18.0 1191.032715 20.0 END IONS BEGIN IONS SCANS=171 PEPMASS=595.28803 CHARGE=-1 COLLISION_ENERGY=0.0 52.815681 28.0 65.510262 17.0 77.155472 18.0 78.95813 349.0 82.019073 18.0 86.58593 18.0 86.913544 29.0 92.986618 26.0 94.102463 26.0 95.73082 17.0 96.967438 56.0 103.525406 23.0 117.932838 27.0 118.0812 26.0 126.953735 17.0 128.262177 19.0 133.489471 17.0 139.492111 18.0 141.41864 18.0 141.633118 18.0 146.965317 38.0 152.995819 6666.0 153.021027 46.0 153.053436 18.0 153.166092 18.0 153.999741 156.0 154.999039 56.0 155.353058 20.0 157.844345 19.0 161.883972 20.0 167.87886 18.0 169.972397 18.0 171.005539 247.0 176.937744 28.0 179.053574 23.0 196.599136 21.0 196.907822 19.0 202.916916 18.0 204.994553 26.0 208.332321 22.0 208.397507 17.0 208.927841 18.0 211.810852 26.0 213.027878 19.0 220.249496 22.0 223.000793 643.679504 224.00885 104.0 228.53714 18.0 228.799042 18.0 241.012497 2564.033447 242.013947 320.0 242.130646 19.0 243.008896 22.0 256.615234 18.0 257.250732 19.0 259.024139 241.0 260.728333 25.0 261.223236 20.0 265.141663 23.0 266.685486 17.0 270.101288 18.0 271.861847 42.0 277.218842 41.0 278.21933 17.0 278.765778 18.0 279.232788 3614.0 280.089844 39.0 280.237732 806.0 280.346283 18.0 280.981934 18.0 281.182098 26.0 281.248749 3384.0 281.638763 18.0 281.869598 20.0 282.253052 672.0 283.262787 45.0 286.270355 18.0 301.716919 18.0 310.47226 17.0 310.575958 18.0 311.453217 17.0 315.048218 3322.0 315.100616 22.0 316.050903 425.999969 316.10965 21.0 317.051178 36.0 327.704468 18.0 330.728546 24.0 333.055634 164.0 333.129883 18.0 334.743347 20.0 334.849243 18.0 335.064911 18.0 372.062439 17.0 379.115387 18.0 398.273987 18.0 411.164948 18.0 417.244385 73.393188 438.349121 23.0 451.078278 18.0 472.851593 19.0 473.004578 25.0 480.118164 54.0 555.391296 20.0 557.962769 18.0 560.246399 18.0 569.256287 18.0 589.49292 18.0 594.27594 116.0 595.289429 9407.0 595.480835 18.0 595.658386 20.0 596.293518 2992.052979 596.791748 17.0 597.303589 9550.700195 597.524719 41.0 598.308289 2242.0 598.751831 18.0 598.784729 22.0 599.312927 158.0 600.100464 19.0 600.7547 22.999998 602.508789 22.0 605.566284 18.0 610.368591 18.0 675.788757 19.0 791.734497 19.0 801.207275 21.0 816.288818 19.0 863.509949 18.0 890.299377 18.0 901.57959 25.0 935.270447 22.0 961.36969 25.0 1104.510376 18.0 1177.715576 19.0 1180.630371 19.0 1183.583008 26.0 1193.579102 24.0 END IONS BEGIN IONS SCANS=172 PEPMASS=569.27257 CHARGE=0 COLLISION_ENERGY=0.0 52.027763 20.0 53.916103 29.0 55.996128 20.0 60.139946 17.0 60.52158 20.0 65.344765 19.0 67.632973 21.0 72.646339 20.0 74.025192 34.0 74.83226 18.0 76.279671 18.0 78.954758 126.0 83.581116 19.0 85.110168 17.0 90.660629 17.0 91.655251 22.0 94.207253 19.0 97.181961 18.0 98.204071 22.0 102.212708 17.0 108.325264 18.0 116.928711 21.0 122.384369 18.0 125.873161 21.0 134.001144 22.0 134.728821 24.0 146.962357 21.0 150.978851 20.0 152.995712 1572.869141 153.99826 20.0 154.99881 21.0 168.138916 28.0 170.956589 18.0 171.009338 38.0 172.924088 27.0 173.008591 23.0 178.97316 19.0 181.068787 18.0 187.275955 23.0 187.711487 20.0 199.611404 20.0 204.056885 20.0 212.125107 18.0 213.15863 24.0 213.574738 18.0 213.957367 19.0 216.476013 18.0 218.850021 20.0 222.999817 196.0 235.297485 20.0 237.109848 22.0 241.012848 783.0 242.017029 36.0 246.857193 18.0 249.528488 20.0 252.464203 22.0 253.170761 21.0 253.216232 1706.299683 254.221329 262.0 255.122604 18.0 255.224518 146.0 259.025208 60.0 263.435486 19.0 263.792877 18.0 269.04892 21.0 273.058441 22.0 283.067993 45.0 299.154266 18.0 311.175385 73.0 314.220459 18.0 315.048553 741.0 316.039673 18.0 329.823914 18.0 333.059601 62.0 354.638947 26.0 355.08847 25.0 359.850372 20.0 367.175446 40.0 369.172028 18.0 373.842224 27.0 381.366089 37.0 392.08548 27.0 394.028931 18.0 399.933563 18.0 407.22168 19.0 420.28064 20.0 423.078064 20.0 457.800232 22.0 461.100891 36.0 462.218994 29.0 462.758453 18.0 480.025513 23.0 489.11618 21.0 507.171204 20.0 509.853363 18.0 521.997803 18.0 522.244263 25.0 551.203796 21.0 552.189819 18.0 567.766418 17.0 568.966553 17.0 569.27356 4134.657715 569.464722 18.0 570.156982 18.0 570.275513 1246.569824 570.395081 18.0 570.649353 18.0 571.04425 46.0 571.281982 620.882446 572.187256 17.0 572.279846 80.0 572.333923 39.0 577.718262 25.0 580.716431 22.0 593.265747 20.0 595.293579 29.0 597.297485 47.0 598.312317 18.0 624.310608 18.0 702.17627 18.0 709.271423 22.0 724.295471 18.0 788.17865 18.0 816.450928 20.0 884.549011 25.0 986.330322 18.0 1007.353088 20.0 1082.167969 18.0 1148.275146 21.0 1193.596558 18.0 END IONS BEGIN IONS SCANS=173 PEPMASS=443.10393 CHARGE=0 COLLISION_ENERGY=0.0 50.356434 20.0 53.946579 31.0 57.11573 17.0 58.310444 18.0 59.013889 203.0 60.017891 18.0 61.41938 23.0 61.990604 18.0 66.899605 17.0 67.019707 18.0 67.280304 17.0 69.035545 22.0 70.695015 17.0 71.013313 331.0 72.01503 39.0 72.449684 20.0 73.029404 58.0 77.668205 20.0 83.014999 17.0 84.469475 18.0 85.014717 18.0 85.03157 76.0 87.008415 201.0 87.045883 54.0 89.024132 1107.0 91.028908 20.0 97.028786 37.0 97.674248 20.0 99.043663 21.0 100.874878 17.0 101.024178 770.72052 103.03228 19.0 105.731148 18.0 106.075073 18.0 112.060989 20.0 113.023788 285.115479 115.814354 20.0 116.706131 24.0 117.021004 26.0 118.935768 18.0 119.035172 823.653992 119.178452 19.0 120.036591 38.0 121.037117 21.0 125.024429 72.0 127.039948 19.0 129.020401 47.0 129.626999 18.0 131.039368 46.0 131.102203 20.0 136.991425 20.0 139.443802 18.0 140.124512 35.0 143.035507 327.0 144.596039 20.0 149.047943 126.0 154.063705 22.0 155.833496 17.0 156.174133 18.0 158.980377 22.0 161.046539 388.0 163.259537 36.0 167.015976 18.0 167.039413 20.0 172.059113 18.0 174.531799 18.0 179.023849 20.0 179.054367 1724.253906 180.056717 94.0 182.730865 28.0 190.117508 18.0 198.075577 25.0 204.782074 18.0 205.787659 17.0 209.073303 23.0 212.88942 20.0 215.965637 27.0 217.078918 17.0 221.001175 18.0 221.072418 23.0 223.041336 18.0 226.925339 18.0 229.034241 26.0 230.61116 18.0 234.905396 26.0 237.947586 22.0 249.177032 17.0 253.255737 22.0 260.120361 36.0 265.121307 48.995213 265.145569 30.0 267.100464 18.0 278.18692 24.0 278.803802 26.0 281.253021 47.0 285.042175 17.0 287.874176 18.0 298.094604 22.0 305.086334 139.0 314.746033 18.0 318.080322 18.0 323.097076 1785.970825 324.097229 226.0 325.107178 63.0 325.18161 17.0 325.437561 18.0 330.207306 20.0 337.626953 18.0 340.488342 20.0 341.107635 6723.867188 342.11145 874.0 342.160645 18.0 342.222321 22.0 342.398193 24.0 343.110443 240.0 343.190216 18.0 349.244568 18.0 349.530853 21.0 351.083099 37.0 355.007111 21.0 356.634888 18.0 356.906097 17.0 362.993713 20.0 369.10495 445.0 370.101349 21.0 371.104401 21.0 371.986237 33.0 383.107117 18.0 383.180878 20.0 391.928223 20.0 397.09964 74.0 402.243011 20.0 402.970551 21.0 404.015228 18.0 410.171844 20.0 411.375275 23.0 415.102722 17.0 442.252686 24.0 443.106567 348.0 443.409912 20.0 444.106537 58.0 445.127533 73.481575 445.2948 18.0 449.359344 27.0 461.10025 22.0 467.137177 20.0 476.060059 20.0 476.663605 29.0 482.165924 28.0 483.078217 22.0 493.093567 18.0 516.022583 25.999998 519.102478 17.0 543.032776 29.0 543.402649 17.0 565.155457 20.0 569.284973 43.0 570.276306 27.0 597.309875 94.0 598.309692 38.0 623.314636 18.0 624.315735 18.0 625.272034 18.0 643.209595 39.0 661.177185 25.0 667.879578 20.0 669.204712 17.0 669.654236 20.0 710.253662 33.0 715.13623 19.0 716.36731 20.0 718.804688 23.0 737.326599 24.0 746.598328 18.0 759.830261 20.0 795.34137 21.0 814.359253 20.0 870.094055 20.0 906.100281 18.0 962.244324 26.0 993.384644 22.0 1031.303833 22.0 1035.557739 21.0 1047.114258 21.0 1080.119873 18.0 1092.908081 18.0 1108.398926 21.0 1114.561523 19.0 1119.400879 18.0 1130.398193 17.0 1139.309326 18.0 1197.373901 23.0 END IONS BEGIN IONS SCANS=174 PEPMASS=460.09415 CHARGE=-1 COLLISION_ENERGY=0.0 51.31918 20.0 61.091946 20.0 61.987625 3855.462402 62.339657 18.0 62.468594 19.0 62.604015 20.0 62.662514 18.0 62.913624 18.0 63.284218 17.0 63.986004 17.0 65.946121 18.0 71.743034 18.0 80.924187 24.0 82.980843 20.0 83.806755 18.0 87.314468 20.0 98.545914 20.0 110.729134 17.0 119.457298 18.0 119.681145 28.0 121.57975 22.0 124.305809 19.0 126.18499 19.0 129.9776 35.0 130.038132 25.0 136.971451 22.0 137.025772 29.0 140.938004 18.0 150.900482 18.0 151.027008 18.0 152.894394 22.0 162.885696 17.0 163.369308 20.0 164.525558 24.0 166.091476 17.0 180.154755 21.0 182.957047 18.0 189.858215 18.0 192.118851 17.0 202.963806 17.0 203.069366 21.0 203.864868 20.0 204.219742 21.0 207.718185 18.0 208.856247 18.0 209.921402 20.0 219.167297 20.0 221.946274 18.0 225.927536 33.0 227.037888 18.0 234.959183 26.0 241.148285 18.0 248.551559 18.0 265.148346 20.0 268.932739 18.0 268.978638 19.0 290.030731 18.0 293.638184 18.0 304.894958 17.0 305.660583 20.0 311.159973 17.0 322.838013 19.0 327.10141 25.0 328.927124 20.0 337.231445 23.0 348.096771 18.0 356.767365 23.0 370.905762 18.0 379.073303 37.0 398.982178 21.0 404.75293 26.0 414.084534 28.0 415.038055 17.0 418.278748 17.0 421.134766 19.0 460.003235 25.0 460.095032 1074.0 460.338898 42.0 461.098328 234.999985 461.141693 21.0 461.966034 17.0 462.086548 29.0 462.469116 22.0 462.718994 18.0 464.297821 37.0 468.518188 26.0 472.937531 18.0 481.062347 43.0 515.04303 47.0 541.140625 18.0 578.241638 18.0 611.107727 18.0 620.524719 17.0 681.173096 18.0 776.79657 20.0 871.806213 28.0 967.385132 18.0 1018.132568 28.0 1030.937988 31.0 1066.275146 18.0 1088.951294 28.0 1170.634644 18.0 END IONS BEGIN IONS SCANS=175 PEPMASS=609.1454 CHARGE=0 COLLISION_ENERGY=0.0 51.932129 38.0 59.452644 20.0 61.078682 22.0 61.688408 24.0 64.719177 18.0 65.067963 18.0 74.48465 18.0 75.309563 18.0 88.305634 17.0 89.67038 20.0 90.720909 29.0 91.783257 29.0 96.96859 18.0 101.391029 21.0 103.063919 18.0 106.099731 17.0 106.835312 20.0 118.551147 18.0 118.946472 18.0 119.88121 18.0 126.256386 44.0 128.673126 41.0 128.818741 20.0 132.583984 25.0 133.371445 17.0 136.566437 18.0 147.467285 17.0 151.002258 65.0 152.006638 18.0 153.975662 26.0 157.899185 18.0 158.146118 18.0 158.936081 26.0 167.337433 17.0 169.020737 35.0 169.048996 26.0 176.416443 18.0 177.025757 18.0 179.000259 53.0 179.033676 18.0 184.131989 18.0 190.018814 18.0 191.033722 18.0 195.496384 20.0 205.043777 20.0 211.029053 20.0 211.447083 18.0 215.057068 18.0 224.45018 18.0 231.065125 24.0 234.198578 19.0 241.645676 18.0 255.028519 41.0 257.046204 29.0 261.54007 21.0 263.022858 22.0 271.028442 87.0 272.037292 51.0 273.029388 19.0 283.042786 17.0 296.021149 23.0 296.479706 22.0 300.026489 2080.955322 300.082031 31.699726 300.198975 20.0 301.033722 1485.0 301.132843 17.0 302.036682 209.0 302.573517 20.0 302.799774 18.0 303.032013 39.376026 303.052307 17.833382 311.023865 17.0 317.238586 25.0 325.30249 17.0 326.096802 21.0 343.05777 19.0 344.055084 17.0 351.609711 20.0 366.210999 23.0 376.85553 18.0 382.413422 17.0 388.998932 20.0 390.579773 21.0 395.472687 17.0 403.743652 18.0 405.973846 33.0 425.12735 18.0 432.293365 22.0 436.193359 17.0 439.080566 18.0 447.094971 22.0 450.079742 19.0 452.936676 18.0 453.153961 18.0 465.282806 18.0 488.074585 17.0 491.120544 19.0 495.172974 20.0 503.096344 18.0 504.983276 18.0 518.103821 20.0 524.212952 22.0 528.020203 18.0 541.062256 37.0 545.265381 22.0 565.113037 18.0 568.743835 22.0 574.22998 18.0 575.138733 19.0 577.144043 18.0 600.023499 20.0 608.335815 27.0 609.074463 51.0 609.145874 4426.09082 609.287048 18.0 610.062622 22.0 610.148499 1363.0 610.232422 72.0 610.29718 18.0 611.150208 310.0 611.792847 20.0 612.147827 120.0 698.230652 18.0 813.143555 17.0 828.018494 17.0 944.61615 17.0 973.334412 19.0 987.54303 33.0 993.925659 65.0 1086.206787 17.0 1093.485596 32.0 1136.392456 18.0 1142.257812 22.0 1179.386475 18.0 1192.380493 18.0 1196.402588 24.0 END IONS BEGIN IONS SCANS=176 PEPMASS=380.1556 CHARGE=-1 COLLISION_ENERGY=0.0 50.710987 23.0 59.012253 115.0 59.223568 27.0 59.870506 19.0 60.096706 19.0 61.354073 18.0 61.422489 21.0 61.986027 20.0 65.682358 20.0 68.995789 27.0 71.013016 470.0 71.049377 18.0 71.318146 17.0 71.439346 18.0 72.017586 86.0 72.968971 17.0 74.170135 19.0 79.087486 18.0 81.234917 23.0 82.441063 18.0 84.65567 17.0 85.026161 62.0 86.277626 20.0 87.009636 18.0 88.040382 101.0 89.023216 133.0 89.189911 24.0 90.027634 17.0 94.802353 20.0 98.063095 19.0 99.053497 18.0 101.022774 325.862 103.039307 19.0 105.927467 18.0 106.822342 20.0 110.734695 24.0 110.790764 20.0 112.507797 18.0 112.588623 19.0 112.623352 19.0 112.987961 18.0 113.025322 149.0 114.029564 20.0 116.036949 66.0 116.070686 17.0 117.034378 24.0 117.054405 18.0 118.226852 22.0 119.033051 149.0 120.042122 23.0 120.180214 28.0 121.941208 22.0 122.734558 20.0 124.369186 19.0 125.208595 24.0 126.091667 22.0 128.03479 21.0 128.072327 59.0 129.076904 22.0 131.037048 18.0 133.779663 29.0 134.057175 22.0 136.01474 17.0 136.993607 36.0 137.015137 25.0 137.030807 46.109051 137.458755 18.0 138.955978 18.0 140.505219 52.0 142.940445 20.0 144.94632 25.0 146.081375 2635.0 146.581131 20.0 147.034225 22.0 147.084351 250.0 148.042603 20.0 148.082916 21.0 151.023209 45.0 156.804184 18.0 157.742401 33.0 160.027634 17.0 160.924698 19.0 161.041855 73.0 161.227554 17.0 163.005157 18.0 163.051254 18.0 164.058701 18.0 164.132233 19.0 168.520737 20.0 174.865631 23.0 175.0242 41.0 175.118759 21.0 177.037125 23.0 177.175659 18.0 179.051041 18.0 182.321655 19.0 182.913742 33.0 183.030533 24.0 183.065933 22.0 188.096527 22.0 191.021927 18.0 200.095673 84.0 203.049652 17.0 203.082245 53.0 210.931335 23.0 213.950287 23.0 214.198486 19.0 216.944244 17.0 217.084518 19.0 217.970566 18.0 218.104721 37.0 218.518829 28.0 219.330276 19.0 220.914963 18.0 221.02858 22.0 226.805847 20.0 229.049576 35.0 229.91275 21.0 232.086639 28.0 234.274216 21.0 245.879059 20.0 254.961838 19.0 259.785278 20.0 260.111664 38.0 263.11264 124.999992 263.729095 18.0 267.082794 18.0 269.700226 22.0 270.305725 25.0 276.975983 24.0 280.20993 24.0 285.920227 20.0 290.122559 28.0 290.926849 20.0 291.266571 20.0 296.701813 49.0 298.038696 24.0 303.126404 19.0 304.5737 20.0 305.053314 33.0 307.64798 21.0 308.133179 596.0 309.146301 84.0 310.139954 20.0 311.038605 20.0 315.100647 18.0 318.076599 22.0 319.023865 20.0 324.919312 23.0 329.921967 22.0 334.235901 20.0 346.952057 18.0 347.874512 24.0 362.146942 56.0 362.372253 18.0 363.867676 20.0 373.496857 22.0 375.074768 19.0 380.155884 5892.693359 381.159058 958.0 381.217926 43.0 381.908051 20.0 382.161224 185.0 382.35434 20.0 383.898956 20.0 385.027161 20.0 385.484375 23.0 388.405487 17.0 389.412262 18.0 399.742615 18.0 401.167328 20.0 409.61087 18.0 413.273346 25.0 419.528656 22.0 420.940338 17.0 436.311432 17.0 443.162018 17.0 460.091644 17.0 513.178772 18.0 547.552795 27.0 569.285461 31.000002 597.308228 19.0 609.133606 19.0 709.604126 17.0 784.304382 18.0 837.338318 18.0 844.184937 17.0 933.030701 22.0 961.48468 27.0 1001.324097 20.0 1084.813965 24.0 1125.89209 18.0 1142.429688 22.0 1160.167358 22.0 1183.271973 18.0 1194.588379 18.0 END IONS BEGIN IONS SCANS=177 PEPMASS=460.09422 CHARGE=0 COLLISION_ENERGY=0.0 51.238243 17.0 52.408005 18.0 55.551754 21.0 58.403683 20.0 61.987495 938.0 63.990452 18.0 64.160904 17.0 69.000183 45.0 70.492477 20.0 74.845657 19.0 76.709831 18.0 85.095108 20.0 86.885818 21.0 92.789322 18.0 94.983162 26.0 95.441414 17.0 100.153053 18.0 101.626709 18.0 108.032066 18.0 108.77066 20.0 116.549721 20.0 121.719025 18.0 123.590843 20.0 133.989304 19.0 140.013351 22.0 142.078354 23.0 146.965775 75.0 159.078094 28.0 160.937317 22.0 161.899139 25.0 166.050964 20.0 167.035828 94.0 167.063324 19.0 170.405685 22.0 172.012833 21.0 173.06192 20.0 174.034576 24.0 177.013489 19.0 180.665115 23.0 184.105179 24.0 186.613754 18.0 194.900681 19.0 195.975342 22.0 200.947891 27.0 201.047577 17.0 207.221405 22.0 221.96991 23.0 229.962753 22.0 235.773621 18.0 239.970535 18.0 240.971039 23.0 247.819626 20.0 259.98172 29.0 263.759796 19.0 263.955017 19.0 265.917969 20.0 267.154968 22.0 270.799957 20.0 270.864014 19.0 272.060791 18.0 282.64386 20.0 282.844116 20.0 294.009247 17.0 297.154114 22.0 298.204376 20.0 298.870331 17.0 302.042389 19.0 302.373932 19.0 311.165497 19.0 318.896027 20.0 322.27121 18.0 325.194611 21.0 327.079163 18.0 339.192291 18.0 345.513916 18.0 351.00531 20.0 351.923309 23.0 354.045349 25.0 357.824463 19.0 358.200775 18.0 369.54599 33.0 374.925598 25.0 375.963959 25.0 378.564209 18.0 383.608002 40.0 385.065125 18.0 387.864746 24.0 405.309387 18.0 405.9758 18.0 410.708984 23.0 414.891083 20.0 438.464386 22.0 459.731018 18.0 460.098816 149.0 460.137543 26.0 460.225616 18.0 461.098297 62.011192 461.133392 43.0 461.390533 21.0 462.132721 21.0 462.191315 18.0 476.06488 18.0 481.118896 20.0 497.656036 17.0 509.112762 22.0 533.3927 18.0 588.316589 18.0 649.253967 47.0 651.835693 22.0 730.476013 18.0 762.7901 23.0 788.23761 23.0 851.427979 18.0 862.095825 21.0 881.042664 26.0 891.157104 26.0 956.054504 26.0 1035.767822 19.0 1052.928223 18.0 1073.751587 39.0 1089.277588 18.0 1110.402588 39.0 1161.264893 17.0 1163.994873 32.0 END IONS BEGIN IONS SCANS=178 PEPMASS=174.04027 CHARGE=-1 COLLISION_ENERGY=0.0 51.350071 22.0 55.643032 19.0 57.905762 18.0 58.028244 492.0 58.043457 20.0 59.014641 214.88353 59.036537 28.0 61.988064 24.0 68.282677 29.0 69.071938 18.0 70.027832 152.618729 71.012436 404.0 72.659187 20.0 72.85495 18.0 73.778137 20.0 75.433838 19.0 75.716835 20.0 78.372902 17.0 82.846245 18.0 83.016212 18.0 83.930779 38.0 84.046043 35.0 84.680367 18.0 84.929718 20.0 85.027969 57.0 85.068108 18.0 85.941254 45.0 86.060715 20.0 86.773682 19.0 86.949364 18.0 87.004745 20.0 87.04538 18.0 88.039856 8248.0 88.971672 17.0 89.043221 383.360382 89.134392 17.0 89.435471 20.0 92.389244 20.0 93.371468 21.0 93.72303 18.0 95.812859 20.0 95.919518 30.0 96.492661 21.0 96.993645 371.0 97.027809 18.0 97.417389 18.0 97.99765 22.0 98.996979 18.0 99.623138 23.0 100.931915 21.0 105.894447 18.0 108.119446 18.0 109.162277 18.0 111.045441 22.0 112.039391 317.0 113.029495 20.0 113.044601 20.0 113.61055 17.0 114.018585 989.0 114.04071 18.0 114.825073 19.0 115.003281 1403.023193 116.005486 84.0 117.005173 37.0 119.055534 25.0 121.336006 20.0 122.019173 36.0 123.780045 40.0 125.268593 27.0 129.014648 18.0 130.050095 1340.0 131.029999 18.0 131.053268 159.0 132.030304 41.0 136.338745 24.0 136.935394 17.0 137.102173 18.0 138.149887 22.0 140.989716 21.0 141.101898 19.0 144.987503 18.0 146.195374 28.0 146.699997 20.0 154.943024 18.0 155.033936 19.0 156.03038 342.0 157.034927 68.0 157.914154 23.0 158.033401 17.0 158.194321 23.0 162.449692 23.0 164.066574 18.0 173.064407 18.0 173.107544 20.0 174.039749 1834.922729 175.040359 154.0 176.044937 24.0 176.99437 21.0 186.887665 22.0 187.385361 17.0 187.977325 18.0 215.052307 22.0 216.342331 27.0 227.705643 18.0 230.103195 18.0 234.389603 24.0 235.413559 18.0 235.938736 18.0 242.035446 33.0 243.018188 18.0 243.130432 20.0 246.679688 33.0 252.347992 23.0 259.091553 26.0 267.076141 56.0 272.649445 21.0 274.908844 21.0 288.253693 19.0 289.456848 23.0 298.061005 41.0 302.925446 18.0 303.079071 18.0 303.515533 18.0 307.775696 18.0 308.92514 20.0 309.161835 24.0 312.685699 52.0 313.027588 18.0 326.362274 21.0 329.137756 18.0 330.097076 20.0 333.089172 20.0 335.83902 18.0 339.346527 18.0 341.179993 33.0 350.713013 21.0 358.15152 46.0 377.17218 18.0 377.681458 35.0 383.493683 29.0 390.198608 22.0 415.120575 21.0 425.722626 18.0 433.134552 18.0 451.545654 29.0 479.830078 18.0 489.185211 17.0 510.144958 20.0 514.944397 23.0 521.085876 18.0 541.738647 21.0 541.986267 18.0 557.125 42.0 585.99646 18.0 614.264587 18.0 664.22406 20.0 668.136841 21.0 682.196045 20.0 732.156555 22.0 763.929321 18.0 766.75946 21.0 779.334961 18.0 803.354858 18.0 847.313477 21.0 848.226257 17.0 864.819092 18.0 871.218506 18.0 903.161499 32.0 923.042297 23.0 941.376343 20.0 974.165222 18.0 1032.529785 22.0 1052.345703 17.0 1058.688477 22.0 1065.168091 18.0 1065.280884 19.0 1081.316284 20.0 1083.319458 18.0 1097.372192 18.0 1102.466187 20.0 1116.142578 27.0 1130.135986 29.0 1141.331787 19.0 1175.300049 21.0 1188.101929 18.0 1188.203979 29.0 END IONS BEGIN IONS SCANS=179 PEPMASS=164.07128 CHARGE=-1 COLLISION_ENERGY=0.0 51.547482 25.0 53.42989 18.0 55.234432 17.0 59.322552 18.0 60.6936 18.0 72.008224 1230.0 72.526611 18.0 73.799019 18.0 77.039551 96.0 78.523682 18.0 79.956787 218.0 85.829239 39.0 90.950584 18.0 91.055061 416.0 92.06366 29.0 93.02713 20.0 95.947464 21.0 101.007759 22.0 103.054237 2964.346191 103.758026 22.0 103.870781 27.0 104.057144 373.0 105.057938 17.0 108.686462 21.0 109.028114 23.0 113.938042 21.0 116.053902 18.0 116.923119 18.0 117.906296 23.0 117.925377 21.0 117.984062 18.0 118.061684 90.0 118.837456 27.0 118.919563 26.0 118.994026 60.0 119.011887 20.0 124.098175 20.0 132.041428 17.0 132.916611 17.0 137.707626 20.0 146.063171 64.0 147.044388 5855.494629 147.255035 18.0 147.405411 18.0 147.918701 20.0 148.04863 514.0 148.087936 32.0 149.014832 28.0 149.05571 66.0 150.437866 25.0 155.548508 25.0 159.880692 36.0 161.666183 21.0 162.011505 17.0 162.886154 22.0 163.016602 25.0 164.071121 4006.538086 164.37558 18.0 164.610062 20.0 165.076355 441.0 165.241058 18.0 166.053268 313.0 166.09668 17.0 167.057831 59.0 167.955276 18.0 182.249222 28.0 195.887589 18.0 196.887314 27.0 234.713455 18.0 242.108932 20.0 292.260071 21.0 293.324677 18.0 301.873199 29.0 310.29837 17.0 318.11731 17.0 346.402252 18.0 350.313385 27.0 390.434662 20.0 410.929016 18.0 435.065277 28.0 435.594208 20.0 437.062164 17.0 448.480133 20.0 560.052429 20.0 655.953125 18.0 663.131104 18.0 720.090149 17.0 787.515076 22.0 822.108459 18.0 904.377869 25.0 911.157959 18.0 933.993835 18.0 964.443909 18.0 995.920837 24.0 1020.307495 18.0 1062.434692 18.0 1102.026367 20.0 1122.001343 24.0 1122.190063 27.0 1197.275513 21.0 END IONS BEGIN IONS SCANS=180 PEPMASS=267.07237 CHARGE=0 COLLISION_ENERGY=0.0 50.078259 20.0 54.778664 18.0 56.718468 18.0 57.923153 18.0 58.223667 20.0 58.54493 23.0 61.025917 48.0 61.986359 18.0 62.217236 20.0 65.996368 20.0 66.159393 20.0 69.677467 22.0 69.921379 17.0 72.773605 19.0 74.505569 18.0 76.629028 20.0 77.056999 19.0 79.029289 61.0 83.694458 20.0 84.947929 32.0 86.942734 18.0 88.011368 20.0 89.02491 260.0 89.713463 20.0 89.841194 35.0 90.027252 23.0 90.271408 30.0 91.029907 18.0 92.024506 171.0 95.960121 18.0 96.956696 47.0 96.96846 59.0 97.493835 18.0 97.96447 21.0 98.955505 35.0 105.039124 24.0 106.0214 33.0 106.040314 76.0 106.315018 18.0 107.02272 19.0 108.019661 161.0 111.015381 38.0 116.028 67.0 116.377983 18.0 119.022339 52.0 119.043953 18.0 120.029114 30.0 121.028183 18.0 122.03389 20.0 122.371887 22.0 123.025429 23.0 124.038292 27.0 124.952301 44.0 128.037796 32.0 134.020706 37.0 134.036087 79.0 134.732437 24.0 134.917984 20.0 135.030899 4879.001465 135.077606 18.0 136.035522 600.0 136.058426 32.0 137.032272 18.0 141.020691 20.0 142.364059 17.0 147.024399 18.0 149.04483 309.0 150.023636 20.0 150.044983 56.0 150.268524 18.0 150.970917 27.0 151.581757 24.0 153.015121 20.0 153.040131 18.0 154.400513 20.0 159.025208 37.0 159.69548 22.0 161.051773 18.0 163.078659 17.0 167.776337 26.0 172.048431 18.0 176.060349 22.0 176.999222 30.0 177.040695 393.0 178.045837 37.0 178.097733 18.0 178.964218 22.0 179.035324 915.0 180.036591 106.0 180.976303 18.0 181.095718 20.0 183.942169 24.0 184.702759 20.0 189.067291 18.0 194.987473 19.0 195.623352 17.0 196.980042 182.0 198.975555 17.0 201.037598 36.0 201.937851 18.0 205.071243 18.0 206.09465 28.0 209.091675 23.0 211.684265 18.0 222.994766 17.0 223.960327 24.0 224.978073 22.0 226.965271 17.0 229.577499 33.0 235.048355 129.0 237.039841 19.0 237.208771 22.0 249.069992 73.521858 250.065811 17.0 251.033829 18.0 266.149414 85.0 267.072784 3976.230469 267.147247 36.0 267.400513 20.0 268.073334 503.0 268.168793 23.0 269.082153 117.0 269.13504 22.0 271.021576 20.0 276.816559 19.0 286.023621 19.0 292.505981 23.0 298.714233 18.0 325.072296 37.0 330.481842 27.0 332.011963 18.0 332.539673 21.0 334.311737 18.0 339.889099 22.0 340.893738 17.0 344.122864 20.0 357.66449 19.0 375.063782 20.0 454.628693 20.0 469.346588 18.0 558.138306 19.0 559.204285 21.0 622.80957 18.0 644.177429 55.0 654.957825 20.0 690.089172 19.0 741.773621 44.0 755.077148 30.0 763.188477 18.0 841.282349 20.0 946.250793 18.0 985.042053 20.0 1026.286987 17.0 1057.504639 19.0 1112.210815 18.0 1126.197998 21.0 1137.305542 19.0 1198.453491 19.0 END IONS BEGIN IONS SCANS=181 PEPMASS=243.06154 CHARGE=0 COLLISION_ENERGY=0.0 50.181362 20.0 60.888973 20.0 61.98856 617.0 62.818745 18.0 63.10363 18.0 64.600571 20.0 69.037704 36.0 70.672935 24.0 71.031593 20.0 71.842186 20.0 73.361649 22.0 77.544617 20.0 79.708267 25.0 79.958076 24.0 80.411667 18.0 82.030945 98.0 83.011658 17.0 83.678581 18.0 86.768539 18.0 87.005981 20.0 88.705978 22.0 89.554207 20.0 93.003647 20.0 94.820709 24.0 95.249763 21.0 96.045181 144.0 97.033562 19.0 98.168869 18.0 99.923439 74.0 101.026978 50.0 103.917915 239.0 104.920876 17.0 105.034401 18.0 105.63945 31.0 107.403938 29.0 108.00209 35.0 108.735664 18.0 109.039368 57.0 110.02417 358.859528 110.956879 18.0 111.02034 259.842773 111.790794 20.0 112.03862 20.0 112.274338 18.0 112.955307 22.0 113.026184 45.0 114.029121 18.0 117.926155 24.0 118.282249 21.0 118.921181 22.0 119.613594 17.0 122.019997 37.0 123.036789 22.0 124.026047 59.0 125.016655 19.0 125.035538 42.0 125.197395 18.0 126.034813 21.0 126.931526 18.0 138.596756 19.0 138.686157 20.0 139.01413 45.0 139.052078 33.0 139.946091 18.0 139.991806 25.0 140.034424 396.0 140.291611 20.0 140.705246 18.0 141.032852 45.0 144.164108 40.0 146.962814 48.0 149.915085 176.0 151.740692 18.0 152.029373 132.220612 152.72226 18.0 153.029938 4324.0 154.034378 266.085541 154.64035 17.0 154.951248 21.0 155.032166 55.0 155.605057 17.0 155.947754 40.0 156.295425 28.0 158.991776 25.0 170.043106 22.0 177.021408 18.0 181.15448 17.0 183.041168 391.0 183.107849 29.0 195.906204 191.0 197.060181 22.0 197.90799 18.0 197.964981 21.0 198.9617 24.0 199.945908 17.0 204.607361 19.0 208.118393 18.0 213.049637 42.0 218.994278 18.0 222.126236 18.0 223.871796 20.0 224.862976 18.0 225.050446 30.0 225.077072 22.0 227.056305 17.0 230.893143 18.0 237.156982 27.0 241.90332 20.0 242.075958 23.0 242.171661 22.0 243.012177 18.0 243.061966 421.697205 243.887039 35.0 244.026718 20.0 245.06311 21.0 246.593307 19.0 272.895172 21.0 297.151581 18.0 297.997101 20.0 303.973297 27.0 304.944366 27.0 306.057983 39.0 309.997314 20.0 311.160156 17.0 318.091431 23.0 322.103638 17.0 342.089081 18.0 387.226562 20.0 412.741791 30.0 431.547485 18.0 435.136292 19.0 438.000183 18.0 447.068207 17.0 450.244904 32.0 457.08017 31.0 460.166901 38.0 465.121857 23.0 467.541473 20.0 471.679565 17.0 484.142944 20.0 487.374939 17.0 538.333435 19.0 545.873779 18.0 550.124634 20.0 617.190979 25.0 670.799438 21.0 681.872192 18.0 754.071045 18.0 812.799316 18.0 826.047913 22.0 843.431274 18.0 858.062073 18.0 904.462036 18.0 910.027405 18.0 930.103516 18.0 934.335815 18.0 958.398132 31.0 968.250671 18.0 1000.446167 23.0 1030.628418 25.0 1037.877808 18.0 1059.032349 18.0 1064.054688 20.0 1110.897583 17.0 1118.193848 22.0 1141.058838 18.0 1192.650024 18.0 END IONS BEGIN IONS SCANS=182 PEPMASS=130.08676 CHARGE=0 COLLISION_ENERGY=0.0 50.646801 18.0 51.265522 18.0 57.032055 26.0 57.93021 17.0 60.247608 23.0 61.980774 19.0 64.103966 18.0 64.542503 17.0 66.038704 44.0 66.752785 22.0 71.012444 145.0 72.081467 17.0 72.992683 20.0 74.92675 21.0 80.586632 43.0 82.062035 31.0 84.081566 61.0 87.009758 27.0 87.041351 23.0 88.043312 26.0 91.042992 19.0 99.056213 18.0 99.926132 21.0 101.932594 18.0 106.776169 19.0 112.987503 24.0 113.266159 25.0 113.52652 25.0 115.001526 174.0 115.91851 137.0 117.160179 22.0 120.27314 45.0 123.117538 20.0 124.060837 20.0 128.628189 21.0 130.086563 3491.332764 130.929138 20.0 131.092682 301.0 132.090073 31.0 132.921509 23.0 133.00975 81.0 133.04512 18.0 146.972168 37.0 160.336319 18.0 168.052139 18.0 176.978622 20.0 177.764038 21.0 186.567978 17.0 223.153854 20.0 231.934204 20.0 256.97467 18.0 260.39856 20.0 272.290894 30.0 275.76825 20.0 277.12204 38.0 294.411346 20.0 304.456635 18.0 305.092621 34.0 306.058929 34.0 310.005859 30.0 325.559021 22.0 353.962067 21.0 354.849335 19.0 376.441223 18.0 395.277161 17.0 405.639496 24.0 410.11731 18.0 431.163391 19.0 431.314758 18.0 438.129913 23.0 454.11792 22.0 459.911072 23.0 463.867981 17.0 472.062958 17.0 481.101105 22.0 493.03595 19.0 512.085144 17.0 516.979309 21.0 543.18988 19.0 549.918335 20.0 571.122253 18.0 598.237549 24.0 616.360779 25.0 623.316162 18.0 626.297913 18.0 692.268372 17.0 702.317993 17.0 745.063416 17.0 752.210693 17.0 791.325867 24.0 792.202209 18.0 798.963074 36.0 806.956421 18.0 809.101013 18.0 821.922302 20.0 845.403198 20.0 855.669617 23.0 881.002869 20.0 919.141602 26.0 946.364075 18.0 970.343262 23.0 970.400635 22.000002 972.178406 26.0 984.136963 24.0 1003.306396 21.0 1006.513672 28.0 1006.791504 18.0 1044.200684 17.0 1050.059692 47.0 1058.854004 22.0 1084.849731 20.0 1118.889893 19.0 1122.973022 19.0 1161.375 17.0 1177.01416 20.0 1185.047607 32.0 END IONS BEGIN IONS SCANS=183 PEPMASS=438.12498 CHARGE=0 COLLISION_ENERGY=0.0 53.113708 18.0 54.615238 23.0 55.771481 21.0 56.93766 17.0 59.442379 18.0 61.987274 976.0 62.046841 17.0 65.043312 19.0 65.34491 35.0 65.891159 18.0 69.655006 18.0 71.027168 25.0 74.022667 23.0 75.223335 18.0 89.844055 20.0 90.77079 20.0 95.505859 18.0 98.76638 20.0 103.926727 28.0 114.052483 18.0 116.922501 37.0 128.266098 21.0 128.702927 22.0 128.95755 18.0 130.595383 20.0 130.93898 17.0 131.03569 19.0 132.865585 20.0 137.030258 42.0 139.252441 29.0 141.61557 20.0 142.217026 22.0 143.033585 19.0 146.118164 18.0 146.967392 20.0 147.029221 18.0 153.499649 39.0 156.891586 22.0 163.041107 20.0 165.072418 17.0 168.030365 37.0 173.963654 36.0 175.463272 21.0 177.037048 18.0 177.056595 26.0 178.979279 18.0 179.05722 24.0 181.184418 18.0 187.369888 20.0 191.074203 20.0 192.972794 24.0 195.056091 20.0 197.042038 25.0 203.965912 18.0 205.047363 18.0 211.138138 22.0 218.084976 25.0 219.086304 32.0 220.934509 23.0 227.141724 17.0 229.035568 23.999998 231.020874 23.0 231.079391 22.0 241.706451 18.0 252.078674 23.0 253.037643 21.0 255.025024 19.0 257.178772 18.0 259.335175 32.0 261.979889 17.0 262.951691 20.0 263.095367 18.0 265.144958 25.0 266.252289 21.0 267.072784 20.0 268.115326 18.0 271.023102 18.0 274.117371 30.0 275.956604 17.0 276.014618 20.0 277.015259 23.0 283.05365 19.0 287.162933 24.0 287.687469 17.0 287.753204 17.0 288.042694 22.0 295.097015 17.0 303.024536 19.0 305.93515 22.0 306.064514 17.0 307.896667 32.0 308.208832 18.0 312.990723 18.0 313.716827 19.0 319.059753 28.0 321.15329 18.0 326.190338 21.0 331.0737 21.0 331.136414 18.0 333.030945 30.0 333.133636 17.0 334.180542 19.0 347.874512 18.0 350.075745 22.0 353.984344 18.0 355.879822 20.0 356.455475 19.0 357.105682 28.0 368.945465 40.0 373.904602 26.0 389.012909 20.0 391.098969 18.0 409.198517 19.0 418.99646 18.0 422.008331 21.0 429.425995 24.0 438.035797 18.0 438.118958 45.0 439.124725 53.0 440.119293 21.0 441.056091 20.0 441.24823 24.0 449.220062 20.0 456.083405 17.0 465.133392 19.0 472.074432 20.0 472.117706 18.0 476.143951 18.0 478.079773 18.0 488.895538 18.0 495.256042 22.0 509.300262 23.0 514.034058 18.0 534.914612 20.0 560.882446 18.0 571.154968 18.0 653.209839 17.0 659.994751 18.0 684.123352 28.0 695.229675 20.000002 703.811462 37.0 727.234314 18.0 743.141418 20.0 784.49469 18.0 795.139648 22.0 798.887146 20.0 807.134033 19.0 828.499023 18.0 830.122986 18.0 833.510803 18.0 922.260681 18.0 955.424133 19.0 965.724976 33.0 971.324402 21.0 992.961365 18.0 1003.346497 20.0 1017.668457 18.0 1067.031128 26.999998 1068.797363 22.0 1113.349731 17.0 1134.464355 17.0 1139.059937 17.0 1175.063232 22.0 1180.115845 18.0 1188.387939 18.0 END IONS BEGIN IONS SCANS=184 PEPMASS=255.05385 CHARGE=0 COLLISION_ENERGY=0.0 50.473721 18.0 52.60664 20.0 53.920464 19.0 57.035313 19.0 61.91053 23.0 61.986645 93.0 62.057304 25.0 62.967518 21.0 67.254929 20.0 68.790611 18.0 71.047966 39.0 74.031609 29.0 74.313591 18.0 76.167824 18.0 78.959496 17.0 81.034691 23.0 82.51899 18.0 84.306282 19.0 85.029663 40.0 87.007652 24.0 88.546158 18.0 89.023109 20.0 92.456154 27.0 96.839096 19.0 96.919441 18.0 96.959404 3079.0 97.668869 21.0 97.96022 39.0 98.234665 35.0 98.814552 36.0 98.957855 152.0 99.045593 39.0 99.054802 20.0 109.030281 19.0 110.958122 17.0 115.037224 50.0 116.923889 20.0 118.884369 18.0 122.372643 21.0 125.02449 20.0 125.936493 18.0 127.60125 18.0 128.955933 19.0 131.105576 18.0 135.903381 19.0 139.493271 22.0 144.074707 21.0 146.966217 19.0 153.053314 18.0 157.086288 69.0 159.392792 18.0 159.994583 19.0 164.902191 26.0 166.084335 20.0 167.031143 17.0 167.866257 18.0 168.435287 24.0 169.93277 17.0 170.504761 18.0 170.980362 20.0 171.007599 37.0 171.918243 21.0 175.096786 529.0 176.099136 45.0 177.105209 20.0 177.167648 20.0 185.940872 18.0 194.522232 23.0 195.131592 24.0 195.851288 23.0 197.449371 17.0 201.124649 18.0 202.377045 31.0 205.909164 18.0 217.03096 20.0 221.060638 75.0 228.71257 18.0 238.853333 19.0 240.085358 24.0 240.94783 26.0 254.393951 26.0 255.053787 1054.0 255.227356 41.0 256.057983 297.330536 257.045929 96.0 258.055481 36.0 258.300568 18.0 259.012634 28.0 265.138153 59.0 274.460236 34.0 298.133789 30.0 303.659698 23.0 310.090942 19.0 322.450012 17.0 334.115906 25.0 343.234131 18.0 348.215698 18.0 348.562653 24.0 350.166351 23.0 357.44339 21.0 361.060272 17.0 361.280975 25.0 361.727539 18.0 389.273804 20.0 411.904694 36.0 421.671509 18.0 462.618866 20.0 467.873505 18.0 472.152313 20.0 483.010834 18.0 543.082703 19.0 558.132324 17.0 576.156555 24.0 578.135498 17.0 583.135376 20.0 588.66156 27.0 605.046387 17.0 654.259033 17.0 658.714233 26.0 686.598694 18.0 714.256042 18.0 718.42395 17.0 720.177979 18.0 726.106812 29.0 769.538574 19.0 793.196655 17.0 811.885071 20.0 822.276855 20.0 830.275635 21.0 848.449219 23.0 854.065002 18.0 856.138794 17.0 937.284119 18.0 955.551147 23.0 967.74408 22.0 992.285278 20.0 992.819275 19.0 1046.349243 23.0 1051.23291 20.0 1103.136963 18.0 1104.35083 18.0 1126.067261 18.0 1159.241577 18.0 1182.36853 18.0 1184.439697 18.0 END IONS BEGIN IONS SCANS=185 PEPMASS=610.12542 CHARGE=-1 COLLISION_ENERGY=0.0 55.621227 18.0 60.648735 17.0 61.987614 644.0 62.145325 18.0 64.608818 18.0 66.105728 18.0 71.015465 17.0 75.011276 22.0 75.225479 18.0 81.339348 18.0 85.269913 18.0 87.011749 22.0 89.023697 72.0 90.357635 20.0 92.449333 20.0 99.17617 18.0 101.023415 75.0 103.266838 18.0 103.881485 19.0 105.947227 18.0 106.106506 21.0 106.434891 22.0 108.680214 20.0 110.897179 22.0 111.007301 23.0 113.018867 24.0 113.064072 19.0 114.030968 18.0 115.001862 101.0 116.922958 18.0 117.06488 20.0 119.032928 20.0 121.076889 18.0 121.893913 24.0 126.997353 51.0 129.252762 18.0 133.063324 45.0 135.032074 65.0 136.981155 17.0 139.001801 22.0 143.05455 27.0 144.11203 20.0 145.38414 21.0 146.963638 19.0 147.033737 20.0 147.062332 18.0 150.142136 19.0 150.230286 20.0 150.289978 22.0 153.441635 20.0 157.017761 20.0 159.082626 18.0 160.049805 18.0 161.040009 22.0 161.065491 41.0 172.541534 23.0 173.065063 51.0 175.024078 1295.022949 175.126678 17.0 175.522827 17.0 176.032852 149.0 177.03125 66.0 177.057159 115.0 179.054672 157.0 183.250183 23.0 185.096848 18.0 187.03479 17.0 187.053879 37.0 187.069885 30.0 187.721542 20.0 188.940903 26.0 190.780777 24.0 193.054642 18.0 201.05658 19.0 203.403259 18.0 205.05101 179.0 206.053558 68.0 209.089523 18.0 211.383163 18.0 215.040161 17.0 217.050415 57.0 218.04744 22.0 219.07341 23.0 221.042709 20.0 224.903809 22.0 227.284973 17.0 233.036407 20.0 233.080307 42.0 236.879211 28.000002 237.063263 17.0 245.045044 21.0 249.039215 769.0 250.043839 155.0 256.061707 25.0 259.044769 18.0 263.050446 41.0 264.072693 20.0 273.036804 20.0 279.084229 18.0 279.301575 22.0 291.051208 18.0 294.747589 19.0 295.0755 18.0 295.831818 20.0 300.020782 39.0 301.033752 61.0 303.075653 18.0 305.066986 65.0 307.04541 375.0 308.041565 20.0 309.052704 17.0 312.162933 18.0 321.945984 17.0 323.069977 207.0 324.079407 36.0 326.81546 17.0 332.418365 20.0 336.019989 18.0 343.047028 18.0 349.060211 39.0 351.067261 20.0 363.128571 18.0 367.066895 188.0 368.064758 19.0 387.14386 17.0 403.928711 20.0 427.407959 24.0 429.103058 76.0 431.975861 19.0 435.263947 18.0 446.324402 26.0 459.925446 17.0 462.013397 27.0 463.971954 18.0 465.822235 22.0 480.131622 18.0 483.194672 23.0 487.104187 19.0 493.067993 20.0 502.109161 18.0 507.169006 18.0 532.206604 20.0 547.659729 20.0 560.293213 18.0 566.218445 18.0 567.164673 22.0 586.182739 17.0 609.138306 62.0 610.125183 963.0 611.137085 235.690338 612.143616 59.0 612.24054 17.0 612.35553 19.0 613.116394 36.0 620.207336 20.0 623.653015 28.0 628.075806 18.0 641.292114 22.0 642.250488 17.0 642.756958 18.0 667.898865 18.0 688.789124 17.0 693.177063 19.0 702.266479 18.0 756.246155 18.0 773.681824 18.0 956.269104 18.0 1003.645325 25.0 1069.301514 21.0 1090.17395 18.0 1099.07312 20.0 1133.388794 18.0 1155.256226 18.0 END IONS BEGIN IONS SCANS=186 PEPMASS=130.08674 CHARGE=0 COLLISION_ENERGY=0.0 54.478142 24.0 54.527828 17.0 56.334469 18.0 57.920059 22.0 61.781471 19.0 61.984535 18.0 63.666504 18.0 65.080879 26.0 67.049324 24.0 68.778496 17.0 71.011345 135.0 72.992813 17.0 80.296875 18.0 82.069519 68.0 82.410629 22.0 87.046532 17.0 88.223679 27.0 88.499588 20.0 89.025307 27.0 93.200371 22.0 98.940804 18.0 99.927963 18.0 100.934158 18.0 100.990059 26.0 108.268478 17.0 112.194031 27.0 112.47422 19.0 115.003899 498.0 115.923401 18.0 118.158813 17.0 121.965775 17.0 127.463905 18.0 130.087097 2996.0 131.069168 49.0 131.089767 286.0 133.014572 211.607544 134.533722 18.0 138.813171 20.0 142.670074 22.0 144.65065 20.0 156.090454 27.0 157.803238 29.0 158.242401 17.0 159.694031 32.0 160.54628 18.0 162.904465 24.0 169.831024 18.0 196.250839 19.0 197.549377 21.0 199.931824 17.0 201.159714 18.0 205.09111 36.0 217.027664 17.0 218.537308 22.0 223.143402 29.0 227.176651 22.0 230.260193 21.0 237.660278 17.0 240.580002 18.0 245.077087 22.0 263.987183 20.0 265.415985 17.0 267.562195 18.0 277.878632 19.0 280.814789 18.0 298.321014 30.0 298.630554 18.0 317.163605 18.0 318.605377 18.0 322.647949 19.0 331.717499 18.0 343.006592 18.0 344.272217 23.0 351.421173 17.0 375.916595 23.0 393.770264 20.0 394.568939 18.0 421.750214 22.0 452.094879 18.0 454.655823 20.0 454.817993 20.0 458.280365 19.0 467.982971 18.0 470.190491 26.0 470.553162 18.0 483.048462 20.0 486.608704 18.0 490.352325 25.0 512.551331 18.0 528.201172 21.0 545.731628 18.0 551.032471 18.0 554.293518 18.0 580.198364 17.0 584.472046 23.0 642.20752 17.0 646.236511 20.0 686.318054 19.0 708.945557 18.0 746.029114 20.0 826.855835 17.0 885.188416 19.0 1017.72406 18.0 1077.106445 17.0 1097.411621 17.0 1151.21228 18.0 END IONS BEGIN IONS SCANS=187 PEPMASS=438.12521 CHARGE=-1 COLLISION_ENERGY=0.0 50.371407 18.0 50.720596 35.0 51.034588 21.0 51.707008 22.0 53.776115 19.0 56.02927 36.0 59.566292 20.0 60.142689 32.0 61.753246 17.0 61.987633 2454.0 62.054417 18.0 62.189705 18.0 62.540947 38.0 62.984692 36.0 63.295219 31.0 63.619312 18.0 69.344543 18.0 74.466881 33.0 75.027939 27.0 76.757896 17.0 78.25631 18.0 78.408211 18.0 78.682693 21.0 81.031723 18.0 81.753685 18.0 85.162582 18.0 85.690529 18.0 86.527496 21.0 87.274368 18.0 90.056252 18.0 97.00563 37.0 100.510078 18.0 104.467514 19.0 106.658676 17.0 111.07193 20.0 111.350357 24.0 112.682594 23.0 113.02005 18.0 114.007996 28.0 114.035507 45.0 115.629356 30.0 116.929665 22.0 118.827408 18.0 118.941452 19.0 119.037079 38.0 121.231911 17.0 125.027809 20.0 127.047577 18.0 131.118851 22.0 138.059082 28.0 138.44397 29.0 140.899612 21.0 140.927811 17.0 142.281326 19.0 146.969086 38.0 149.862564 29.0 150.961182 18.0 155.55983 21.0 156.082092 22.0 157.036407 43.0 158.558945 18.0 162.049301 18.0 163.034317 29.999998 163.942535 18.0 166.050308 38.0 167.955032 20.0 168.023102 22.0 170.850403 18.0 170.968262 21.0 176.681885 20.0 180.066696 21.0 183.050507 22.0 186.250916 22.0 187.073608 26.0 187.0914 18.0 188.0681 20.0 190.041336 27.0 192.983856 30.0 198.75853 21.0 199.087082 18.0 206.078171 24.0 206.571945 27.0 210.955673 17.0 211.030243 23.0 216.350174 18.0 217.43248 32.0 217.878891 17.0 218.150162 26.0 219.073349 20.0 220.020493 19.0 224.396301 19.0 225.513123 18.0 228.182816 17.0 231.125183 20.0 234.082123 25.0 234.10614 33.0 239.886688 18.0 240.067566 22.0 240.785522 17.0 243.054901 26.0 246.356689 20.0 247.029892 18.0 253.30899 18.0 259.064301 19.0 268.329468 18.0 268.734253 19.0 271.793182 25.0 272.025299 27.0 274.074646 52.0 274.216705 17.0 282.106232 64.0 283.111267 22.0 284.061462 44.0 289.047058 28.0 298.596802 18.0 299.942596 22.0 302.918976 20.0 308.159698 29.0 309.139435 20.0 309.929443 18.0 310.83139 17.0 315.597717 17.0 324.088837 25.0 325.186981 27.0 325.223602 20.0 328.875641 19.0 332.120514 18.0 333.088135 21.0 339.190308 25.0 340.112823 18.0 340.583405 17.0 353.995911 20.0 362.235535 18.0 366.822083 20.0 384.441895 20.999998 390.164307 19.0 391.1091 45.0 396.325562 18.0 411.117493 20.0 423.949188 19.0 430.421112 21.0 438.126556 808.0 438.449738 18.0 439.13327 139.0 440.375977 18.0 441.207458 17.0 445.999512 18.0 457.293182 23.0 459.069519 32.0 507.769623 18.0 541.239197 24.0 542.186646 20.0 547.133179 18.0 560.14032 17.0 563.160706 17.0 592.116333 25.0 593.166199 56.000004 594.175598 47.0 615.158142 18.0 621.989441 18.0 625.233459 25.0 635.20697 18.0 639.484558 18.0 639.611389 21.0 656.147644 19.0 676.981628 18.0 681.214722 21.0 687.401611 34.0 688.983154 22.0 713.300842 23.0 739.665161 22.0 741.17334 18.0 741.226013 18.0 758.310974 18.0 767.503418 22.0 786.80896 19.0 812.249451 19.0 818.457031 18.0 832.121826 18.0 835.335144 24.0 837.031799 18.0 839.795898 18.0 869.241516 19.0 912.174438 20.0 966.268677 18.0 983.211792 20.0 1013.281311 20.0 1015.290833 23.0 1039.703003 24.0 1040.207153 18.0 1052.072754 18.0 1060.714722 17.0 1074.150513 26.0 1087.726929 26.0 1112.394653 20.0 1115.588135 20.0 1140.244385 19.0 1185.695557 18.0 END IONS BEGIN IONS SCANS=188 PEPMASS=157.03625 CHARGE=0 COLLISION_ENERGY=0.0 53.321819 22.0 53.410427 38.0 54.05056 21.0 54.209564 22.0 56.81535 21.0 57.335583 20.0 59.024414 206.0 71.023918 772.65741 71.426888 20.0 72.009041 46.0 72.02449 21.0 72.671394 21.0 76.504921 21.0 82.312599 22.0 87.300179 28.0 93.013077 23.0 93.335793 50.0 96.831367 23.0 97.003693 8353.24707 97.795876 20.0 97.86467 20.0 97.89624 22.0 98.007919 380.0 98.131752 18.0 99.010185 51.0 100.246567 25.0 103.241959 18.0 112.434242 20.0 113.91832 18.0 113.93689 18.0 114.030228 7064.674805 114.210663 18.0 114.941681 22.0 114.966309 29.0 115.032112 447.0 115.102272 19.0 115.604607 23.0 115.747131 18.0 116.03463 56.0 116.091011 21.0 118.479645 25.0 122.674622 17.0 124.799294 18.0 129.853638 22.0 129.988251 20.0 133.27388 33.0 137.378433 19.0 139.043427 20.0 140.010788 434.0 141.008682 39.0 141.872177 20.0 142.159378 17.0 143.037872 30.0 144.999298 18.0 148.408234 18.0 151.952866 25.0 154.723267 22.0 156.89473 107.0 156.989471 22.0 157.035538 1689.0 157.486435 20.0 158.041534 107.0 159.029236 19.44878 159.043777 27.55122 159.05899 19.0 159.895447 29.0 160.886383 18.0 168.051788 20.0 173.166031 38.0 177.739914 24.0 178.567963 22.0 180.041962 20.0 182.229126 20.0 184.045715 22.0 199.757523 34.0 205.354416 19.0 217.384079 20.0 220.032974 36.0 240.472183 18.0 241.441437 32.0 258.598083 18.0 283.078949 41.0 291.693573 20.0 295.631165 19.0 307.396881 17.0 314.521637 18.0 315.085663 18.0 320.426544 60.0 325.068298 55.0 329.897247 17.0 460.108002 17.0 478.591583 22.0 485.558411 31.0 492.659637 28.0 555.922607 20.0 606.713928 28.0 691.235779 23.0 831.004089 18.0 847.735657 18.0 876.207458 18.0 945.017822 23.0 1039.358521 34.0 1065.233032 20.0 1079.442017 20.0 1140.206421 18.0 1144.176147 24.0 1166.650635 26.0 END IONS BEGIN IONS SCANS=189 PEPMASS=543.15742 CHARGE=-1 COLLISION_ENERGY=0.0 50.425041 17.0 53.254982 18.0 74.283508 29.0 78.961662 26.0 84.009308 20.0 96.020218 133.0 97.008476 19.0 101.019554 21.0 102.541908 18.0 111.918015 25.0 120.269821 18.0 123.010063 24.0 123.030823 18.0 124.014763 942.0 125.016121 26.0 127.079628 18.0 143.071503 17.0 149.842789 18.0 164.606705 19.0 164.620926 22.0 166.013458 73.0 166.053894 746.0 166.918396 30.0 167.02066 24544.0 167.059479 89.144432 167.114136 17.0 167.355331 26.0 167.541946 21.0 167.764771 25.0 167.836456 18.0 168.022766 1912.0 168.055084 22.0 168.121124 35.0 168.351761 18.0 168.520355 18.0 168.644363 20.0 169.024338 309.0 170.99472 23.0 171.72493 18.0 172.025925 18.0 172.07814 18.0 176.043915 20.0 185.046677 17.0 199.981003 23.0 207.379059 26.0 216.885178 23.0 219.993393 18.0 224.301392 21.0 225.164093 20.0 238.568878 18.0 238.947998 24.0 242.013107 34.0 244.911102 26.0 253.090591 20.0 259.033417 22.0 262.835083 31.0 263.141052 20.0 266.121674 20.0 269.158051 18.0 273.934448 20.0 283.04892 17.0 291.665955 19.0 297.172302 20.0 299.020447 20.0 300.742096 20.0 311.174652 75.0 325.186401 18.0 335.0495 79.0 339.112061 40.0 342.338715 23.0 362.94754 18.0 363.359528 26.0 371.059875 22.0 377.190399 21.0 378.115936 20.0 451.987305 22.0 462.307404 17.0 475.056091 19.0 483.0867 18.0 487.021454 18.0 495.048676 18.0 501.02124 21.0 542.210144 20.0 543.149658 21.0 606.351257 18.0 625.473145 23.0 921.29425 21.0 1019.999084 24.0 END IONS BEGIN IONS SCANS=190 PEPMASS=151.06078 CHARGE=0 COLLISION_ENERGY=0.0 55.01685 38.0 59.013248 1256.10498 59.485271 18.0 59.847595 18.0 60.017353 46.0 60.814877 18.0 61.016891 18.0 69.034218 80.0 69.431419 22.0 71.013199 1969.305786 71.257347 18.0 71.50573 17.0 72.018646 76.0 73.029266 452.0 73.261665 39.0 74.034103 49.0 79.018097 38.0 79.961403 36.0 80.236961 18.0 81.048279 19.0 83.011192 53.0 85.028603 215.0 89.023895 1694.846802 90.026688 101.0 91.039658 23.0 91.864128 20.0 97.030655 131.0 101.024391 994.727417 101.337593 25.0 102.022125 18.0 102.489235 21.0 103.034996 40.0 105.021896 21.0 111.180145 20.0 113.023415 78.0 119.033066 252.0 125.0774 19.0 127.628922 31.0 131.034744 80.0 133.046448 34.0 144.236145 24.0 150.965805 18.0 151.059784 2486.0 151.348999 62.0 152.063568 139.0 153.064438 22.0 154.022049 20.0 164.123917 20.0 170.896057 37.0 184.022491 25.0 186.565674 18.0 191.041306 18.0 218.307175 24.0 219.375244 18.0 219.540237 33.0 246.55162 21.0 249.305222 17.0 262.740814 22.0 265.546722 18.0 278.295319 45.0 324.530731 18.0 335.050995 21.0 351.038513 24.0 364.129272 18.0 388.399292 33.0 429.572449 17.0 439.01947 22.0 457.589325 22.0 717.727417 34.0 998.856445 18.0 1019.555664 20.0 END IONS BEGIN IONS SCANS=191 PEPMASS=335.04898 CHARGE=-1 COLLISION_ENERGY=0.0 52.014328 21.0 52.088047 18.0 52.719452 18.0 53.104988 26.0 53.165699 21.0 54.936043 18.0 57.462307 25.0 59.012066 25.0 59.63805 18.0 60.799694 39.0 61.450695 46.0 61.610001 30.0 63.177376 19.0 65.259888 18.0 67.397888 18.0 67.633522 23.0 67.909767 26.0 68.026764 19.0 68.295456 29.000002 68.708519 17.0 68.971283 17.0 69.008865 314.0 69.510429 28.0 72.619583 18.0 73.079315 18.0 73.411064 19.0 73.460014 24.0 77.11821 21.0 79.865242 18.0 80.962448 20.0 80.974907 23.0 81.154037 20.0 85.052643 20.0 85.62336 19.0 87.008972 18.0 91.672592 23.0 93.508293 20.0 95.783524 22.0 96.019463 1310.469604 96.116302 19.0 97.00647 241.0 97.026344 48.0 97.55275 20.0 97.908958 20.0 98.789955 22.0 98.957306 25.0 99.930626 18.0 103.686867 18.0 106.857681 20.0 107.343155 19.0 107.369003 17.0 108.629478 20.0 109.535927 25.0 111.40255 18.0 113.023422 19.0 114.027039 18.0 114.475136 19.0 115.000816 19.0 115.67495 24.0 116.533279 50.0 116.928574 35.0 117.021103 26.0 118.890076 19.0 119.015625 18.0 120.446655 21.0 121.985596 18.0 122.715012 20.0 123.031387 178.0 123.060738 25.0 123.46244 21.0 123.533127 18.0 123.819878 17.0 123.888374 20.0 124.014908 12023.083984 125.016541 967.713135 125.401566 18.0 125.948044 21.0 126.021561 66.0 126.042877 20.0 127.248741 20.0 129.542679 25.0 132.981842 21.0 134.314484 18.0 135.425613 21.0 139.041183 24.0 141.552612 24.0 143.788559 17.0 145.049286 24.0 147.899384 18.0 149.00592 36.0 151.138718 18.0 154.069244 18.0 154.22937 29.0 154.810501 18.0 154.940811 20.0 155.286041 22.0 157.037018 76.0 158.049164 21.0 158.521729 33.0 159.048523 78.0 161.91272 20.0 163.616928 20.0 164.532425 18.0 164.590958 61.0 164.740356 18.0 166.011887 115.0 166.055099 99.0 166.132797 22.0 166.586899 20.0 166.798355 20.0 166.820618 20.0 166.85054 17.0 166.900757 23.0 166.962891 18.0 166.979385 22.0 167.021027 86244.640625 167.053772 37.0 167.079773 2976.0 167.169327 80.0 167.206421 18.0 167.339722 18.0 167.353531 22.0 167.559326 38.0 167.733734 33.0 167.804596 18.0 167.83432 43.0 167.878616 18.0 167.932419 18.0 167.96228 20.0 168.023315 7319.708984 168.09462 22.993279 168.108856 29.006721 168.155945 42.0 168.215393 22.0 168.228973 18.0 168.287125 54.0 168.34993 19.0 168.492538 30.0 168.509445 40.0 168.686783 21.0 168.900925 22.0 168.939484 20.0 168.963547 35.0 169.025482 814.0 169.15918 17.0 169.186874 17.0 169.468597 20.0 169.710907 18.0 169.86409 27.0 170.024292 48.0 170.052582 48.0 170.328995 18.0 170.463791 18.0 170.73558 20.0 171.314209 22.0 171.374649 26.0 171.624619 20.0 172.079361 22.0 172.528732 18.0 172.923294 18.0 173.008957 17.0 173.384232 17.0 176.03125 20.0 176.05867 133.0 176.757904 18.0 177.060577 128.0 178.565582 18.0 179.36499 22.0 182.357986 18.0 183.009369 18.0 184.575562 18.0 184.955978 21.0 194.95343 18.0 197.965271 37.0 198.149948 18.0 198.562546 18.0 199.886597 30.0 200.736084 20.0 207.881165 20.0 211.037827 22.0 211.590637 27.0 213.014084 34.0 216.923828 22.0 217.98996 50.0 219.074997 56.0 219.971985 19.0 220.605484 26.0 222.174194 86.0 222.565353 19.0 225.04039 17.0 229.538284 26.0 235.00856 17.0 235.996246 44.0 239.122406 26.0 240.769226 21.0 244.931732 18.0 246.558792 22.0 248.591843 18.0 249.078415 80.0 252.017319 22.0 252.94812 18.0 255.139267 20.0 258.060699 22.0 261.079041 33.0 266.949188 25.0 267.392822 21.0 275.041931 20.0 288.418457 21.0 289.988953 20.0 290.559509 33.0 293.0495 19.0 295.505676 18.0 295.885498 18.0 296.236725 18.0 297.223053 20.0 298.073883 20.0 300.952911 20.0 303.023804 17.0 309.037964 18.0 309.947998 18.0 333.294739 17.0 335.050995 935.606567 336.050476 68.0 337.050995 19.0 337.187805 38.0 338.103729 36.0 338.126709 24.0 338.190704 26.0 339.111816 57.0 339.200439 118.0 344.142181 26.000002 345.993652 22.0 349.114563 21.0 356.332947 20.0 357.040527 25.0 366.887421 18.0 384.233429 22.0 389.979126 18.0 391.984344 20.0 406.378326 20.0 409.100555 18.0 425.788025 22.0 427.954193 23.0 438.133698 20.0 445.495605 22.0 473.088867 20.0 481.61853 23.0 485.654907 25.0 488.258179 20.0 503.071228 43.0 505.361755 21.0 505.981171 22.0 557.017273 20.0 585.683655 22.0 596.507263 27.0 598.999573 20.0 671.102234 23.0 708.272644 20.0 710.109985 30.0 773.969543 18.0 788.832153 18.0 793.108765 28.0 817.31073 18.0 845.319824 25.0 867.070801 26.0 893.085144 20.0 997.557556 17.0 1024.041382 26.0 1033.181396 18.0 1054.361206 18.0 1062.53894 18.0 1071.449707 18.0 1085.10022 18.0 1134.204834 27.0 1166.023071 30.0 1179.35144 22.0 1191.183594 31.0 END IONS BEGIN IONS SCANS=192 PEPMASS=167.02074 CHARGE=-1 COLLISION_ENERGY=0.0 50.661785 18.0 51.468243 25.0 52.001083 18.0 54.947163 22.0 56.667095 29.0 57.917023 25.999998 60.898571 18.0 64.402 22.0 66.525894 22.0 68.023766 62.0 69.008781 674.0 69.031265 24.0 70.01429 20.0 70.4571 26.0 71.007286 18.0 71.245018 20.0 71.994926 29.0 74.585114 22.0 75.565956 28.0 75.620651 20.0 78.870369 18.0 79.95565 107.0 80.333313 18.0 81.007751 106.0 81.065262 18.0 82.013542 19.0 82.219826 36.0 83.855347 21.0 85.950294 34.0 89.698784 20.0 90.623337 17.0 90.63343 21.782652 95.146141 20.0 95.218376 27.0 95.937302 30.0 96.019295 3797.363281 96.68277 18.0 96.903603 18.0 97.004387 804.368958 97.024216 25.133259 97.056137 18.0 98.0075 23.0 98.196991 20.0 99.002762 21.0 99.046967 22.0 103.243851 17.0 105.999725 20.0 106.118416 26.0 107.8256 20.0 108.550888 18.0 111.111938 18.0 112.113441 22.0 115.143417 17.0 119.716522 18.0 121.537506 18.0 121.994232 18.0 122.027359 26.0 122.260178 32.0 123.006462 113.0 123.029259 158.0 123.424683 17.0 123.879951 23.0 123.917831 24.0 124.014595 15755.43457 124.33374 17.0 124.607811 19.0 125.018227 758.0 125.364098 18.0 125.963997 20.0 126.021393 100.0 126.564156 18.0 127.924423 27.0 128.908798 31.0 132.431351 40.0 134.806488 22.0 137.546585 17.0 139.023529 18.0 141.018982 47.0 145.902603 28.0 146.744812 18.0 156.414688 20.0 156.801849 20.0 157.040237 17.0 157.512558 26.0 161.581528 19.0 163.516876 18.0 166.009659 63.0 166.049286 159.035583 166.791428 17.0 167.020874 17478.0 167.061951 18.0 167.081528 93.0 168.023193 1341.0 168.217377 19.0 168.338394 18.0 168.850937 22.0 168.873184 18.0 168.985657 25.0 169.02478 182.950668 169.054886 50.465805 169.658661 25.0 170.024246 23.0 170.050873 20.0 170.414352 22.0 174.059372 20.0 178.300705 31.0 181.124313 18.0 185.972427 17.0 192.768204 19.0 200.898422 17.0 214.976959 22.0 219.54216 22.0 220.271164 43.0 221.814728 28.0 225.029785 22.0 225.693497 18.0 229.7686 26.0 235.082748 21.0 242.48204 17.0 245.236404 18.0 248.985992 20.0 262.172729 19.0 262.460175 29.0 288.588287 18.0 289.745667 18.0 290.469879 18.0 290.816162 20.0 297.149261 18.0 299.528839 20.0 300.079407 31.0 311.111237 20.0 318.286865 28.0 327.173676 18.0 335.047913 229.0 337.065186 17.0 338.297302 34.0 354.326843 28.0 371.252136 20.0 397.123657 18.0 416.946381 26.0 438.12793 18.0 440.836639 18.0 449.852173 18.0 458.753235 20.0 497.190094 22.0 503.075317 89.0 515.572693 21.0 534.103027 18.0 539.589233 35.0 541.229858 29.0 719.377197 18.0 725.052612 25.0 758.00592 39.0 771.982971 20.0 796.621094 18.0 806.555786 18.0 816.477417 18.0 828.004883 28.0 839.124268 25.0 904.19342 17.0 922.865845 17.0 928.146973 21.0 935.141907 18.0 939.374939 18.0 945.160706 17.0 972.200806 19.0 984.096008 19.0 1010.609436 34.0 1053.10437 18.0 1054.651855 18.0 1075.194702 18.0 1127.30957 20.0 1137.294678 29.0 1184.228027 18.0 END IONS BEGIN IONS SCANS=193 PEPMASS=421.13479 CHARGE=-1 COLLISION_ENERGY=0.0 50.97171 21.0 55.016922 18.0 58.004707 37.0 58.25172 19.0 59.013016 1091.0 59.444424 18.0 60.016689 77.0 60.74559 18.0 60.968681 18.0 67.767601 20.0 69.067818 20.0 70.270401 18.0 71.013344 1269.0 71.216309 18.0 72.017052 40.0 72.250336 18.0 73.032288 33.0 74.032173 23.0 74.78994 19.0 77.423775 18.0 83.012962 20.0 83.675102 20.0 85.030037 46.0 87.003731 27.0 87.044296 21.0 88.364624 18.0 89.023727 3916.0 90.027519 158.0 92.073372 25.0 93.664833 20.0 93.985077 21.0 94.82843 18.0 95.014069 149.0 96.960632 29.0 101.023933 1492.0 102.029381 109.0 103.027451 43.0 108.272087 18.0 108.316483 23.0 110.136658 21.0 113.023575 1248.0 114.029045 115.0 114.378067 23.0 115.115891 18.0 118.194572 20.0 119.033897 1866.547485 119.187904 22.0 120.036552 118.0 120.378258 18.0 121.040924 22.0 121.069107 61.0 122.119568 24.0 123.249962 22.0 125.021469 42.0 125.446701 17.0 125.940254 18.0 129.051743 19.0 131.034378 245.0 131.197968 30.0 132.041641 20.0 133.059769 18.0 133.255371 18.0 133.836884 20.0 138.993332 18.0 141.019623 19.0 143.034744 367.0 143.550873 18.0 144.034164 23.0 148.975906 21.0 149.046799 393.0 153.208023 21.0 153.934082 24.0 154.056976 50.0 154.944763 18.0 158.428772 23.0 161.045792 769.240356 161.632233 42.0 161.786911 17.0 162.046295 40.0 162.98497 25.0 164.764847 31.0 164.982254 26.0 165.050156 20.0 167.016663 22.0 167.949463 22.0 168.034851 17.0 168.104294 18.0 168.377274 20.0 172.658951 18.0 172.845703 29.0 178.697952 18.0 178.979279 18.0 179.055344 4894.0 179.086319 39.0 179.311646 20.0 179.471497 20.0 180.058502 248.0 180.200577 18.0 180.740509 18.0 181.062866 76.0 181.926743 18.0 181.96373 38.0 182.063126 28.0 184.241302 25.0 184.332825 18.0 187.071503 47.0 187.095703 38.0 187.260956 25.0 188.164215 18.0 189.837479 17.0 195.063675 40.0 197.054321 26.0 197.959381 264.0 198.956726 23.0 199.04892 22.0 201.549896 18.0 203.080627 52.0 203.955734 18.0 205.931595 18.0 207.043732 18.0 207.990616 17.0 210.398911 22.0 211.938858 24.0 213.814407 23.0 214.500366 18.0 220.908142 17.0 221.051941 22.0 223.968857 28.0 224.051025 20.0 225.066132 45.0 225.9552 162.0 227.975662 55.0 228.96701 20.0 230.013367 22.0 233.687805 20.0 237.065826 18.0 243.085434 20.0 245.642746 18.0 250.047409 18.0 253.034821 20.0 253.987839 22.0 254.934402 25.0 255.030685 18.0 256.96225 35.0 257.302887 18.0 257.982452 22.0 265.162903 42.0 265.702759 17.0 266.946228 18.0 290.378967 21.0 291.094971 23.0 292.583557 18.0 293.200623 32.0 293.900818 17.0 300.320007 19.0 306.464539 25.0 313.649445 17.0 314.882721 24.0 315.105225 63.0 315.978058 56.0 321.554474 17.0 331.16098 20.0 332.126038 22.0 334.079071 26.0 335.052704 58.0 335.083405 34.0 335.184601 21.0 335.402405 18.0 340.609528 31.0 342.633026 24.0 355.118042 18.0 355.214752 37.0 372.421326 51.0 372.720978 22.0 375.127106 112.0 376.123169 24.0 380.416595 20.0 391.419159 18.0 393.172668 25.0 397.494171 20.0 421.133209 442.0 422.137726 136.0 424.034088 144.0 424.111816 21.0 424.612488 18.0 425.372314 17.0 455.156982 21.0 461.107117 22.0 469.949493 18.0 476.887085 22.0 499.18985 24.0 506.523041 18.0 517.287842 18.0 522.397095 20.0 531.382874 21.0 543.141113 17.0 573.467041 18.0 598.502747 25.0 636.670349 24.0 637.509644 18.0 638.574524 20.0 745.167786 21.0 763.228088 21.000002 774.749634 20.0 787.24292 17.0 853.257385 22.0 861.275452 21.0 893.154236 24.0 897.779541 19.0 997.180481 43.0 1034.320557 18.0 1099.047729 20.0 1160.420532 23.0 1184.348145 18.0 END IONS BEGIN IONS SCANS=194 PEPMASS=438.12494 CHARGE=-1 COLLISION_ENERGY=0.0 50.635151 20.0 51.605125 18.0 51.644196 18.0 51.695461 17.0 51.795673 18.0 53.219601 18.0 53.809994 23.0 55.611843 17.0 56.18483 20.0 58.940308 23.0 60.013103 18.0 61.013962 19.0 61.98719 4220.0 62.127251 25.0 62.39809 18.0 62.477486 17.0 62.707142 20.0 62.884357 25.0 62.969872 20.0 62.993786 25.0 63.168419 20.0 63.541092 20.0 64.554283 18.0 65.491707 18.0 66.047134 17.0 67.153679 22.0 68.052574 21.0 68.565445 29.0 70.93927 20.0 75.628754 27.0 76.267853 17.0 78.092873 18.0 83.76561 18.0 84.475342 21.0 84.739685 24.0 86.404884 18.0 89.076729 20.0 90.583145 21.0 91.84903 20.0 91.902382 18.0 93.880486 18.0 95.694267 18.0 96.560135 20.0 100.932945 25.0 109.06073 21.0 111.936134 19.0 113.527466 18.0 113.834595 18.0 114.774117 20.0 115.462715 26.0 116.746201 19.0 118.55114 18.0 123.254852 31.0 123.488747 20.0 124.788628 19.0 126.446289 17.0 131.354218 17.0 133.013748 45.0 137.302994 19.0 137.583572 18.0 137.804428 26.0 141.817383 24.0 142.238052 19.0 142.71376 20.0 142.945053 18.0 144.04808 18.0 144.44101 25.0 145.218643 34.0 146.707077 30.999998 148.04129 19.0 157.037628 18.0 159.619202 18.0 160.888351 25.0 161.568466 22.0 163.503311 18.0 165.0578 18.0 166.503815 21.0 167.022949 230.0 168.024399 23.0 171.072495 45.0 173.489883 19.0 177.363205 20.0 177.554611 42.0 179.050659 20.0 182.245499 19.0 184.501923 23.0 188.950745 18.0 190.777573 18.0 191.785416 20.0 193.965698 18.0 197.185455 22.0 200.742706 19.0 202.017532 18.0 203.713379 18.0 205.18396 20.0 209.127548 18.0 209.582062 38.0 211.112625 20.0 216.008728 25.0 218.603104 28.0 218.640686 18.0 219.599258 18.0 219.657013 18.0 221.47673 20.0 225.674759 36.0 226.497238 18.0 226.980164 18.0 227.754929 18.0 227.967789 18.0 229.51796 18.0 230.114639 20.0 231.165787 25.0 234.042969 17.0 235.310303 35.0 240.051514 50.0 246.818298 18.0 248.074112 24.0 250.334854 26.0 258.063507 37.0 262.031219 17.0 266.98941 23.0 273.024689 24.0 273.097412 18.0 279.129639 19.0 282.554993 23.0 286.978577 18.0 289.023865 24.0 293.659271 17.0 296.174438 21.0 296.236908 22.0 300.046417 21.0 301.064667 19.0 303.056732 30.0 305.695099 18.0 314.44046 18.0 320.945557 20.0 326.439545 29.0 335.050568 119.0 336.040985 18.0 336.066833 18.0 337.05484 22.0 340.648163 23.0 342.187378 25.0 347.049286 26.0 363.917847 25.0 364.038116 27.0 376.251495 18.0 387.775574 22.0 395.139862 18.0 421.061157 18.0 421.143982 36.0 421.489777 24.0 427.821503 19.0 438.124908 777.0 439.125183 95.0 439.9375 24.0 440.132355 20.0 440.251678 27.0 441.130188 20.0 441.238678 37.0 451.505005 20.0 457.741119 21.0 462.246765 42.0 479.190918 20.0 485.090546 18.0 487.11795 21.0 493.839264 17.0 502.198364 24.0 505.798218 18.0 519.941345 18.0 534.183289 78.0 543.150208 20.0 544.158447 17.0 545.159485 19.0 560.648254 17.0 563.852661 26.0 579.221191 34.0 582.641846 26.000002 586.194702 18.0 612.105591 18.0 613.500061 22.0 627.976624 19.0 658.248718 17.0 663.420532 22.0 667.80011 18.0 716.279541 22.0 741.23468 19.0 749.257568 21.0 762.21106 20.0 777.151489 17.0 787.806641 19.0 789.956177 32.0 797.286194 18.0 800.29126 50.0 815.248413 20.0 873.55658 21.0 925.251465 19.0 945.349792 20.0 962.124268 28.0 963.098877 18.0 986.210815 25.0 1010.281494 21.0 1032.308228 18.0 1036.341797 18.0 1060.375122 19.0 1117.272217 25.0 1124.054077 21.0 1141.800781 20.0 1146.063965 22.0 1155.333374 26.0 1169.271606 18.0 1186.258179 19.0 1193.762939 17.0 END IONS BEGIN IONS SCANS=195 PEPMASS=203.08205 CHARGE=0 COLLISION_ENERGY=0.0 51.571987 19.0 54.140354 29.0 54.668034 17.0 55.361462 20.0 71.222839 17.0 74.025208 453.0 75.025856 47.0 75.547997 18.0 76.125092 18.0 76.393341 18.0 77.873573 18.0 97.695053 18.0 99.683205 22.0 105.55822 18.0 108.583282 17.0 111.00721 17.0 112.926483 18.0 113.943878 20.0 114.021736 20.0 115.016899 18.0 116.051407 1449.0 117.052757 91.0 118.057098 18.0 118.114609 18.0 118.833038 24.0 125.025536 36.0 126.209053 20.0 129.057892 20.0 130.06424 18.0 132.077209 21.0 132.148224 18.0 140.192383 25.0 141.884384 18.0 142.065964 485.0 143.070892 138.0 143.179413 20.0 144.071136 25.0 151.036835 20.0 159.093323 120.0 160.098282 60.0 160.71637 20.0 161.051239 18.0 163.013199 18.0 166.440781 17.0 169.68985 19.0 175.4711 17.0 178.243835 22.0 181.064346 21.0 185.069504 18.0 186.053909 76.0 187.052292 25.0 187.069061 22.0 189.020004 18.0 196.030457 18.0 201.072632 19.0 203.083328 837.0 204.087509 96.0 205.095932 24.0 206.998352 20.0 207.018936 55.0 216.362137 20.0 221.324966 20.0 222.999481 23.0 227.362335 20.0 230.017044 18.0 230.073868 21.0 234.953629 17.0 246.106003 18.0 283.073578 18.0 286.40094 25.0 289.174469 18.0 291.016785 17.0 293.646912 18.0 305.808746 18.0 316.035309 17.0 318.857178 19.0 322.285736 22.0 327.155518 18.0 331.339233 36.0 334.448883 18.0 335.04895 49.0 337.91803 24.0 353.917542 18.0 354.183228 37.0 356.785522 19.0 369.832397 18.0 376.422607 25.0 381.821442 17.0 382.186127 17.0 407.923492 18.0 416.899536 18.0 433.674377 21.0 457.582428 18.0 465.618835 22.0 475.686432 18.0 477.09256 17.0 499.178894 18.0 500.133148 17.0 510.016327 19.0 516.211487 24.0 521.674622 21.0 534.531494 18.0 538.853516 35.0 549.119873 19.0 608.621155 17.0 664.870911 18.0 687.754211 17.0 688.345154 22.0 728.997314 20.0 751.013306 22.999998 760.290649 18.0 806.456482 18.0 817.063293 27.0 821.019104 18.0 866.175903 18.0 888.623291 17.0 917.14325 24.0 943.187195 18.0 956.586182 28.0 1128.379272 37.0 1137.375366 20.0 1140.406372 20.0 1151.445679 19.0 1152.136353 18.0 1180.370972 22.0 END IONS BEGIN IONS SCANS=196 PEPMASS=282.08365 CHARGE=-1 COLLISION_ENERGY=0.0 57.653278 18.0 58.841949 27.0 59.214062 20.0 60.810719 22.0 61.706371 40.0 61.988976 66.0 62.785454 32.0 62.982159 17.0 65.999115 22.0 66.010689 18.0 66.317841 20.0 67.004784 18.0 67.68071 18.0 69.519936 18.0 70.557716 18.0 71.012444 21.0 77.15316 30.0 78.012047 37.0 78.968414 36.0 82.040695 64.0 82.17849 18.0 85.254478 18.0 85.632042 18.0 86.883255 19.0 87.007805 371.523743 87.201202 17.0 90.609276 18.0 91.290817 21.0 91.739532 49.0 92.393181 22.0 93.656319 18.0 95.108284 21.0 95.515442 18.0 96.053619 18.0 97.053459 18.0 98.52861 60.0 99.994781 18.0 101.276848 20.0 103.005249 21.0 105.018471 36.0 105.299896 18.0 105.375931 33.0 106.02919 18.0 107.03669 277.0 107.405632 17.0 107.585381 18.0 107.935417 17.0 108.019722 672.416321 108.038422 50.583702 109.028084 18.0 109.978218 22.0 110.066032 18.0 111.041107 19.0 113.982193 18.0 114.134659 18.0 119.556839 21.0 120.217186 24.0 120.975746 18.0 122.040199 23.0 122.897102 20.0 122.974068 18.0 123.016838 28.0 124.832527 23.0 125.380043 32.0 125.599457 21.0 125.636627 21.0 126.027199 17.0 128.587296 18.0 130.012192 18.0 131.343323 18.0 132.836502 18.0 133.015778 2019.354248 133.593094 22.0 134.014999 40.0 135.520523 18.0 136.467117 17.0 136.99292 23.0 144.136383 25.0 146.960571 48.0 147.884552 24.0 148.438141 23.0 148.972122 24.0 149.04213 46.0 150.041534 10337.605469 150.092682 38.0 150.371384 35.0 151.044617 880.0 151.716461 19.0 152.04628 56.0 154.291656 33.0 154.458069 24.0 154.606674 21.0 156.615402 40.0 157.040237 24.0 158.366119 19.0 158.639175 18.0 164.054901 38.0 164.499069 24.0 171.839279 17.0 180.065384 22.0 180.215973 18.0 185.236023 18.0 187.292679 18.0 190.975601 18.0 192.355942 18.0 198.986328 19.0 210.293121 18.0 216.251678 21.0 217.027405 20.0 220.054367 67.0 223.02742 22.0 226.081848 24.0 234.261856 18.0 245.846329 18.0 254.380493 20.0 259.541443 20.0 267.070343 17.0 268.433044 20.0 278.482117 18.0 279.712494 19.0 280.85257 20.0 281.251373 17.0 282.084198 2033.0 283.088745 297.109314 283.262451 17.0 284.068878 17.0 284.091309 35.0 287.134033 22.0 304.496887 29.0 305.867401 21.0 307.000305 18.0 311.17746 18.0 322.357178 34.0 345.089569 45.0 346.076263 27.0 348.275757 18.0 357.76181 18.0 359.258087 21.0 384.786499 20.0 384.970551 25.0 391.873871 18.0 394.301392 20.0 394.889099 20.0 417.93042 18.0 424.949799 18.0 428.229706 22.0 438.122375 17.0 442.241608 23.0 450.888672 21.0 510.960815 29.999998 585.277161 18.0 628.172546 40.0 629.144104 23.0 629.179565 18.0 630.202393 23.0 638.061768 30.0 893.228149 20.0 1011.835205 18.0 1105.547363 28.0 1135.759277 30.0 1158.271362 19.0 1187.519775 26.0 1193.096069 17.0 END IONS BEGIN IONS SCANS=197 PEPMASS=628.17104 CHARGE=-1 COLLISION_ENERGY=0.0 50.06802 20.0 50.217953 20.0 50.304596 21.0 50.865463 18.0 51.630409 18.0 51.751457 37.0 52.361496 21.0 52.587879 27.0 52.96534 22.0 53.512077 20.0 53.810696 18.0 54.95158 18.0 54.991425 17.0 55.40303 29.0 59.55785 18.0 60.139179 18.0 61.988247 1981.0 62.093887 19.0 62.445042 22.0 62.970669 21.0 65.299271 20.0 65.726189 18.0 66.211021 18.0 67.148132 18.0 69.027817 20.0 71.452614 46.0 74.677849 27.0 75.484512 18.0 75.844902 19.0 78.63736 18.0 83.70607 34.0 84.530846 26.0 86.111351 18.0 86.420547 33.0 88.247223 18.0 88.618011 18.0 92.496948 22.0 94.270828 23.0 96.756737 19.0 97.14888 18.0 98.128586 23.0 100.322266 20.0 102.074837 22.0 102.755745 18.0 103.223091 18.0 105.644966 18.0 105.918144 23.0 108.619102 44.0 112.132301 23.0 115.288139 18.0 116.92807 25.0 117.638733 19.0 117.927116 20.0 119.38829 18.0 119.838829 18.0 124.97773 26.0 130.589279 19.0 136.106949 28.0 136.979874 18.0 138.714066 21.0 139.641068 35.0 142.730713 21.0 146.215179 18.0 146.964005 89.0 150.049622 20.0 155.012695 17.0 156.601288 18.0 162.94017 40.0 170.984161 20.0 181.018417 18.0 184.888733 17.0 186.003448 18.0 186.971603 27.0 189.262024 18.0 192.016342 32.0 194.647995 22.0 194.903152 22.0 197.865265 24.0 201.366135 18.0 203.34079 24.0 203.385284 21.0 203.761368 28.000002 204.339417 18.0 205.181778 17.0 206.054169 18.0 210.483063 56.0 211.275085 26.0 211.412628 32.0 212.153198 34.0 212.226715 18.0 213.199478 21.0 228.011856 24.0 230.99913 19.0 235.334457 18.0 243.11792 17.0 250.679581 17.0 252.729279 26.0 260.934052 18.0 262.75592 20.0 264.851288 20.0 266.734955 18.0 269.969391 23.0 277.824127 18.0 282.084778 306.0 283.086426 119.0 284.087036 35.0 286.044769 24.0 295.383667 24.0 306.084015 18.0 307.667664 20.0 311.955658 26.0 313.98291 20.0 317.802704 17.0 325.179382 20.0 338.042603 25.0 340.745911 39.0 344.464172 22.0 345.079834 3814.068359 345.440643 26.0 345.828003 39.0 345.985962 18.0 346.085785 519.0 347.077423 90.0 348.080963 18.0 349.091492 18.0 359.792542 37.0 362.485992 18.0 371.148285 18.0 378.762756 34.0 380.220245 22.0 383.033081 18.0 399.001587 17.0 402.750336 41.0 409.801331 18.0 410.159241 18.0 415.04657 19.0 418.931 18.0 441.0336 18.0 443.78302 22.0 446.039795 18.0 449.143982 22.0 452.471558 34.0 462.882202 21.0 477.058136 18.0 483.984619 18.0 506.926849 21.0 509.081146 20.0 511.469849 19.0 530.250854 18.0 530.922058 21.0 542.054077 20.0 557.807251 18.0 565.167603 30.0 566.11554 18.0 579.257568 19.0 584.356506 27.0 588.045776 18.0 609.048645 25.0 610.061462 18.0 618.908752 18.0 628.16925 118.0 628.363464 98.0 629.179016 20.0 630.178589 34.0 684.387024 21.0 688.160889 17.0 695.071533 24.0 703.026001 19.0 708.608887 20.0 720.980896 18.0 729.133423 18.0 735.526428 18.0 749.177063 18.0 759.010559 18.0 767.067871 20.0 807.39093 17.0 837.080261 17.0 869.04541 33.0 891.036499 18.0 942.280029 31.0 972.574402 17.0 974.976562 18.0 975.251831 18.0 975.983582 18.0 1011.885132 18.0 1037.179932 18.0 1043.040771 30.0 1112.215698 18.0 1131.38623 20.0 1136.154541 18.0 1142.399414 28.0 1148.333374 20.0 1178.185669 22.0 1190.320435 17.0 1190.593262 18.0 END IONS BEGIN IONS SCANS=198 PEPMASS=144.04478 CHARGE=0 COLLISION_ENERGY=0.0 58.212322 18.0 58.904102 23.0 59.079552 19.0 59.448261 17.0 61.987587 96.0 62.281742 18.0 65.995079 24.0 68.333603 18.0 72.078201 21.0 78.779541 22.0 82.440697 18.0 82.715126 42.0 83.015747 25.0 83.724243 18.0 83.967148 24.0 85.028008 75.0 85.308456 24.0 87.007057 38.0 88.587524 19.0 92.428108 17.0 98.19912 18.0 99.010986 18.0 99.928307 21.0 100.935951 20.0 101.026108 64.0 101.604866 27.0 102.033783 81.0 103.039009 58.0 104.043724 22.0 105.580185 18.0 106.034142 19.0 106.125473 18.0 108.754669 25.0 109.99633 19.0 111.303345 17.0 112.492241 29.0 115.040985 42.0 117.233841 23.0 119.833694 21.0 125.987152 25.0 126.899498 18.0 129.018143 325.0 132.397186 19.0 134.807724 30.0 139.04306 20.0 140.334442 24.0 141.974396 23.0 143.11116 23.0 144.045151 2865.0 145.049652 376.312653 145.11412 20.0 145.152237 22.0 146.340027 17.0 146.968948 54.0 147.026337 99.0 147.044952 18.0 148.043289 38.0 149.693741 22.0 153.355118 31.0 156.406891 22.0 161.063156 23.0 162.74144 17.0 171.218231 20.0 181.263107 17.0 186.153809 27.0 187.798004 20.0 188.193497 18.0 189.116821 18.0 194.289474 18.0 198.438278 18.0 202.18483 20.0 208.286392 30.0 213.04953 18.0 214.675797 20.0 228.517288 27.0 234.865128 35.0 235.202774 21.0 243.673874 23.0 247.982681 23.0 248.387573 17.0 268.537811 17.0 269.704468 20.0 272.030701 18.0 274.020203 20.0 275.735168 20.0 281.063507 22.0 286.529663 57.0 293.223846 17.0 295.131805 17.0 297.313171 19.0 314.346588 17.0 324.767883 21.0 325.2883 17.0 325.507355 18.0 328.486877 22.0 335.236481 24.0 345.072937 24.0 349.751465 21.0 355.300964 32.0 367.105835 21.0 367.546417 21.0 389.675812 19.0 390.481018 19.0 393.403931 23.0 395.242584 22.0 396.535828 21.0 409.707062 18.0 424.780334 18.0 425.609528 25.0 432.102417 22.0 438.743011 18.0 455.286621 18.0 472.231964 20.0 554.679871 21.0 598.957336 18.0 651.050171 23.0 682.18927 18.0 777.713379 29.0 851.284668 25.0 946.029968 17.0 964.189636 17.0 1078.51001 27.0 END IONS BEGIN IONS SCANS=199 PEPMASS=188.03477 CHARGE=0 COLLISION_ENERGY=0.0 51.21434 22.0 54.331062 20.0 60.098293 19.0 61.984303 38.0 65.998192 98.0 66.995781 18.0 68.330688 22.0 71.014404 19.0 71.88607 18.0 74.023888 18.0 82.02639 21.0 84.042618 24.0 85.02887 110.0 87.008072 199.0 88.014595 26.0 88.19294 17.0 96.25515 21.0 99.009033 17.0 99.044495 20.0 100.952034 22.0 101.440857 19.0 101.936775 20.0 102.03376 135.0 102.946983 80.0 102.990654 20.0 103.035713 22.0 110.045273 18.0 111.010262 125.0 113.01841 18.0 115.043358 22.0 116.048508 54.0 117.052284 20.0 122.892357 21.0 125.022568 20.0 125.070961 97.0 125.098198 18.0 126.054337 17.0 127.047806 174.0 128.041321 37.0 129.016281 24.0 135.878784 23.0 141.12793 17.0 141.867096 35.0 143.044098 84.367744 143.067825 40.0 143.769669 18.0 144.044601 12026.308594 144.476196 23.0 144.892746 24.0 144.953003 18.0 145.047989 1281.592041 146.051941 88.0 146.137695 18.0 147.060638 19.0 159.991364 35.0 160.891708 22.0 162.71167 20.0 162.892609 20.0 169.064285 31.0 187.050873 20.0 187.074097 68.0 187.098877 20.0 188.032639 241.0 189.033966 37.0 191.019638 18.0 191.105179 25.0 199.1745 26.0 204.378571 20.0 210.545776 17.0 213.629669 18.0 229.891708 17.0 254.517044 21.0 257.212982 18.0 266.861694 21.0 280.078888 18.0 285.53421 31.000002 301.300507 18.0 319.054535 18.0 320.915588 25.0 323.28891 20.0 355.214111 18.0 374.555054 19.0 425.0802 17.0 463.112976 18.0 495.214417 19.0 495.365082 22.999998 499.294678 18.0 502.062073 22.0 536.009216 23.0 711.659424 18.0 712.519836 17.0 817.934875 20.0 END IONS BEGIN IONS SCANS=200 PEPMASS=524.12556 CHARGE=0 COLLISION_ENERGY=0.0 51.649967 19.0 57.009514 17.0 57.374016 18.0 61.987865 672.0 62.303524 18.0 67.737297 17.0 72.665268 17.0 75.700737 30.0 80.602936 18.0 85.222206 22.0 89.022362 54.0 93.040855 32.0 99.739342 20.0 103.73143 18.0 105.989059 18.0 106.86834 20.0 110.90873 18.0 114.950813 17.0 120.660934 18.0 120.744057 43.0 122.024849 22.0 128.05661 18.0 131.537766 22.0 131.733734 17.0 132.617157 18.0 135.594559 38.0 137.023544 336.0 137.86409 17.0 138.028961 85.0 142.33815 18.0 146.963882 120.0 147.976151 24.0 152.993225 19.0 155.030014 26.0 157.057266 24.0 161.051224 20.0 162.933838 35.0 166.765915 18.0 175.933472 28.0 179.033585 47.0 179.066254 62.0 179.586548 35.0 180.05014 18.0 183.667801 20.0 188.478455 18.0 195.912903 18.0 197.0961 18.0 197.959854 26.0 198.128494 20.0 202.631439 18.0 203.458069 18.0 207.224091 20.0 214.894226 21.0 216.345108 34.0 217.102386 20.0 217.551254 26.0 225.920135 24.0 237.351746 18.0 253.493698 18.0 254.241013 18.0 258.164673 17.0 262.60672 25.0 267.840637 22.0 274.686035 20.0 275.933197 24.0 299.037964 20.0 301.208954 18.0 302.282135 17.0 311.174255 24.0 326.074799 28.0 339.208191 30.0 341.264862 39.0 346.650543 18.0 350.130951 25.0 355.350952 27.0 366.444305 22.0 385.300079 31.0 387.960022 19.0 394.426361 20.0 398.987549 17.0 406.892578 23.0 407.008972 17.0 410.02124 20.0 413.719666 17.0 417.29657 18.0 433.34903 18.0 445.476074 24.0 454.01239 18.0 461.128113 267.0 461.245483 18.0 462.138794 98.0 486.051941 18.0 500.765259 18.0 502.533234 20.0 524.121399 116.0 525.136292 50.0 536.217529 18.0 550.783508 18.0 625.0896 18.0 707.015686 27.0 772.739319 17.0 783.569153 35.0 807.234985 18.0 893.296936 18.0 910.005005 22.0 1103.892578 18.0 END IONS BEGIN IONS SCANS=201 PEPMASS=367.10463 CHARGE=0 COLLISION_ENERGY=0.0 50.438927 18.0 50.492668 18.0 52.358273 23.0 52.864006 21.0 54.208572 20.0 55.73922 25.0 60.171967 18.0 60.497429 18.0 61.025024 19.0 61.622578 21.0 62.268776 17.0 62.55328 21.0 66.947044 18.0 67.417404 22.0 69.029648 19.0 69.24366 21.0 69.314247 19.0 69.768806 20.0 71.013695 361.0 71.40625 20.0 71.708366 27.0 74.034325 20.0 75.175644 46.0 75.232475 20.0 75.436966 24.0 76.631721 23.0 79.395668 24.0 79.936264 20.0 80.222565 22.0 80.446815 26.0 80.767509 20.0 81.031044 18.0 81.084862 18.0 81.661171 19.0 82.374763 28.999998 83.130524 19.0 84.012344 26.0 85.031837 89.0 87.00721 21.0 87.4338 18.0 89.021843 19.0 97.029015 53.0 99.678818 18.0 100.008392 22.0 101.021828 109.0 102.131065 23.0 105.963768 20.0 107.804108 24.0 107.914879 47.0 108.309074 23.0 108.980827 19.0 109.823288 30.0 109.902657 20.0 111.008926 22.0 112.452003 18.0 113.02388 930.254761 114.025421 174.0 115.019958 691.0 115.041428 22.0 116.31321 19.0 118.65509 22.0 120.058197 20.0 120.738388 20.0 122.661423 22.0 122.777382 22.0 125.022873 133.0 125.364441 30.0 126.021141 18.0 126.633202 26.0 127.021698 100.0 128.768723 26.0 129.440674 25.0 130.02533 23.0 130.086639 26.0 130.723709 18.0 132.192184 18.0 133.031891 85.0 135.731491 25.0 136.990112 28.0 143.032074 56.0 143.115799 18.0 144.041656 191.463516 145.02919 140.0 146.057831 18.0 146.875061 55.0 147.023682 25.0 147.93187 20.0 148.039062 39.0 152.357285 18.0 153.014084 42.0 156.034592 98.0 157.031708 305.0 158.034744 60.0 160.507156 20.0 162.788071 26.0 162.888199 18.0 162.984848 21.0 165.038376 18.0 169.030548 451.756897 170.162354 18.0 171.037994 19.0 175.039978 23.0 175.849426 17.0 179.045105 44.0 184.178574 28.0 184.40419 18.0 186.046646 401.376007 186.886795 18.0 187.040649 1379.0 187.10672 114.0 188.039795 117.0 188.874557 18.0 198.040741 20.0 199.018753 22.0 199.044708 70.0 202.048386 76.0 204.056061 108.0 204.099976 26.0 205.051315 511.232117 205.87619 30.0 206.060852 26.0 207.057007 17.0 207.613754 21.0 209.006546 22.0 211.033768 42.0 211.641388 25.0 217.049927 139.0 217.698395 28.0 219.12767 21.0 223.097321 27.0 225.681305 18.0 226.289948 18.0 226.879105 75.0 227.04924 39.0 229.139099 18.0 235.848221 20.0 246.066544 18.0 247.05748 74.0 247.389099 20.0 248.962662 20.0 250.087753 18.0 250.921982 20.0 251.067245 22.0 252.161331 27.0 258.179047 18.0 258.359558 20.0 258.954498 18.0 259.400146 19.0 260.743347 18.0 261.107086 18.0 267.134613 18.0 273.03476 26.0 276.077545 252.0 277.07193 1547.0 278.0755 142.0 278.376923 27.0 279.08374 148.0 280.103638 20.0 280.195984 25.0 282.35614 28.0 284.623749 20.0 286.616913 30.0 289.776855 18.0 291.045746 18.0 291.201355 18.0 293.74408 22.0 296.579102 36.0 299.930328 17.0 302.205353 18.0 303.108002 53.0 306.098907 20.0 307.087921 105.0 308.072601 20.0 308.526489 22.0 320.57663 18.0 324.103546 20.0 332.750244 18.0 335.125092 18.0 337.691895 20.0 350.983398 18.0 353.848938 20.0 358.185913 18.0 358.377197 34.0 366.108643 563.0 367.104126 2451.0 367.220581 18.0 368.108063 398.0 368.324127 18.0 369.100922 28.0 369.522797 18.0 384.163147 19.0 389.109528 691.0 390.117279 187.0 391.10907 27.0 395.455109 22.0 402.10257 23.0 404.590851 17.0 435.076996 17.0 448.719025 20.0 452.097839 18.0 453.197021 40.0 490.044556 24.0 499.056793 25.0 573.568359 19.0 594.578674 23.0 607.263916 24.0 614.629211 24.0 631.528564 19.0 635.175598 18.0 657.180359 18.0 669.165405 18.0 708.557556 18.0 722.250671 18.0 730.452087 37.0 779.220032 157.0 780.246094 101.0 781.224548 18.0 782.232239 23.0 801.212158 35.0 812.030212 17.0 815.980469 21.0 817.165344 102.0 819.167358 22.0 821.195435 17.0 823.236572 18.0 824.73407 18.0 832.143616 20.0 911.742065 22.0 941.310486 22.0 947.449585 30.0 962.320679 22.0 992.379761 18.0 1004.321716 18.0 1012.726135 59.0 1013.242737 26.0 1020.709656 43.0 1025.209961 30.0 1025.268799 30.0 1043.341553 20.0 1050.25 20.0 1066.64624 22.0 1075.484375 20.0 1095.295654 20.0 1125.740356 32.0 1136.712646 18.0 1141.764038 20.0 1169.800903 17.0 1188.299072 37.0 1191.356445 17.0 1192.320557 18.0 1193.289307 18.0 1199.852173 19.0 END IONS BEGIN IONS SCANS=202 PEPMASS=299.08024 CHARGE=0 COLLISION_ENERGY=0.0 50.505173 22.0 50.516254 18.0 50.757355 18.0 51.124157 18.0 51.685219 27.0 52.051228 20.0 52.153133 18.0 52.90588 22.0 53.046959 28.0 53.562103 17.0 55.682594 22.0 56.865482 22.0 56.96759 38.0 57.683456 25.0 57.897758 19.0 58.412189 20.0 59.62355 26.0 60.063503 20.0 62.318417 17.0 64.253944 31.0 65.192329 22.0 66.091759 18.0 66.358597 19.0 66.994377 24.0 68.049736 23.0 69.035309 21.0 69.070587 19.0 69.092278 18.0 69.733696 27.0 72.277252 25.0 74.199753 24.0 78.285538 22.0 78.953674 21.0 79.052025 18.0 79.962402 22.0 83.844284 19.0 85.064041 44.0 85.443306 18.0 86.622467 19.0 86.954468 17.0 87.044167 20.0 88.453499 18.0 88.545387 28.0 89.600121 21.0 90.757217 36.0 91.04908 33.0 91.323486 20.0 91.526558 31.0 92.023666 20.0 92.973221 22.0 93.477974 18.0 93.936989 26.0 94.037376 22.0 95.086548 23.0 95.375526 21.0 96.606903 17.0 96.959312 9804.807617 97.026543 19.0 97.067543 17.0 97.182213 22.0 97.272209 17.0 97.434647 18.0 97.471283 18.0 97.539963 19.0 97.677849 20.0 97.721115 28.0 97.957886 55.0 98.28624 18.0 98.385971 19.0 98.63649 18.0 98.793884 20.0 98.9562 454.014038 99.002403 25.0 99.031731 25.0 99.086479 17.0 99.142509 25.0 99.329964 24.0 99.594025 18.0 100.247826 20.0 100.725151 21.0 100.954597 20.0 101.371849 18.0 101.959099 17.0 102.417091 23.0 103.040222 18.0 103.534042 33.0 106.910118 19.0 107.627869 19.0 108.171669 18.0 108.499786 18.0 110.023003 21.0 111.081497 36.0 112.117584 23.0 113.062042 242.0 113.095871 65.0 113.388443 18.0 113.779755 42.0 114.062233 18.0 114.10627 19.0 114.64682 22.0 115.039902 66.0 121.359253 27.0 122.396172 25.0 123.007568 18.0 123.060722 27.0 126.022369 20.0 126.968925 17.0 127.052635 27.0 129.055298 19.0 129.660263 30.0 130.060471 21.0 131.732285 18.0 132.63678 18.0 133.00885 17.0 133.025131 21.0 133.110474 39.0 134.981659 18.0 139.036407 23.0 140.044128 23.0 141.054611 18.0 142.188019 18.0 144.069809 29.0 144.574615 22.0 145.272842 41.0 146.04631 17.0 149.061218 23.0 150.593384 32.0 151.044708 26.0 152.853989 19.0 153.056961 22.0 153.800949 26.0 155.068192 19.0 157.549194 20.0 159.039505 47.0 161.063065 37.0 162.344818 25.0 164.044785 20.0 165.044418 17.0 167.956299 21.0 169.657959 22.0 169.996292 21.0 172.056015 22.0 173.569702 18.0 175.132919 18.0 177.640976 26.0 179.032867 41.0 179.718674 20.0 180.335388 19.0 182.53775 20.0 182.90567 21.0 184.105377 18.0 184.127258 23.0 186.887711 20.0 187.044617 21.0 188.039749 37.0 190.300995 21.0 190.962631 18.0 193.019348 30.0 193.064072 28.0 198.261215 24.0 201.111984 176.0 203.103867 26.0 205.229004 18.0 206.953629 18.0 209.05011 25.0 210.035309 21.0 211.580902 21.0 212.897049 24.0 214.030106 18.0 217.271851 22.0 219.122879 1602.0 219.227905 18.0 220.12442 161.0 221.126633 101.0 222.012772 23.0 222.082291 18.0 222.129425 19.0 222.367065 20.0 224.068558 24.0 226.294083 20.0 232.501648 18.0 232.836212 19.0 239.868195 23.0 243.038498 28.0 250.687119 18.0 250.993637 20.0 255.088409 18.0 258.04364 19.0 261.969971 20.0 269.524689 19.0 269.866211 22.0 270.536804 22.0 281.066772 43.0 282.074219 18.0 283.041443 22.0 284.334015 17.0 292.431641 20.0 293.225586 18.0 298.154083 81.0 299.07959 7492.0 299.148163 71.0 300.084534 792.0 300.151978 26.0 301.039062 20.0 301.078796 536.0 301.172119 30.0 302.078247 90.0 303.04306 20.0 303.102478 26.0 304.228088 20.0 308.893463 18.0 317.745667 20.0 323.088745 21.0 324.537079 20.0 329.829651 18.0 330.94455 17.0 343.810272 27.0 345.419098 26.0 357.096222 18.0 365.964844 18.0 366.209198 43.0 369.477051 17.0 376.602936 20.0 389.108765 580.0 390.111755 78.0 391.11084 18.0 393.039673 39.0 414.390381 31.0 419.415955 34.0 440.38501 19.0 444.828735 17.0 463.058411 22.0 463.893982 21.0 467.534729 17.0 489.006378 18.0 503.761566 18.0 537.190002 26.0 540.356689 20.0 547.422058 34.0 556.15979 18.0 563.19574 20.0 589.674438 22.0 607.182556 20.0 618.02655 17.0 634.141663 20.0 641.534851 17.0 676.360229 21.0 756.167664 18.0 759.208496 44.0 779.219421 112.0 780.229797 95.0 782.242188 37.0 801.202698 40.0 814.61676 18.0 817.187927 215.0 833.115662 18.0 834.127075 26.0 835.115662 20.0 866.631104 18.0 874.180359 18.0 898.289856 19.0 984.498169 20.0 990.257019 30.0 993.772888 19.0 996.251404 21.0 1012.257935 25.0 1022.200989 18.0 1031.253662 18.0 1033.197266 20.0 1057.189819 20.0 1080.199219 22.0 1088.279419 24.0 1105.547363 39.0 1144.287842 20.0 1147.284424 20.0 1169.367798 22.0 1175.72583 17.0 1188.836182 41.0 1191.346069 21.0 1194.034668 30.0 1199.329346 19.0 END IONS BEGIN IONS SCANS=203 PEPMASS=779.22478 CHARGE=-1 COLLISION_ENERGY=0.0 51.293751 27.0 54.458889 18.0 55.020348 22.0 56.831287 46.0 56.892746 35.0 59.01281 783.0 59.235985 20.0 60.517014 20.0 60.785011 32.0 61.377182 38.0 61.397026 18.0 63.333214 18.0 66.651627 31.0 68.995239 19.0 71.013245 637.0 72.010078 19.0 72.067429 20.0 72.971756 18.0 73.032028 32.0 76.117279 17.0 77.836365 22.0 79.933655 34.0 81.032684 95.0 81.434967 24.0 81.67955 17.0 82.036263 24.0 83.013412 18.0 84.059563 29.0 84.14753 23.0 85.029007 138.0 85.455994 20.0 86.030586 18.0 87.004692 54.0 87.053375 22.0 88.005074 22.0 89.023575 2047.177734 90.026855 74.0 91.057869 18.0 91.44635 17.0 91.628639 19.0 93.029205 37.0 93.142433 20.0 94.514908 17.0 97.028755 20.0 97.962929 22.0 98.313843 30.0 98.885353 22.0 98.900543 19.0 99.043999 455.0 99.190186 18.0 99.75782 19.0 101.023804 1336.0 101.056213 21.0 101.82254 23.0 102.02681 72.0 102.368828 18.0 102.912163 18.0 105.925934 20.0 107.036232 59.163177 107.053017 78.836823 109.027122 62.0 109.065018 39.0 109.867844 20.0 110.068802 20.0 110.258972 22.0 110.310165 32.0 111.044792 68.0 112.749802 25.0 112.829269 18.0 113.024429 957.76532 114.026306 67.0 115.669136 20.0 118.472855 41.0 119.033989 1859.417847 119.249809 24.0 120.041405 145.0 121.028503 352.0 121.171066 18.0 121.512642 18.0 122.031876 24.0 122.082359 18.0 122.198143 40.0 123.044395 33.0 124.979935 20.0 125.020279 83.0 125.059143 20.0 125.080147 17.0 125.426071 18.0 126.301926 18.0 127.55735 19.0 128.570084 18.0 131.03508 245.0 131.832886 22.0 134.038727 18.0 135.043091 248.0 136.046722 37.0 137.059769 3154.0 137.934998 21.0 138.063492 151.0 139.039291 1356.0 139.067566 66.0 139.193634 18.0 139.35321 22.0 139.387009 18.0 139.607986 18.0 140.039078 46.0 142.295563 20.0 143.037491 312.0 143.335297 28.0 147.044037 269.0 147.805038 23.0 147.976059 20.0 148.037674 37.0 149.027344 25.0 149.045029 178.0 150.054337 18.0 151.974899 18.0 152.639084 22.0 153.055908 579.439819 154.061356 38.0 154.601257 24.0 155.732269 20.0 159.957855 29.0 161.045044 916.0 161.176697 22.0 162.045105 57.0 165.054626 4728.0 165.962296 18.0 166.029373 24.0 166.059296 606.425659 166.86821 25.0 168.232056 51.0 175.455048 18.0 179.020493 18.0 179.054214 1849.0 180.06308 167.0 181.062836 62.76112 181.102814 31.0 181.961365 18.0 182.480286 18.0 183.02243 43.0 183.065247 7159.686523 183.182816 19.0 183.77298 22.0 184.069656 504.0 185.077499 99.0 185.681931 18.0 187.41597 33.0 189.319061 26.0 189.568176 18.0 189.692154 17.0 190.878235 19.0 191.033386 272.0 192.036377 36.0 193.221237 20.0 200.122726 20.0 202.975739 18.0 205.328445 21.0 207.058472 18.0 207.848022 22.0 208.620483 22.0 209.044342 6646.0 209.590958 18.0 209.815323 25.0 210.048141 784.0 211.05162 161.0 211.548615 32.0 211.941025 18.0 212.800552 22.0 213.05249 17.0 215.41214 17.0 215.723892 18.0 219.179642 17.0 219.666641 20.0 220.686203 22.0 223.787262 18.0 227.004196 19.0 227.05484 5139.624023 228.059113 637.0 228.981766 28.0 229.074554 18.0 243.07988 44.0 244.059387 21.0 246.338455 18.0 252.553635 22.0 258.929047 21.0 260.364075 23.0 263.075317 20.0 267.621582 22.0 269.064026 21.0 275.350372 21.0 284.368042 18.0 295.076233 25.0 296.202942 26.0 297.373962 19.0 299.381042 27.0 301.676605 31.0 303.995392 18.0 304.100281 20.0 304.155029 28.0 305.27359 18.0 317.254333 20.0 325.080322 23.0 329.929901 22.0 340.239105 17.0 341.779907 17.0 352.738342 18.0 361.366333 20.0 368.59967 17.0 371.094849 104.0 372.098755 18.0 374.171478 18.0 381.458069 27.0 383.356354 71.0 383.416016 75.0 383.488159 20.0 383.750305 17.0 384.187378 20.0 384.366302 18.0 384.427124 35.0 384.502319 26.0 385.460419 18.0 386.47525 20.0 387.832153 35.0 388.638062 20.0 388.713531 42.0 388.769867 18.0 388.814667 23.0 388.846252 18.0 388.963043 35.0 389.024872 18.0 389.050934 19.0 389.1073 121818.460938 389.198425 5591.921387 389.30484 32.0 389.329559 81.552391 389.396667 111.782532 389.493896 57.0 389.537628 35.0 389.591309 18.0 389.620697 21.0 389.719849 18.0 389.815704 25.0 389.89209 27.0 390.11026 25729.326172 390.186737 34.292049 390.223541 71.274994 390.345825 35.0 390.399353 20.0 390.531616 39.0 390.628906 17.0 390.832733 27.0 390.973724 18.0 391.05719 18.0 391.111633 4904.0 391.234467 54.0 391.326599 18.0 391.459259 18.0 391.568817 18.0 391.837433 20.0 391.900085 41.0 392.11676 305.0 392.175781 37.0 392.234314 18.0 392.371704 23.0 392.694397 18.0 392.888153 18.0 393.011749 53.861675 393.048798 44.0 393.172821 43.0 393.389099 17.0 393.560211 18.0 394.37146 27.0 394.425873 22.0 394.7099 17.0 394.837738 18.0 395.017578 17.0 395.12262 17.0 395.147522 18.0 395.227173 29.0 395.393677 18.0 396.365967 20.0 396.514587 21.0 396.611969 20.0 396.68277 18.0 398.211212 20.0 399.318176 22.0 401.490845 20.0 404.491577 19.0 405.266357 33.0 406.096161 20.0 407.044647 17.0 408.559052 22.0 416.242218 18.0 417.386383 25.0 422.346497 18.0 427.801086 23.0 441.342133 19.0 446.599945 17.0 446.898804 19.0 467.341461 18.0 467.913025 20.0 475.085999 21.0 494.649231 20.0 540.428833 34.0 550.220703 51.0 550.314819 18.0 551.215271 18.0 557.164368 20.0 563.933594 18.0 573.17572 48.0 574.246033 20.0 607.307068 20.0 635.177307 21.0 650.364624 18.0 651.157288 21.0 652.083618 19.0 652.268005 23.0 655.999451 22.0 683.142395 18.0 694.188232 19.0 711.282166 23.0 711.335327 18.0 736.395142 25.0 762.246155 40.0 779.22113 1587.0 779.506409 17.0 780.221619 374.0 781.223511 230.0 782.240234 66.0 801.208313 57.0 811.81427 20.0 817.175171 183.0 833.163025 45.0 846.14801 21.0 942.336731 37.0 974.293762 20.0 979.528625 18.0 993.232178 18.0 993.752991 20.0 994.764771 25.0 1013.750122 22.0 1027.406006 20.0 1035.698486 18.0 1036.553711 18.0 1040.317139 21.0 1043.246948 17.0 1058.454224 18.0 1060.994995 20.0 1071.461792 20.0 1101.217285 18.0 1102.434937 20.0 1125.404053 20.0 1152.861938 18.0 1169.341064 37.0 1186.609375 22.0 1188.841064 20.0 1192.291992 17.0 1193.304077 22.0 1199.334229 49.0 1199.816162 17.0 END IONS BEGIN IONS SCANS=204 PEPMASS=452.10414 CHARGE=-1 COLLISION_ENERGY=0.0 59.013977 55.0 61.015583 35.0 61.98737 5222.367188 62.043018 20.0 62.103722 18.0 62.166927 18.0 62.294521 29.0 62.572849 18.0 63.102997 18.0 63.994858 17.0 68.843513 18.0 71.013771 18.0 80.55497 18.0 82.835396 24.0 83.011383 19.0 89.023621 193.0 93.032516 23.0 98.846062 18.0 99.048103 75.0 100.047249 25.0 101.026634 111.0 101.964241 18.0 107.048782 22.0 109.028435 25.0 109.065514 18.0 112.049858 22.0 112.417328 19.0 114.172127 18.0 115.037621 21.0 117.034363 18.0 118.018379 20.0 119.036926 71.0 120.038254 45.0 122.030121 24.0 122.682365 17.0 123.036957 19.0 123.04673 39.911907 125.017227 18.0 131.031845 62.0 135.044037 49.0 136.781631 18.0 137.059021 198.0 139.03775 145.0 139.636917 20.0 143.029129 29.0 145.069107 44.0 147.031677 18.0 149.04686 18.0 151.040207 18.0 153.052948 57.0 160.990845 17.0 161.044647 38.0 165.056076 240.0 169.026428 17.0 174.086731 18.0 179.052246 29.0 183.066788 240.0 183.854111 18.0 184.069901 40.0 191.032425 38.0 196.106812 22.0 200.09552 24.0 201.030228 18.0 205.188812 29.0 209.043274 189.0 212.063461 22.0 215.095627 21.0 219.731247 18.0 227.054535 132.0 229.10376 19.0 231.105164 18.0 243.161972 20.0 258.965759 18.0 261.746429 19.0 272.913818 26.0 274.044739 20.0 274.079315 18.0 288.066864 18.0 291.800293 47.0 296.537292 19.0 298.295685 24.0 299.214142 41.0 309.08667 24.0 309.207153 22.0 319.8396 17.0 336.028534 20.0 336.192352 22.0 340.187408 21.0 343.108215 26.0 349.099091 23.0 360.140015 20.0 362.087189 23.0 363.870148 20.0 370.16217 21.0 371.133881 18.0 372.076691 18.0 374.121948 19.0 389.106323 1877.28833 389.166351 37.0 390.112091 243.0 391.111816 102.0 392.665985 27.0 400.193604 22.0 419.49704 17.0 436.075928 17.0 452.10733 21.0 452.590271 22.0 454.205963 17.0 455.234161 18.0 466.091522 17.0 496.818878 18.0 560.593994 27.0 END IONS BEGIN IONS SCANS=205 PEPMASS=817.1808 CHARGE=-1 COLLISION_ENERGY=0.0 50.659313 20.0 52.185993 18.0 57.421242 20.0 59.013786 18.0 68.243217 18.0 80.487762 49.0 84.785065 28.0 86.648209 18.0 89.022316 68.0 99.045982 46.0 101.027344 37.0 109.066673 18.0 119.006386 25.0 119.033524 226.324554 121.034645 21.0 130.76416 18.0 135.764084 19.0 137.058746 167.0 137.654068 21.0 139.037079 58.0 143.03183 18.0 147.04541 69.0 153.063812 22.0 161.041458 18.0 165.057266 145.0 177.027115 18.0 179.058807 98.0 183.065063 297.0 183.236664 17.0 183.79924 34.0 184.073303 60.0 185.003464 22.0 188.260223 45.0 191.047729 28.0 203.634933 18.0 209.045258 279.0 210.046951 88.0 226.714386 18.0 227.054993 466.0 228.058487 18.0 229.057251 18.0 232.707169 28.000002 265.015656 42.0 356.933929 23.0 388.975433 17.0 389.10788 3636.0 390.110352 568.0 390.995453 18.0 391.111237 53.0 393.061646 17.0 394.453827 18.0 395.275726 18.0 400.132599 22.0 427.063965 292.0 428.067444 38.0 465.021759 28.0 503.525757 18.0 619.281982 17.0 781.239197 18.0 805.056763 18.0 815.992798 18.0 816.188843 19.0 817.181213 2985.981689 818.1828 1160.0 818.570435 20.0 818.828064 17.0 819.190613 595.0 820.179077 93.0 820.522034 17.0 821.365234 20.0 END IONS BEGIN IONS SCANS=206 PEPMASS=389.10803 CHARGE=-1 COLLISION_ENERGY=0.0 52.093029 24.0 52.871544 21.0 53.038433 37.0 54.935101 22.0 55.019012 375.0 56.996601 23.0 57.033791 83.0 57.139366 19.0 58.935265 18.0 59.012959 6209.644043 59.074368 33.0 59.122295 20.0 59.174698 20.0 59.238804 26.0 59.380642 23.0 59.451347 17.0 59.99255 17.0 60.016136 155.0 60.232666 21.0 61.018604 59.0 61.457542 19.0 62.700314 17.0 63.193851 18.0 63.648563 23.0 64.002968 20.0 66.570343 20.0 67.019753 18.0 67.082481 18.0 67.958443 26.0 68.050385 20.0 68.995468 21.0 69.033745 312.0 69.064453 19.0 69.152695 17.0 70.020439 28.0 70.486656 18.0 70.964851 17.0 71.01342 6745.195312 71.038506 29.0 71.053223 42.0 71.224579 20.0 71.260582 20.0 71.426743 20.0 71.922943 21.0 72.016037 365.0 72.101433 18.0 72.373077 20.0 73.017433 82.616966 73.029434 298.383026 73.356567 19.0 73.769318 20.0 74.939377 17.0 75.006744 22.0 77.02314 62.0 77.152695 27.0 77.338524 25.0 77.464584 42.0 78.95842 18.0 78.987335 18.0 79.019287 24.0 79.054039 44.0 80.022598 18.0 81.0336 1525.0 81.070091 25.0 81.459869 19.0 81.716934 21.0 82.036469 105.0 83.013016 391.0 83.045677 85.0 83.27832 17.0 83.336136 17.0 83.931709 17.0 84.021988 182.0 84.120468 18.0 84.296631 27.0 84.413055 17.0 85.028755 1725.0 85.145325 17.0 85.17244 21.0 85.726357 20.0 86.031845 82.0 86.253517 18.0 87.009651 247.0 87.169441 22.0 87.866379 23.0 88.011726 51.0 88.54921 20.0 89.023643 12495.276367 89.405945 18.0 89.419273 18.0 89.55349 19.0 89.648651 22.0 89.673828 21.0 90.027084 462.0 90.055527 18.0 90.43576 17.0 90.808662 18.0 91.028549 131.02919 91.055405 333.0 91.249466 18.0 91.813698 35.0 92.02713 18.0 92.107338 25.0 92.930145 18.0 93.00573 24.0 93.033417 820.0 93.067719 18.0 93.430122 28.0 94.03933 19.0 95.012932 514.0 95.049507 372.0 96.016991 15.235526 96.02681 23.0 96.052841 18.0 97.029137 1353.036743 97.542107 18.0 98.034706 43.0 99.00354 74.0 99.013351 41.0 99.044518 5689.147461 99.100754 37.0 99.513008 18.0 99.590248 24.0 99.94677 27.0 100.031097 19.0 100.047882 256.0 100.112793 20.0 100.302101 18.0 100.398216 17.0 101.023575 11344.128906 101.081863 20.0 101.159874 36.0 101.256729 19.0 101.413109 36.0 101.459106 22.0 101.501747 17.0 101.513374 18.0 101.930611 26.0 102.026886 542.0 102.055573 26.0 102.189934 21.0 102.349396 18.0 103.027985 117.680832 103.055878 55.0 104.519127 22.0 104.564095 30.0 105.033478 263.0 105.374069 43.0 106.039864 20.0 106.19873 18.0 107.049759 993.0 107.195854 18.0 108.018585 27.0 108.054062 20.0 108.774422 24.0 109.028694 899.138428 109.065643 1005.0 109.631195 42.0 109.666512 18.0 110.033363 60.0 111.006706 40.0 111.044807 2206.483398 111.577141 20.0 111.629173 28.0 111.690033 36.0 111.702675 18.0 111.993942 52.0 112.051147 117.0 112.078712 19.0 112.354111 21.0 112.863792 18.0 112.952019 24.0 113.023537 6227.033691 113.182747 18.0 113.682617 17.0 114.028893 284.197235 114.05587 20.0 114.34314 22.0 115.027473 18.0 115.041443 37.0 115.842468 18.0 117.033714 26.0 117.318535 17.0 119.03479 8984.500977 119.203323 23.0 119.357933 22.0 120.038498 752.89801 120.058586 98.818275 120.100006 18.0 120.177185 18.0 120.449493 18.0 120.771286 17.0 121.001694 24.0 121.02877 6149.079102 121.065231 437.0 121.542267 29.0 122.034821 817.0 122.069016 20.0 123.044319 708.621094 124.007652 20.0 124.187195 18.0 125.023651 170.0 125.05246 17.0 125.06839 40.0 125.137283 20.0 125.940247 17.0 126.025078 20.0 126.098885 19.0 127.042816 20.0 127.070526 18.0 127.887527 17.0 128.012619 62.0 128.502594 20.0 129.033447 407.0 129.096466 20.0 129.108185 29.0 129.935745 20.0 130.373657 18.0 131.035187 800.0 131.300293 20.0 131.485336 20.0 132.041031 54.0 133.038193 49.0 134.037003 98.0 134.676651 24.0 135.044754 4929.0 135.216782 22.0 135.477875 19.0 135.973892 30.0 136.014725 17.0 136.051376 676.0 136.121445 17.0 136.135529 20.0 136.968765 18.0 137.024887 192.0 137.060211 14815.314453 137.179169 20.0 137.29567 18.0 137.831406 24.0 137.880997 17.0 138.036011 20.0 138.063049 1281.0 138.439651 23.0 138.738098 17.0 138.894302 20.0 138.964859 18.0 139.039398 11304.108398 139.068054 40.0 139.104202 25.0 139.479263 18.0 140.042603 781.0 140.337418 20.0 141.043777 173.0 141.394165 18.0 141.579498 18.0 142.139313 18.0 143.034393 950.257019 143.11824 26.0 144.036163 78.0 144.113403 17.0 144.374924 31.0 144.42775 21.0 144.927979 18.0 145.017303 18.0 145.036789 39.0 145.270706 18.0 146.007431 21.0 146.032837 20.0 146.554993 18.0 146.986771 18.0 147.044617 3901.735107 147.781616 18.0 147.794434 18.0 148.049011 438.0 148.132874 18.0 149.044983 864.0 149.216461 30.0 150.031403 153.33345 151.029205 18.0 153.054535 2617.03125 154.058319 217.845734 154.816162 20.0 155.061584 92.428627 155.075272 26.0 157.963318 17.0 159.030106 60.0 159.592819 18.0 161.044464 1309.0 162.050415 84.0 162.228668 22.0 163.047623 74.0 164.010986 23.0 164.074249 27.0 164.390442 81.0 164.958832 20.0 165.055115 18693.767578 165.175079 37.0 165.352722 18.0 165.777191 18.0 165.829651 18.0 166.014435 20.0 166.058655 1895.416504 166.084808 17.455566 166.315094 18.0 166.702682 22.0 166.889999 19.0 167.058151 113.000008 167.216385 22.0 167.403229 20.0 167.597046 28.0 168.050751 20.0 168.920975 21.0 169.967361 36.0 170.791534 18.0 173.740814 30.0 174.059128 18.0 174.277435 20.0 174.329834 21.0 174.984573 20.0 176.587936 22.0 177.255676 29.0 178.643097 22.0 178.680328 26.0 179.055893 3260.910156 180.032761 40.0 180.058167 239.0 180.41626 21.0 181.036789 37.08049 181.056366 27.301966 181.080185 18.0 181.225128 19.0 181.980194 24.0 182.674057 26.0 182.987701 19.0 183.012238 17.0 183.06601 13876.810547 183.346954 18.0 183.417725 33.0 184.070038 1516.330444 184.271637 18.0 184.742401 20.0 185.044769 45.237534 185.071106 210.762466 185.458633 17.0 185.618896 22.0 185.69165 18.0 187.281891 18.0 189.325256 20.0 190.672729 25.0 191.033447 765.748718 191.586441 18.0 191.614853 18.0 191.702011 18.0 192.038315 159.0 193.088867 18.0 195.070099 20.0 195.966888 20.0 197.962494 79.0 198.077652 19.0 199.237167 18.0 200.476501 18.0 200.905457 18.0 201.317581 17.0 202.929199 46.0 204.08374 29.0 207.004013 20.0 207.264969 22.0 207.984497 19.0 209.045059 13866.467773 209.133057 18.0 210.048141 1949.722412 210.167313 20.0 210.360611 22.0 210.889816 19.0 210.916153 18.0 211.053268 301.528687 211.110397 48.0 211.160309 17.0 211.451126 22.0 213.001953 30.0 214.01651 20.0 214.074295 21.0 214.560425 25.0 215.676041 17.0 215.807449 28.0 218.04509 25.0 219.455887 17.0 220.769302 18.0 223.68248 18.0 223.758453 17.0 225.082016 40.0 227.055603 6689.208984 227.117645 20.0 228.057877 569.452087 228.093475 18.0 229.064362 128.0 229.61853 18.0 230.245712 29.0 233.010284 17.0 233.959534 37.0 236.121307 17.0 237.041595 17.0 238.026184 18.0 238.107407 35.0 239.9673 39.0 243.169434 26.0 244.065292 28.0 248.633743 19.0 249.023987 18.0 256.599548 23.0 263.325012 18.0 265.106171 26.0 266.114105 25.0 269.074188 18.0 284.307281 18.0 301.66452 18.0 305.318451 19.0 307.149567 22.0 307.194885 20.0 311.737152 41.0 316.850861 19.0 317.21756 29.0 318.109833 24.0 322.280762 17.0 323.71701 17.0 327.109589 18.0 334.321533 18.0 343.105621 18.0 367.141235 26.0 371.1008 129.0 372.102203 17.0 374.169128 36.0 375.178101 17.0 383.317261 22.0 383.382996 25.0 383.425018 19.0 384.103943 18.0 384.467651 17.0 386.766327 18.0 387.084991 18.0 387.722717 18.0 388.085236 19.0 388.279572 19.0 388.722748 30.0 388.953827 27.0 389.107971 33051.0 389.199432 600.0 389.326843 18.0 389.427979 18.0 389.795441 26.0 389.954254 17.0 390.111969 7076.0 390.187195 18.0 390.360748 18.0 390.415283 18.0 390.521057 18.0 390.861755 18.0 390.931976 18.0 391.112457 1581.265503 391.1698 18.0 391.675934 20.0 391.86496 18.0 392.115906 251.0 393.119568 26.0 394.517578 20.0 395.950714 18.0 397.315948 19.0 399.792023 18.0 417.074249 20.0 438.903503 17.0 439.888702 18.0 492.685028 20.0 510.55954 26.0 513.359436 22.0 564.27655 18.0 609.337158 18.0 651.164246 20.0 660.598816 26.0 687.762329 29.0 710.444641 20.0 716.607239 17.0 732.88446 18.0 775.820923 20.0 779.222351 136.0 780.245972 35.0 801.208435 20.0 817.182007 21.0 830.159668 18.0 833.117859 24.0 962.525696 21.0 983.271973 67.0 985.309814 17.0 1015.107666 18.0 1030.373169 18.0 1046.53479 31.0 1054.758179 28.0 1063.92395 32.0 1102.293579 18.0 1124.445557 19.0 1152.553833 18.0 1160.908447 18.0 1169.359985 18.0 1188.306885 20.0 1195.286865 18.0 END IONS BEGIN IONS SCANS=207 PEPMASS=569.17155 CHARGE=-1 COLLISION_ENERGY=0.0 56.156002 21.0 57.033382 21.0 59.013134 579.0 61.444767 20.0 69.037064 18.0 71.012764 828.0 72.01709 20.0 81.030899 102.0 83.012733 51.0 85.027855 39.0 85.617325 26.0 87.010216 81.0 88.01001 18.0 89.023102 1539.855225 89.785805 20.0 90.027618 20.0 91.05452 20.0 93.033493 86.0 95.009743 20.0 95.050255 64.0 97.029465 118.0 97.549057 18.0 98.881111 26.0 99.044174 562.0 101.024323 1301.877686 101.053062 20.0 101.089516 20.0 102.025681 63.0 103.023682 18.0 105.029144 18.0 107.048981 123.0 109.030907 89.0 109.064056 111.0 109.67942 20.0 110.031143 18.0 111.044365 191.0 112.047951 25.0 113.024826 685.361389 114.026634 104.0 116.11647 17.0 119.034271 1336.241577 120.037399 62.0 121.029526 563.967529 121.315445 28.0 122.032684 58.0 123.046257 50.0 124.019341 17.0 125.021599 41.0 125.541344 29.0 129.01564 19.0 131.033096 22.0 132.035049 18.0 134.038727 24.0 135.043961 429.0 135.929504 18.0 136.04567 57.0 137.060211 2163.0 138.034256 17.0 138.06282 197.0 139.040512 1178.0 139.073593 55.0 139.116837 42.0 140.039536 53.0 143.034164 148.0 144.042221 22.0 144.354095 28.0 145.040298 20.0 147.045547 275.0 148.039627 27.0 149.044479 181.0 153.054688 337.0 154.056686 18.0 154.941254 20.0 159.031342 32.0 161.044907 314.0 162.048798 20.0 164.849594 18.0 165.055084 2880.688721 165.258438 68.0 166.060043 260.0 166.361816 18.0 166.938171 18.0 171.043396 20.0 175.02829 21.0 178.53476 17.0 179.056122 917.0 180.031326 34.0 180.057419 37.0 180.416504 29.0 181.01442 18.0 181.057495 18.0 182.789322 23.0 183.019623 39.0 183.064987 3113.921631 184.068268 328.0 185.076385 93.0 185.804245 17.0 186.867188 22.0 187.955444 22.0 191.033188 342.374359 202.032425 17.0 206.616684 22.0 208.630783 30.999998 209.044495 3375.0 209.576218 18.0 210.047058 375.0 211.04599 109.0 215.436462 26.0 223.756912 18.0 226.955948 17.0 226.972137 26.0 227.055511 1893.0 227.417664 19.0 228.058701 223.0 229.065018 78.0 230.066284 18.0 231.100708 18.0 235.444366 28.0 237.078751 19.0 256.913116 24.0 287.349792 51.0 324.459473 19.0 324.615204 33.0 331.523041 22.0 333.842621 24.0 362.861115 23.0 370.193146 18.0 371.096344 42.0 373.860809 26.0 377.92691 40.0 389.107635 28053.921875 389.172607 18.0 389.874329 18.0 389.980164 18.0 390.111664 5717.071777 390.233398 23.0 390.28479 18.0 390.36441 20.0 390.468689 18.0 390.511841 19.0 391.11438 1143.552246 392.102905 53.0 392.830627 18.0 394.29425 22.0 396.180054 19.0 399.431183 19.0 409.053925 28.0 413.593079 18.0 453.013489 30.0 453.28067 23.0 464.40213 20.0 471.252991 25.0 478.000854 17.0 480.224121 18.0 490.218536 25.0 529.298645 29.0 561.182556 27.0 571.125183 22.0 722.514038 20.0 795.612549 23.0 1058.581665 20.0 1068.49646 23.0 1074.703857 17.0 END IONS BEGIN IONS SCANS=208 PEPMASS=367.10478 CHARGE=0 COLLISION_ENERGY=0.0 50.075714 20.0 50.491806 22.0 52.472992 29.0 52.909321 24.0 53.60957 24.0 54.51339 18.0 55.016285 18.0 55.685577 17.0 56.554539 20.0 56.816662 25.0 58.850166 23.0 59.010342 20.298935 59.016342 44.639164 59.178143 24.0 60.014545 23.0 60.650177 18.0 60.743565 18.0 61.007812 18.0 61.453358 18.0 62.153004 18.0 62.17342 20.0 62.324467 20.0 64.147667 21.0 64.269257 20.0 66.47963 21.0 66.758713 17.0 66.953476 21.0 67.756088 20.0 69.392532 19.0 70.181107 19.0 70.222496 25.0 71.013634 261.0 71.788757 17.0 73.025902 17.0 75.555023 18.0 77.093376 18.0 77.341835 23.0 79.967232 29.0 80.44342 24.0 83.01223 19.0 84.400414 25.0 84.628586 22.0 85.012321 17.0 85.028282 92.0 85.293854 20.0 85.349892 19.0 85.783249 26.0 87.023857 20.0 87.0466 21.0 87.914948 18.0 88.170471 22.0 88.636169 21.0 89.022858 191.0 92.090286 17.0 95.007523 18.0 97.027588 47.0 98.369156 22.0 98.394058 17.0 99.044907 17.0 99.510262 18.0 100.680679 26.0 101.005699 19.0 101.020714 22.0 102.024063 24.0 102.44738 21.0 103.003952 17.0 105.520248 17.0 106.286522 20.0 108.477028 22.0 111.025368 17.0 111.963814 23.0 112.987183 26.0 113.023041 468.0 113.354179 18.0 113.370926 24.0 113.750336 24.756918 113.761429 24.243082 114.023506 147.0 114.085732 23.0 115.019638 648.0 115.131271 18.0 115.41053 20.0 116.034904 18.0 116.050018 20.0 116.107712 25.0 116.926056 34.0 119.034721 18.0 119.727036 24.0 121.031593 18.0 123.004227 18.0 123.042259 25.0 125.022583 141.0 127.02224 20.0 127.043556 40.0 127.24128 20.0 130.088516 149.938873 130.60585 19.0 133.032532 40.0 137.057678 18.0 141.066422 88.0 142.261215 20.0 143.120392 46.0 144.03186 18.0 144.044495 18.0 145.025024 60.0 145.4505 20.0 149.096146 17.0 149.125061 24.0 150.771011 18.0 150.914246 20.0 152.066864 22.0 154.093781 40.0 154.197021 28.0 156.032211 40.0 157.029953 519.0 157.485825 31.999998 158.034271 48.0 161.042145 56.658901 165.056778 18.0 165.604645 24.0 168.034958 39.0 169.031113 341.0 170.039154 47.0 171.011398 28.0 177.037399 29.0 179.037994 23.0 179.052551 36.0 179.719574 18.0 182.34137 19.0 183.065125 36.0 185.056427 147.0 186.046829 239.0 186.078598 27.0 186.112549 21.0 187.040405 1472.0 187.107956 608.0 188.041321 101.0 188.106583 20.0 189.131119 25.0 189.260529 22.0 190.519745 24.0 191.040131 42.0 193.884872 21.0 195.742035 17.0 198.402771 22.0 199.016373 19.0 199.038849 18.0 202.049896 75.0 204.060867 18.0 205.055023 644.953796 205.711731 17.0 206.054733 37.0 207.024475 20.0 207.929443 19.0 209.04126 36.0 211.065872 18.0 211.133514 22.0 212.518066 24.0 212.857025 17.0 214.417099 29.0 217.04805 34.0 218.052887 20.0 222.017075 53.0 224.765076 26.0 225.957428 20.0 227.054733 63.0 231.580139 20.0 238.739731 18.0 240.033905 25.0 240.708206 58.0 240.880142 22.0 247.066742 24.0 253.244736 17.0 254.199402 18.0 255.076935 18.0 258.047852 18.0 259.065002 20.0 259.094452 24.0 271.927673 24.0 273.00531 19.0 273.058411 21.0 276.077698 398.0 276.394257 18.0 277.073151 1890.0 278.073517 149.0 278.11557 18.0 279.072998 122.0 280.737701 17.0 281.009186 23.0 281.276398 18.0 291.109833 18.0 299.14978 23.0 307.081604 46.0 311.847046 18.0 321.1875 20.0 322.039734 19.0 326.217499 19.0 328.903473 18.0 331.069061 19.0 335.476624 32.0 336.090973 21.0 337.09375 18.0 340.947327 17.0 350.757507 20.0 355.222351 20.0 366.107605 399.0 367.104645 2723.0 368.042664 20.0 368.108246 299.191742 368.170319 20.0 369.030334 18.0 369.125366 54.0 369.221802 17.0 389.10849 1080.0 390.110565 213.0 390.558838 21.0 391.112732 93.0 392.115845 22.0 397.21524 36.0 398.071075 20.0 427.075043 18.0 442.351715 20.0 450.491913 20.0 469.100494 22.0 469.31604 22.0 482.212341 23.0 506.570526 19.0 509.071533 18.0 512.929504 21.0 525.143616 17.0 532.017334 19.0 543.109863 19.0 544.228638 20.0 550.21936 20.0 551.21106 19.0 559.093811 18.0 569.628845 19.0 577.143921 20.0 586.215515 24.0 605.151794 19.0 619.109192 44.0 665.041077 34.0 672.181824 20.0 693.205627 19.0 715.47406 18.0 779.230408 390.0 779.374207 20.0 780.224365 124.0 781.234558 38.0 801.209351 18.0 809.739624 20.0 817.192688 87.0 818.193054 23.0 819.162415 18.0 850.256653 23.000002 851.830322 17.0 962.312683 18.0 962.360168 17.0 979.2948 47.0 983.295105 23.0 984.287781 18.0 1007.512817 19.0 1012.233337 35.0 1015.738403 19.999998 1051.284424 18.0 1065.203125 21.0 1066.328735 20.0 1074.534424 22.0 1093.812134 18.0 1103.427612 18.0 1127.755737 18.0 1165.364624 22.0 1170.320557 29.000002 1175.44104 17.0 1188.325806 39.0 1188.822876 20.0 END IONS BEGIN IONS SCANS=209 PEPMASS=432.09905 CHARGE=-1 COLLISION_ENERGY=0.0 53.590954 23.0 54.153477 18.0 56.161732 19.0 56.673569 22.0 59.299103 27.0 61.987473 11993.0 62.205933 18.0 62.23304 17.0 62.291245 30.0 62.310829 25.0 62.335503 24.0 62.370495 20.0 62.760342 18.0 62.969048 18.0 62.984497 19.0 62.991634 20.0 63.051991 22.0 63.372509 20.0 63.917557 20.0 63.992378 112.0 64.158546 22.0 64.483795 21.0 64.754738 17.0 65.790184 17.0 66.64579 18.0 68.20462 17.0 68.334076 20.0 68.60936 22.0 73.052994 28.0 75.130402 22.0 75.972046 24.0 76.527817 23.0 78.169205 20.0 78.273216 25.0 82.074028 18.0 86.193352 18.0 89.022926 18.0 95.915131 18.0 98.376709 17.0 99.536079 17.0 102.818466 22.0 102.929138 27.0 102.957901 17.0 105.25695 17.0 107.671165 18.0 110.174568 18.0 111.331345 18.0 112.083832 18.0 112.266937 22.0 114.024734 17.0 115.37056 21.0 116.07103 17.0 121.601189 18.0 123.573151 28.0 124.989799 17.0 125.131416 21.0 129.453125 18.0 136.479568 23.0 136.937317 18.0 137.074387 18.0 141.195496 17.0 143.033875 88.0 144.782471 22.0 144.875519 17.0 146.972183 18.0 149.121414 18.0 150.095581 17.0 155.493698 18.0 155.909195 20.0 157.926544 20.0 161.045151 36.0 161.298187 30.0 162.947128 18.0 163.002991 17.0 164.889496 31.000002 166.024811 33.0 166.607788 24.0 170.02742 26.0 177.403244 19.0 178.102615 20.0 179.052872 37.0 181.491623 22.0 184.498978 20.0 185.193176 20.0 192.57132 20.0 207.137436 18.0 213.70578 20.0 221.055267 37.0 228.148849 18.0 228.241623 21.0 230.657669 17.0 234.517593 25.0 238.265182 22.0 238.927689 23.0 241.888184 18.0 245.143539 29.0 246.585068 18.0 246.908478 18.0 247.007172 18.0 249.060776 17.0 252.542191 23.0 264.159302 18.0 264.256561 18.0 269.983398 28.0 271.069763 18.0 272.822998 18.0 312.72821 17.0 320.230896 21.0 329.135071 27.0 332.438049 18.0 333.931641 17.0 340.235413 18.0 361.307281 18.0 375.629059 22.0 381.296265 18.0 391.531403 18.0 405.074646 45.0 421.300568 18.0 432.097351 2247.0 433.100983 305.0 434.104736 163.0 438.524567 18.0 444.715179 52.0 469.393738 18.0 500.446625 20.0 520.077576 18.0 538.875366 21.0 553.659546 21.0 558.303894 18.0 592.927429 24.000002 741.206543 23.0 917.03949 41.0 943.917542 18.0 952.076843 18.0 1014.104919 19.0 1051.077026 20.0 1053.68396 18.0 1073.391968 17.0 1104.181396 24.0 1106.002686 22.0 1162.347656 17.0 END IONS BEGIN IONS SCANS=210 PEPMASS=116.07132 CHARGE=0 COLLISION_ENERGY=0.0 51.10125 18.0 52.045448 26.0 54.146534 40.0 58.676147 18.0 60.129074 20.0 60.440044 18.0 63.815704 20.0 64.320549 18.0 64.646965 23.0 65.717758 18.0 69.212837 18.0 69.427818 19.0 70.123703 24.0 71.086189 19.0 71.529411 19.0 75.437164 17.0 75.761871 26.0 76.761749 18.0 79.01561 18.0 79.722092 20.0 80.211693 18.0 81.240479 18.0 81.491745 23.0 83.514694 22.0 85.853226 23.0 86.688965 17.0 88.171227 18.0 88.273308 20.0 90.016701 22.0 92.726723 21.0 95.261032 18.0 96.81385 22.0 97.933128 19.0 99.927269 114.0 103.946068 22.0 109.617744 23.0 111.702385 19.0 112.061241 18.0 114.717224 23.0 115.349609 20.0 115.920807 60.0 116.071182 1735.0 116.272171 17.0 116.316536 18.0 116.928284 121.0 117.013519 17.0 117.076363 82.0 118.077003 37.0 118.370728 27.0 121.316544 21.0 130.608826 17.0 131.835541 19.0 139.241745 18.0 141.319092 20.0 141.689484 29.0 142.962265 17.0 145.079514 19.0 146.963943 22.0 149.763275 24.0 149.921524 25.0 150.131973 18.0 150.658783 18.0 153.016663 18.0 160.849472 35.0 161.766159 18.0 161.873611 18.0 169.909546 18.0 170.013535 20.0 173.938599 18.0 175.709641 17.0 177.150146 17.0 177.512329 21.0 181.973251 18.0 184.238449 31.000002 184.956284 25.0 189.275497 19.0 191.692093 23.0 191.786102 20.0 194.38446 32.0 199.547729 20.0 214.87323 18.0 215.04335 18.0 216.457565 17.0 216.993759 24.0 217.446793 19.0 220.079987 26.0 220.891617 18.0 221.077316 18.0 232.92981 19.0 235.477615 24.0 236.50943 40.0 236.557068 48.0 240.786835 19.0 240.972839 29.0 241.144653 20.0 246.281693 20.0 248.84465 19.0 253.673721 18.0 259.643707 17.0 261.737976 24.0 266.483215 21.0 267.450134 29.0 273.184998 18.0 275.848846 18.0 276.652283 18.0 284.830566 18.0 287.613617 20.0 288.096802 20.0 292.514771 24.0 300.052063 24.0 310.931213 19.0 315.795441 18.0 319.505463 19.0 334.873993 18.0 338.212311 23.0 345.493683 17.0 355.271484 19.0 362.64267 17.0 363.368683 18.0 364.502197 17.0 366.116333 25.0 380.172882 18.0 390.728912 18.0 415.437531 18.0 440.134521 18.0 441.939667 29.0 446.482208 33.0 454.974091 43.0 460.283813 33.0 480.270935 18.0 506.107727 18.0 511.574615 21.0 512.784363 21.0 554.267212 22.0 574.352722 19.0 605.596741 19.0 627.100037 20.0 634.831055 18.0 642.712952 25.0 645.593628 17.0 658.289673 18.0 664.127136 18.0 674.667236 18.0 708.23645 21.0 714.39856 26.0 725.826172 17.0 751.010071 18.0 868.721619 18.0 878.523438 27.0 1089.352905 19.0 1147.394409 17.0 1185.30542 23.0 END IONS BEGIN IONS SCANS=211 PEPMASS=217.08229 CHARGE=0 COLLISION_ENERGY=0.0 54.255566 31.0 55.542103 50.0 58.028919 21.0 60.800476 20.0 61.987957 54.0 63.655518 18.0 64.098671 22.0 65.571175 18.0 67.180275 18.0 69.146797 33.0 69.201927 17.0 71.014748 59.0 71.037178 20.0 72.043617 24.0 72.059662 23.0 74.220306 18.0 75.807213 21.0 76.311646 18.0 78.338402 17.0 82.027512 109.0 83.062202 92.0 83.624054 20.0 84.044449 322.0 84.357727 27.0 85.024345 19.0 85.047722 17.0 85.998749 23.0 86.048569 20.0 86.531464 60.0 86.979691 18.0 87.899246 17.0 88.040611 218.577682 88.773476 18.0 89.257103 21.0 90.559532 18.0 91.723892 20.0 92.682182 30.0 95.595596 22.0 96.613846 33.0 97.221199 21.0 97.66256 18.0 97.914917 31.0 98.309799 28.0 99.055603 18.0 101.022873 21.0 101.071777 1114.0 102.069427 17.0 102.079453 22.0 102.515732 18.0 103.035721 40.0 103.30265 30.0 103.354034 17.0 105.021301 28.0 105.549248 30.0 106.858994 19.0 107.894623 17.0 109.687309 18.0 110.029297 17.0 110.234047 22.0 111.005478 18.0 111.057053 184.0 111.400558 19.0 112.042023 42.0 114.058235 48.0 117.389275 18.0 121.051491 20.0 124.262047 18.0 124.384712 19.0 124.888863 20.0 125.111488 21.0 127.049767 255.0 127.820992 18.0 128.033112 491.0 128.343048 18.0 128.931046 18.0 128.955063 18.0 129.038589 56.0 129.070267 62.0 130.042603 18.0 130.098999 18.0 131.367249 22.0 132.879807 25.0 133.012985 21.0 134.018051 17.0 134.266693 17.0 134.974792 31.0 136.964493 17.0 137.02623 60.0 137.071304 36.0 140.076035 20.0 145.061432 41.0 150.21312 20.0 151.804398 29.0 153.983551 65.0 155.032959 18.0 155.083908 344.0 159.541168 21.0 159.700043 28.0 160.892288 24.0 161.044647 33.0 163.548752 18.0 164.013458 20.0 164.493454 19.0 170.043182 17.0 171.052536 20.0 173.092712 274.0 173.624207 26.0 174.090912 20.0 175.284027 26.0 176.493683 17.0 178.46553 18.0 179.52327 17.0 181.125381 20.0 181.96376 18.0 182.935379 19.0 185.581635 19.0 186.122345 24.0 190.541214 25.0 193.015228 35.0 193.083237 18.0 193.718002 45.0 199.022598 41.0 199.072098 446.0 200.075775 83.0 200.997238 59.0 201.157379 24.0 205.794464 32.0 206.349915 18.0 208.652695 22.0 213.413162 25.0 215.570129 24.0 217.013184 18.0 217.034821 22.0 217.08223 916.0 217.971146 17.0 218.07988 130.0 218.423477 21.0 219.084839 24.0 222.003906 20.0 222.080963 17.0 222.73671 34.0 224.614868 37.0 226.205338 24.0 230.715424 19.0 233.086014 18.0 244.065796 18.0 245.097824 19.0 245.89296 27.0 252.957916 19.0 258.536957 17.0 263.371033 17.0 263.547913 17.0 268.142578 18.0 268.941315 19.0 299.581635 27.0 300.891907 21.0 305.557648 21.0 313.80835 18.0 316.566315 23.0 326.869293 18.0 328.609131 18.0 331.177063 18.0 335.653717 18.0 362.696442 22.0 367.622131 18.0 370.145386 18.0 377.440308 18.0 384.880188 25.0 385.744568 20.0 388.345215 18.0 392.392944 18.0 396.615784 25.0 398.520111 18.0 405.471436 18.0 409.77832 20.0 426.705505 18.0 432.112244 61.0 440.39624 18.0 448.453461 19.0 472.333069 21.0 478.49884 17.0 481.18988 20.0 485.183441 17.0 489.637177 38.0 492.302673 25.0 504.177094 30.0 542.256775 20.0 548.963196 22.0 551.233704 17.0 568.114563 27.000002 614.543945 18.0 631.436279 24.999998 678.337097 26.0 701.162415 18.0 713.366882 20.0 739.299316 18.0 749.522095 18.0 884.241699 21.0 904.723755 20.0 972.351013 27.0 1010.320007 18.0 1121.488037 35.000004 1149.272705 18.0 1173.62439 21.0 END IONS BEGIN IONS SCANS=212 PEPMASS=129.01874 CHARGE=0 COLLISION_ENERGY=0.0 59.517643 44.0 59.875885 19.0 61.447292 18.0 62.578907 18.0 62.665741 20.0 62.904877 20.0 67.808891 65.0 70.821739 18.0 71.89325 24.0 74.77179 46.0 85.029839 528.0 91.952034 20.0 92.61145 20.0 96.121796 18.0 101.251106 18.0 107.034599 21.0 111.005974 21.0 119.667137 22.0 129.016617 152.0 133.009384 17.0 134.331802 29.0 135.372528 22.0 137.111053 22.0 140.968109 18.0 146.968124 86.0 162.940018 17.0 163.783264 18.0 173.413513 22.0 186.31134 18.0 196.396713 18.0 199.472412 18.0 211.318832 22.0 213.321823 20.0 222.618576 18.0 226.132202 20.0 231.94165 20.0 232.756088 23.0 237.616989 24.0 250.972565 20.0 265.093231 18.0 270.86557 18.0 272.062561 18.0 272.755402 40.0 293.807007 18.0 302.503235 20.0 309.761841 48.0 318.906677 18.0 342.894257 20.0 346.694397 18.0 358.121429 28.0 366.470062 18.0 383.198517 24.0 391.060089 18.0 416.401794 22.0 433.213287 17.0 441.190399 18.0 443.498962 18.0 466.156189 20.0 478.035217 18.0 483.658905 17.0 509.218506 37.0 531.966309 20.0 584.774841 32.0 658.862671 30.999998 719.042908 18.0 749.255737 18.0 798.357727 18.0 821.864807 18.0 901.376282 20.0 903.983582 20.0 918.143372 17.0 936.94165 18.0 954.229309 25.0 1023.925354 17.0 1083.928345 20.0 1091.780029 18.0 1137.128052 18.0 1170.867798 17.0 1180.874512 18.0 END IONS BEGIN IONS SCANS=213 PEPMASS=194.99623 CHARGE=0 COLLISION_ENERGY=0.0 52.032578 39.0 52.72805 21.0 53.381474 18.0 55.139614 18.0 56.346405 19.0 57.033749 19.0 57.202152 18.0 59.388565 20.0 60.518032 18.0 60.786102 24.0 61.988377 21.0 63.602413 18.0 65.433289 19.0 66.936142 18.0 67.935776 20.0 69.590912 18.0 70.142723 17.0 71.648849 31.0 73.635864 20.0 75.009796 34.0 75.34549 21.0 78.180511 19.0 79.335037 18.0 79.956009 56.0 80.288994 34.0 80.964691 1578.479004 81.447647 25.0 81.743362 22.0 81.776703 22.0 81.969841 67.737633 82.101646 18.0 82.960091 109.0 87.043907 19.0 89.01976 27.0 90.9235 20.0 94.288155 21.0 96.019974 17.0 98.836723 20.0 103.917946 18.0 105.250969 22.0 108.042007 21.0 114.055855 140.0 116.176857 18.0 120.998192 40.0 125.165909 19.0 126.630295 20.0 134.960938 20.0 135.016052 54.0 135.232834 23.0 136.251526 28.0 137.354462 20.0 139.052338 27.0 139.069794 21.0 142.370972 22.0 144.065826 18.0 146.081848 25.0 146.969009 92.0 149.495834 27.0 151.007736 60.0 151.074707 18.0 152.446304 25.0 153.106888 29.0 158.854904 18.0 159.889206 27.0 169.962769 20.0 173.65712 17.0 176.88826 18.0 179.035553 18.0 181.004959 20.0 182.344589 34.0 182.376801 18.0 183.003723 18.0 184.657074 20.0 185.686218 20.0 188.286804 20.0 194.996536 717.752197 195.379059 18.0 195.998947 55.0 196.032776 31.0 196.538574 20.0 196.761353 20.0 196.989319 43.0 197.749664 22.0 199.740677 18.0 206.986618 30.0 208.878235 18.0 219.022766 21.0 235.164169 17.0 244.351624 22.0 258.410706 20.0 266.316742 17.0 268.004791 20.0 280.199707 18.0 282.081909 21.0 311.110535 22.0 315.75946 24.0 321.945679 17.0 321.998535 25.0 330.026703 22.0 334.690063 17.0 336.715485 17.0 344.194946 18.0 370.912598 18.0 385.10733 20.0 386.094849 22.0 391.716644 82.0 394.058319 28.0 405.539886 17.0 407.591522 17.0 423.051788 27.0 426.872528 20.0 429.051086 22.0 432.100464 37.0 439.020966 17.0 508.660004 18.0 535.9552 18.0 544.308716 18.0 561.27948 23.0 568.30188 22.0 569.126892 20.0 580.765503 17.0 679.043457 26.0 681.973877 18.0 709.891846 21.0 718.77533 22.0 771.118774 21.0 797.485779 21.0 816.655884 18.0 817.165649 25.0 823.393372 28.0 831.092102 18.0 848.184753 30.0 881.842224 22.0 900.039368 18.0 901.058044 20.0 934.835083 18.0 970.83197 22.0 972.066101 19.0 990.164734 22.0 1021.251648 20.0 1066.957275 18.0 1137.182617 19.0 1137.446777 20.0 1139.912476 20.0 1140.255371 49.0 1143.129761 60.0 1195.68811 22.0 END IONS BEGIN IONS SCANS=214 PEPMASS=114.05556 CHARGE=0 COLLISION_ENERGY=0.0 50.191708 20.0 55.536018 19.0 55.933212 23.0 63.996262 20.0 67.192551 20.0 70.169197 27.0 73.027481 20.0 74.597855 29.0 74.721252 18.0 75.191383 18.0 76.670013 20.0 78.894691 17.0 80.462639 20.0 82.82605 49.0 83.146729 26.0 86.022873 54.0 86.684875 18.0 87.95118 20.0 91.703568 37.0 97.009323 17.0 99.922836 72.0 102.395493 20.0 110.694511 34.0 112.040031 62.0 113.017342 18.0 114.055397 5881.174805 114.842827 18.0 115.059181 321.0 115.917709 70.0 116.064308 180.0 116.927734 126.0 117.018372 37.0 117.925514 38.0 120.825714 17.0 125.866066 19.0 146.965515 20.0 153.066818 49.0 153.304947 18.0 156.459869 20.0 164.232315 20.0 166.110046 30.0 172.155426 18.0 181.567657 20.0 182.286774 18.0 189.080887 21.0 192.507904 20.0 196.887909 27.0 202.608734 22.0 202.663773 17.0 207.080597 20.0 208.707428 20.0 214.882706 37.0 227.502747 24.0 241.873184 23.0 253.200241 24.0 258.956543 18.0 259.257782 28.0 286.15799 18.0 291.057373 20.0 295.224426 17.0 298.999359 20.0 300.125916 29.0 301.269562 20.0 322.077118 18.0 332.048401 20.0 332.088776 18.0 342.508453 19.0 350.12207 26.0 355.226166 22.0 355.448486 24.0 361.663879 24.0 365.083221 20.0 405.192261 26.0 420.114319 18.0 432.096252 22.0 434.125122 18.0 441.949066 85.0 529.757446 18.0 552.200012 18.0 610.324585 28.0 651.151489 17.0 651.991272 20.0 693.148193 21.0 758.900696 18.0 822.053406 17.0 832.11792 20.0 1010.86499 18.0 1065.152344 18.0 END IONS BEGIN IONS SCANS=215 PEPMASS=210.08781 CHARGE=0 COLLISION_ENERGY=0.0 50.896557 22.0 50.973255 22.0 54.375328 21.0 55.418919 22.0 55.685715 17.0 55.735218 43.0 55.753551 23.0 56.108067 20.0 61.986492 19.0 69.031754 20.0 72.045654 75.0 72.617676 17.0 73.028503 100.0 73.047249 19.0 73.506744 18.0 74.020699 18.0 78.033653 21.0 79.480202 17.0 80.037453 50.0 80.089355 20.0 80.443604 17.0 80.904228 20.0 81.04493 131.0 82.052742 26.0 93.032181 42.07077 93.044357 109.92923 95.713448 18.0 102.144089 18.0 105.032814 35.0 107.471619 18.0 110.071625 2262.969482 111.074364 53.0 112.040863 98.0 113.027893 18.0 113.039833 18.0 114.053131 22.0 118.041367 26.0 120.897346 51.0 120.960045 18.0 124.035469 18.0 128.348068 18.0 134.724792 42.0 135.341263 23.0 137.0336 105.999992 141.059921 20.0 143.048782 26.0 146.963379 17.0 148.088974 297.0 148.431122 18.0 148.891846 27.0 149.091888 32.0 151.078323 18.0 153.449539 22.0 154.062744 1157.0 155.066681 46.0 157.240402 23.0 159.89241 18.0 161.040604 20.0 162.996445 18.0 163.364029 24.0 164.088562 28.0 165.059174 17.0 166.050156 23.0 166.097382 95.0 166.605896 20.0 168.17981 18.0 169.095413 48.0 174.559433 22.0 174.967117 18.0 175.517517 27.0 176.049179 40.0 181.961884 31.0 183.069519 37.0 192.071503 21.0 193.047852 17.0 196.558701 22.0 197.131439 18.0 201.905212 18.0 209.945557 19.0 210.087204 815.0 211.093124 61.0 212.099274 26.0 213.051025 40.0 218.280106 61.0 223.571793 20.0 233.564575 18.0 233.791672 18.0 237.600677 29.0 239.920288 20.0 251.399307 20.0 261.140411 20.0 269.673767 18.0 272.264679 20.0 273.072174 24.0 283.07431 29.0 284.08847 18.0 301.983337 18.0 302.027924 18.0 305.966064 32.0 308.605072 18.0 311.654816 18.0 317.14917 26.0 320.334991 18.0 332.894348 20.0 335.9935 22.0 368.127655 17.0 369.673523 20.0 372.064423 24.0 373.047852 26.0 386.391144 23.0 397.115265 18.0 412.229584 18.0 423.121063 20.0 425.595032 20.0 432.096161 18.0 438.249664 19.0 463.652802 18.0 469.055878 19.0 477.65213 20.0 490.119659 18.0 501.020874 18.0 507.774597 18.0 535.854187 21.0 552.975281 24.0 561.732056 24.0 574.26062 17.0 622.770752 18.0 699.624695 17.0 712.231201 21.0 733.21405 19.0 771.248962 29.0 818.371826 18.0 834.40033 55.0 898.287048 17.0 962.482788 21.0 1019.525818 26.0 1039.266235 18.0 1109.208862 21.0 1118.932861 18.0 1180.957764 20.0 1187.994141 42.0 END IONS BEGIN IONS SCANS=216 PEPMASS=468.11039 CHARGE=-1 COLLISION_ENERGY=0.0 55.072796 17.0 55.738972 18.0 57.43174 18.0 57.717564 18.0 58.47031 17.0 59.013264 18.0 61.930809 42.0 61.987804 1505.0 62.266373 23.0 62.515137 20.0 62.993141 64.0 63.994507 27.0 65.12149 18.0 66.251442 40.0 66.966614 25.0 67.263145 17.0 69.471626 24.0 70.493935 20.0 73.415558 18.0 83.370163 18.0 85.388947 19.0 85.494217 19.0 87.695145 19.0 87.927704 20.0 92.847313 18.0 96.961784 18.0 107.208092 46.0 107.888008 25.0 108.855614 21.0 109.698257 17.0 111.020439 82.0 111.293259 20.0 111.384308 18.0 113.000916 21.0 113.977707 18.0 114.949501 22.0 134.516571 21.0 137.089264 24.0 140.605133 22.0 145.053513 18.0 146.961441 42.0 147.104736 25.0 148.963394 17.0 149.129669 18.0 149.727829 22.0 149.741211 18.0 152.027008 20.0 160.855103 18.0 164.047684 17.0 170.068039 19.0 172.540115 20.0 175.84079 22.0 184.275513 40.0 188.390533 18.0 191.940445 18.0 194.911346 22.0 201.649704 18.0 206.020477 28.0 215.393265 18.0 215.994095 39.0 220.49231 20.0 241.891464 19.0 243.873886 20.0 248.979446 20.0 250.17186 18.0 250.903687 17.0 252.922394 26.0 255.901993 32.0 256.869141 18.0 260.542389 18.0 261.098633 21.0 268.055573 19.0 271.15387 17.0 273.686707 20.0 285.791351 18.0 293.17981 21.0 295.824066 17.0 306.990814 19.0 308.997772 22.0 314.068268 17.0 330.191833 17.0 340.235626 18.0 343.112061 27.0 346.882904 18.0 349.164886 18.0 369.998077 18.0 395.813568 18.0 404.455261 33.0 405.121216 65.0 406.115875 19.0 408.437164 27.0 412.747986 17.0 432.081299 23.0 466.98288 18.0 467.18634 18.0 467.728577 17.0 468.111847 363.0 469.108459 104.0 470.110138 35.0 471.53183 18.0 495.677338 40.0 504.589233 18.0 511.123047 25.0 511.369049 18.0 518.980103 18.0 523.970459 18.0 530.249634 20.0 542.408875 26.0 551.179993 24.0 565.048401 18.0 566.253662 18.0 583.770325 20.0 651.497375 30.0 677.521912 19.0 678.523804 20.0 726.765015 18.0 763.219543 17.0 787.918762 18.0 795.404419 24.0 865.931824 18.0 894.997009 33.0 950.216309 25.0 1046.9646 23.0 1052.393433 20.0 1088.86853 28.0 1161.523926 18.0 1170.580933 20.0 1170.772705 31.0 END IONS BEGIN IONS SCANS=217 PEPMASS=432.09895 CHARGE=0 COLLISION_ENERGY=0.0 51.934429 21.0 56.300934 20.0 57.396152 18.0 60.755859 22.0 61.987782 1969.762817 62.429317 18.0 62.984039 18.0 63.988579 22.0 67.173416 24.0 67.388039 20.0 68.027016 19.0 73.029007 17.0 78.645851 20.0 79.953163 18.0 80.884544 22.0 82.767685 19.0 85.176323 18.0 85.713234 18.0 89.025238 17.0 90.837898 20.0 93.904938 22.0 94.254898 21.0 95.621948 20.0 98.318512 20.0 99.04483 17.0 106.381332 20.0 112.983368 18.0 113.853973 18.0 114.051552 18.0 114.25103 18.0 114.76342 29.0 117.47258 20.0 123.164207 18.0 125.786797 18.0 128.188492 20.0 138.885208 20.0 143.785812 18.0 146.967224 84.0 147.09967 17.0 148.232773 22.0 152.990067 17.0 160.456772 20.0 160.558899 26.0 161.041656 40.0 162.932083 35.0 164.0522 19.0 166.052414 23.0 166.418137 40.0 168.990082 31.999998 170.592987 20.0 172.041977 24.0 172.957489 30.0 174.974945 18.0 175.236801 18.0 178.69603 22.0 178.951004 18.0 181.593262 18.0 181.886429 18.0 183.06192 18.0 186.015121 17.0 187.139038 18.0 193.986115 20.0 196.454391 18.0 198.522552 22.0 204.921402 18.0 206.063141 18.0 207.052109 23.0 211.706726 22.0 211.823166 18.0 211.954193 24.0 218.955032 27.0 223.054581 34.0 244.845871 19.0 245.937469 19.0 246.474686 18.0 246.733856 23.0 250.064209 24.0 252.233597 20.0 252.888916 18.0 263.400787 24.0 265.390869 18.0 267.30069 24.0 268.702332 23.0 276.2388 18.0 276.281525 22.0 280.582428 21.0 287.079956 48.0 290.647675 18.0 290.887329 18.0 294.305023 22.0 302.269867 17.0 304.852112 17.0 305.001404 23.0 306.81604 17.0 307.707977 18.0 311.947449 25.0 317.585907 20.0 325.304108 20.0 330.834412 24.0 342.728149 26.0 367.134125 17.0 370.133545 18.0 378.256378 18.0 403.74826 17.0 432.098877 407.0 434.107544 20.0 440.8526 21.0 454.647125 20.0 471.398315 18.0 538.474487 17.0 572.430176 17.0 670.529724 24.0 730.407104 22.0 870.886047 18.0 957.863464 17.0 1050.854614 17.0 1059.888184 23.0 1060.148315 18.0 1084.055664 44.0 1192.08667 20.0 1194.482422 18.0 END IONS BEGIN IONS SCANS=218 PEPMASS=181.07138 CHARGE=-1 COLLISION_ENERGY=0.0 50.059139 18.0 50.676826 20.0 51.904045 21.0 52.381134 19.0 53.327007 18.0 54.750515 24.0 55.019375 202.0 55.143215 25.0 55.530693 17.0 56.457863 17.0 56.995743 19.0 57.789604 22.0 58.002789 24.0 58.035526 18.0 58.815845 18.0 59.013206 1746.0 59.03027 39.0 59.254765 18.0 59.403519 20.0 59.861885 21.0 60.017506 68.0 60.082943 24.0 60.146225 18.0 61.01825 18.0 61.498833 20.0 61.969349 22.0 62.380196 20.0 62.422852 60.0 62.515411 20.0 62.877445 18.0 63.415771 25.0 65.373795 18.0 65.56794 19.0 68.008904 20.0 68.483421 19.0 69.03492 212.0 69.340462 39.0 69.86158 18.0 70.036888 17.0 70.237206 30.0 70.698143 17.0 70.754585 17.0 70.961189 18.0 71.01342 5010.324707 71.222992 40.0 71.355507 20.0 72.017441 150.0 73.02832 1430.0 73.052917 21.0 73.082848 21.0 74.031197 57.0 75.907776 20.0 77.744942 22.0 77.921104 18.0 78.307846 24.0 78.663055 22.0 78.840462 18.0 78.847977 19.0 79.959503 28.0 80.767624 18.0 81.035606 37.0 81.346619 16.08742 81.353989 43.267818 81.655731 30.0 81.902199 19.0 82.585205 23.0 82.839607 18.0 83.013222 503.0 83.558311 23.0 84.01651 35.0 85.011871 23.0 85.02919 991.0 85.40403 18.0 85.758583 20.0 86.032166 148.0 87.007324 17.0 89.024025 3435.0 89.069641 68.0 89.947838 19.0 89.985817 20.0 90.004608 27.0 90.027504 163.0 90.093102 18.0 90.551208 38.0 91.03978 100.0 91.707489 18.0 93.212257 22.0 93.293869 20.0 93.89991 25.0 94.872185 25.0 95.012589 70.0 95.529198 18.0 95.7668 20.0 95.821938 18.0 97.029205 354.260468 98.566185 19.0 100.528702 17.0 101.02372 3662.50415 101.124458 18.0 101.549835 18.0 102.027428 278.0 102.178741 20.0 103.039406 138.742676 103.679825 30.0 105.406578 18.0 106.715393 18.0 109.171921 22.0 110.556938 18.0 110.947731 24.0 112.30899 27.0 112.980911 18.0 113.023499 534.0 113.391869 20.0 113.481903 18.0 113.551476 21.0 114.351189 22.0 114.920692 17.0 115.041016 400.93396 119.034454 573.0 119.154594 20.0 119.889908 18.0 120.767685 21.0 121.03833 18.0 121.052971 58.0 122.827736 29.0 124.606567 20.0 125.555008 25.0 125.793915 21.0 127.039597 26.0 127.142288 18.0 128.558014 23.0 130.145447 20.0 130.601532 19.0 130.742249 30.0 131.035339 370.0 131.810867 20.0 132.039154 18.0 133.048584 18.0 133.548462 20.0 135.828186 20.0 136.293503 22.0 138.28035 18.0 138.86557 18.0 141.499802 51.0 143.0401 20.0 143.470215 22.0 144.392426 19.0 144.660751 18.0 145.052795 21.0 145.578156 27.0 146.054352 18.0 146.321808 30.0 146.963181 27.0 147.387634 18.0 149.047546 162.0 150.376038 27.0 153.421616 17.0 158.381073 18.0 161.042923 66.0 162.020889 26.0 163.059906 598.0 163.418335 18.0 164.068588 37.0 166.857697 28.0 171.138458 29.0 176.417953 22.0 178.449158 18.0 178.551636 22.0 179.037491 26.0 179.057541 38.0 179.605377 18.0 180.8423 17.0 181.071381 5893.805664 181.260712 18.0 182.07283 543.0 182.317795 28.0 182.476379 21.0 182.653946 20.0 183.075943 144.0 184.889069 17.0 187.087753 19.0 187.285843 27.0 188.953766 18.0 189.481659 18.0 189.931625 20.0 195.889938 36.0 197.923279 18.0 203.619598 18.0 204.84227 18.0 205.060867 24.0 208.373871 18.0 209.345642 20.0 209.551498 19.0 211.400375 26.0 215.128448 17.0 227.079071 42.0 232.768707 18.0 234.730255 32.0 237.516434 18.0 240.774887 24.0 245.024521 18.0 253.481628 18.0 254.915649 33.0 264.721283 22.0 266.938721 28.0 270.59201 23.0 272.0672 18.0 272.787415 18.0 278.78241 23.0 278.98172 22.0 280.536407 22.0 282.365753 18.0 282.644318 20.0 284.035706 35.0 285.825165 20.0 286.168884 21.0 290.639099 17.0 296.136627 18.0 301.258087 18.0 308.763092 26.0 323.109772 68.0 350.154846 21.0 356.281982 17.0 357.532288 17.0 376.20401 18.0 377.292023 18.0 388.353973 20.0 411.539307 17.0 488.049072 20.0 729.458008 51.0 982.609802 20.0 1006.16925 18.0 1068.769531 17.0 1105.529175 24.0 1125.500854 18.0 1154.323853 18.0 1167.450928 18.0 1179.60144 20.0 1183.499268 20.0 1186.61792 18.0 END IONS BEGIN IONS SCANS=219 PEPMASS=128.95891 CHARGE=0 COLLISION_ENERGY=0.0 50.199162 18.0 50.456802 36.0 50.788445 17.0 51.351898 18.0 52.350246 19.0 52.38924 19.0 52.67086 18.0 53.096889 17.0 53.716408 18.0 54.333199 24.0 54.43029 20.0 54.459183 22.0 54.996555 17.0 55.037155 22.0 55.161518 20.0 55.501793 24.0 55.55801 20.0 56.521458 17.0 56.957542 20.0 57.276184 18.0 60.794697 19.0 61.060772 39.0 61.857613 54.0 61.956726 26.0 62.873917 41.0 62.94017 26.0 63.308979 24.0 63.414585 26.0 63.594067 20.0 63.766376 23.0 63.879269 19.0 64.025215 41.0 64.43058 22.0 64.826744 22.0 65.937317 20.0 66.165733 48.0 66.296974 37.0 70.569191 31.0 72.843468 28.0 72.891312 18.0 73.565498 31.0 74.003883 38.0 74.082405 21.0 75.531853 21.0 76.195969 24.0 76.225067 20.0 76.368019 18.0 78.189987 18.0 78.737503 19.0 78.852798 18.0 80.036842 17.0 80.151627 18.0 80.286835 22.0 82.100418 20.0 82.359505 18.0 82.885765 18.0 85.673363 18.0 86.00544 22.0 86.032784 30.0 86.460045 49.0 86.584679 19.0 86.608994 30.0 86.650383 18.0 86.715393 20.0 87.497604 19.0 87.553299 20.0 87.612808 28.0 88.107277 25.0 88.479561 18.0 88.845718 17.0 88.877869 20.0 89.927696 33.0 90.355324 34.0 91.918877 22.0 92.134254 39.0 92.270515 18.0 92.660431 44.0 92.680893 18.0 92.814522 25.0 93.47493 18.0 95.163895 54.0 95.252052 19.0 96.721451 23.0 98.099564 22.0 99.663475 43.0 99.704567 17.0 101.264221 37.0 101.520699 20.0 102.403885 19.0 102.561348 21.0 103.017159 21.0 103.640755 23.0 103.662605 23.0 103.964806 21.0 104.248581 18.0 104.774719 20.0 105.15892 17.0 106.206581 20.0 107.327957 18.0 108.114128 27.0 110.453163 22.0 111.686371 32.0 114.319557 22.0 115.756119 17.0 115.923264 23.0 116.959183 21.0 117.538307 18.0 118.464539 43.0 119.252594 23.0 119.607628 20.0 120.767075 17.0 123.607819 19.0 124.091171 21.0 124.670876 25.0 125.289101 22.0 125.387199 20.0 125.426643 24.0 125.955818 17.0 126.110764 22.0 126.848381 18.0 128.959442 195.0 129.777161 17.0 131.550308 20.0 131.832779 18.0 133.209946 18.0 133.810532 22.0 133.997528 40.0 134.787888 20.0 136.548325 19.0 137.14415 18.0 138.904877 22.0 140.112839 18.0 140.750214 22.0 143.284729 21.0 143.623749 36.0 144.506622 35.0 146.30751 18.0 146.566696 45.0 146.896759 20.0 146.940811 31.0 147.231949 30.0 147.28334 30.0 147.420258 18.0 148.316971 18.0 149.114624 94.0 149.868652 18.0 150.03566 21.0 151.888077 20.0 158.104706 21.0 158.396042 18.0 161.043274 18.0 161.340973 34.0 162.184204 20.0 162.560364 20.0 162.937378 18.0 164.625 17.0 165.119095 22.0 165.232162 65.0 165.380539 23.0 165.497971 28.0 170.650711 25.0 172.332825 18.0 173.015549 20.0 175.885086 20.0 180.919296 18.0 181.074005 17.0 181.225693 58.0 183.621857 34.0 184.384018 22.0 185.700104 18.0 188.515442 27.0 188.997665 27.0 190.475616 20.0 191.665665 17.0 194.89621 22.0 204.814117 29.0 205.708267 23.0 206.598709 30.0 206.687714 25.0 209.787338 18.0 212.406891 22.0 212.886322 41.0 212.972336 24.0 214.63118 18.0 218.457184 23.0 221.313629 20.0 222.312531 20.0 223.546371 18.0 225.190338 28.0 226.044693 17.0 244.049728 47.0 244.949219 17.0 246.62912 25.0 247.078827 18.0 248.221085 19.0 249.006073 27.0 249.738327 17.0 252.265152 42.0 254.463501 33.0 258.062561 28.0 259.213287 18.0 260.082886 18.0 260.466248 17.0 261.034973 20.0 263.010345 20.0 266.817566 52.0 267.392395 20.0 276.68985 24.0 277.775421 18.0 285.859314 23.0 288.818787 22.0 290.134521 24.0 291.24115 23.0 296.886292 18.0 298.884216 18.0 299.416199 18.0 313.873138 20.0 315.229248 20.0 318.795471 74.0 333.303467 32.0 337.244141 22.0 343.574707 20.0 350.225555 56.0 365.870026 18.0 369.086151 17.0 370.754364 20.0 373.07843 51.0 380.817535 19.0 380.855194 18.0 384.812775 20.0 417.656738 20.0 418.462616 26.0 422.727051 19.0 476.570953 24.0 552.682068 24.0 565.311462 32.0 565.644897 24.0 565.740601 18.0 586.842346 44.0 634.380676 19.0 639.268494 20.0 643.432861 20.0 652.115051 53.0 678.800537 23.0 754.925171 27.0 756.956177 18.0 773.639465 21.0 788.588745 20.0 800.644531 35.0 821.407043 17.0 874.623901 18.0 890.616394 19.0 968.582092 38.0 971.601868 18.0 979.049927 20.0 986.952576 18.0 1012.546631 23.0 1037.282837 20.0 1094.53772 49.0 1095.506714 20.0 1103.180908 27.0 1114.534912 17.0 1136.513672 18.0 1137.467896 21.0 1139.496094 20.0 1142.505005 17.0 1168.832642 29.0 1183.461426 20.0 1188.99353 19.0 END IONS BEGIN IONS SCANS=220 PEPMASS=296.88145 CHARGE=-1 COLLISION_ENERGY=0.0 50.232857 17.0 50.793346 17.0 53.461239 18.0 54.257622 28.0 56.394302 20.0 58.14439 20.0 59.410343 17.0 59.74094 27.0 60.425602 18.0 61.122295 33.0 61.468655 23.0 62.231056 20.0 62.690426 18.0 63.144203 19.0 64.058418 22.0 64.421455 18.0 65.570129 18.0 65.67276 25.0 65.713722 20.0 66.247505 20.0 66.720451 28.0 67.6642 19.0 68.301514 32.0 70.217293 18.0 70.281792 23.0 71.166702 21.0 73.701874 19.0 74.73481 46.0 78.440826 18.0 78.892784 20.0 81.003479 24.0 81.58873 25.0 81.75235 67.0 83.150002 68.0 84.636848 23.0 84.965706 20.0 85.647873 62.0 86.297653 24.0 86.648827 18.0 87.302773 24.0 98.019051 22.0 99.120964 21.0 100.920334 28.0 101.57518 18.0 103.560364 18.0 105.48999 29.0 111.809692 22.0 111.922829 40.0 112.714439 37.0 116.560776 22.0 118.208115 25.0 118.980064 18.0 119.029503 25.0 119.39045 25.0 125.379745 29.0 126.713074 22.0 127.067635 18.0 127.490067 19.0 127.911491 18.0 128.010941 51.0 128.425323 23.0 128.959335 8016.30957 129.068512 21.0 129.5159 18.0 129.712982 17.0 129.859497 18.0 129.963852 301.0 130.120529 24.0 130.153702 19.0 130.958511 764.0 131.251053 20.0 131.96019 17.0 132.189621 18.0 133.163727 30.0 133.664185 26.0 133.807007 37.0 134.645676 18.0 137.027374 19.0 138.329803 18.0 141.079987 31.0 146.204422 21.0 149.019577 33.0 150.679306 20.0 157.788696 18.0 160.046265 19.0 162.145096 68.0 163.416534 30.0 163.487839 24.0 168.602982 19.968136 168.618637 31.031862 169.483627 19.0 176.223068 40.0 176.840439 21.0 181.073334 43.0 183.007401 27.0 183.062042 20.0 191.715347 33.0 191.794006 45.0 194.005844 18.0 196.023926 26.0 196.900284 18.0 197.029953 21.0 199.041687 34.0 203.072998 18.0 203.611633 17.0 208.760483 18.0 212.109772 20.0 214.399338 38.0 214.921677 25.0 225.646515 22.0 229.320892 27.0 233.838562 19.0 239.076385 24.0 239.650543 27.0 240.575546 20.0 245.299576 26.0 262.622467 23.0 267.349365 22.0 272.956024 22.0 277.807648 32.0 279.224976 25.0 289.297028 23.0 291.593781 20.0 296.062683 18.0 296.882538 93.0 297.152496 53.0 298.153198 37.0 298.88269 17.0 299.757629 21.0 300.155945 20.0 305.406372 20.0 342.942444 18.0 353.13858 22.0 355.967712 18.0 386.263123 26.0 409.900116 37.0 480.301056 28.0 483.530121 23.0 505.149109 22.0 510.663269 20.0 515.71759 21.0 531.508301 22.0 625.501282 18.0 628.868347 19.0 632.717468 20.0 695.01886 18.0 776.105225 18.0 788.196655 18.0 794.373474 20.0 849.708801 20.0 928.696411 20.0 977.468628 17.0 1011.742371 31.0 1012.547546 17.0 1014.421448 25.0 1032.913208 31.0 1054.546509 17.0 1095.530518 45.0 1137.511108 18.0 1167.966309 18.0 END IONS BEGIN IONS SCANS=221 PEPMASS=380.84315 CHARGE=-1 COLLISION_ENERGY=0.0 72.99128 18.0 99.531052 20.0 118.222855 28.0 119.138435 18.0 120.784851 18.0 124.402756 23.0 128.958893 18186.791016 129.01445 18.0 129.274582 18.0 129.637085 27.0 129.799484 18.0 129.961365 354.0 130.219528 37.0 130.340973 20.0 130.550552 20.0 130.95813 1386.0 131.235184 18.0 131.969406 18.0 135.422012 22.0 139.189377 45.0 140.022781 19.0 167.937592 18.0 192.123688 27.0 197.88652 19.0 212.921631 521.0 213.791946 19.0 214.916504 122.0 215.042191 20.0 215.841309 28.0 215.929153 22.0 223.098923 18.0 226.383377 34.0 229.960815 24.0 241.187119 22.0 275.887451 19.0 296.861389 18.0 296.966766 18.0 297.142609 25.0 297.58429 31.0 305.472595 19.0 321.101837 18.0 332.133606 21.0 335.586151 24.0 345.246979 20.0 350.15976 25.0 357.061188 24.0 381.119019 26.0 381.223694 21.0 381.256531 26.0 421.07666 27.0 440.934174 28.0 585.196899 20.0 612.07489 21.0 746.047424 22.0 769.120667 28.0 880.628967 22.0 899.086365 17.0 1102.223389 20.0 END IONS BEGIN IONS SCANS=222 PEPMASS=181.07127 CHARGE=-1 COLLISION_ENERGY=0.0 50.054127 18.0 50.076569 18.0 51.242878 18.0 51.262436 20.0 51.642902 23.0 52.451336 18.0 53.017742 25.0 53.037495 18.0 53.449219 28.0 53.944363 17.0 55.0177 391.0 55.308697 42.0 55.723736 18.0 55.731976 26.0 56.624771 17.0 56.761223 20.0 57.000099 18.0 57.032169 75.0 58.003506 36.0 58.164978 41.0 58.190353 23.0 58.938431 20.0 59.013611 4533.305664 59.246563 18.0 59.369785 21.0 59.666031 21.0 60.018364 174.549301 60.320217 20.0 60.354229 32.0 60.809517 28.0 61.01899 92.965553 61.028641 18.0 61.114548 20.0 61.24255 21.0 61.880505 21.0 62.628624 27.0 62.709686 20.0 62.996262 21.0 63.700176 18.0 63.924271 22.999998 64.343102 20.0 64.69178 19.0 65.444725 17.0 65.539642 21.0 65.570992 18.0 65.593086 35.0 65.72438 21.0 65.748451 20.0 66.28212 20.0 66.334976 20.0 66.751427 18.0 67.017433 21.0 67.20121 22.0 67.795197 25.0 69.03376 147.0 69.080391 18.0 69.168198 18.0 69.451576 17.0 69.89695 42.0 69.998665 25.0 70.995171 16.689306 71.013359 8409.068359 71.033546 72.0 71.048592 22.0 71.215775 18.0 71.480461 18.0 71.70948 50.0 72.016594 393.598145 72.041512 20.0 72.204094 17.0 72.742889 19.0 73.029007 1821.370239 73.10463 19.0 73.326935 29.0 73.354271 17.0 73.408592 24.0 73.545113 18.0 74.035141 86.0 74.672516 18.0 75.607086 18.0 76.59185 25.0 76.999031 28.0 77.350838 29.0 78.046532 22.0 78.070343 18.0 78.20649 18.0 79.013954 19.0 79.395607 24.0 80.100708 21.0 80.177841 18.0 81.027931 18.0 81.060104 31.0 82.283005 18.0 82.938011 17.0 83.01368 860.964844 83.194992 19.0 83.271645 44.0 84.018425 72.0 84.973366 45.0 85.029266 2248.0 85.770042 19.0 85.998764 17.0 86.03083 45.0 87.009422 105.0 87.043991 41.326439 88.012581 18.0 88.022575 18.0 88.109253 20.0 88.532669 18.0 88.584236 33.0 89.024078 6136.0 89.272896 22.0 89.695381 23.0 90.027428 277.0 90.170525 23.0 90.408882 22.0 90.525955 23.0 90.763657 19.0 91.034935 45.08469 91.151573 23.0 91.263885 18.0 91.651184 22.0 94.255341 17.0 94.492828 18.0 96.555153 21.0 97.028702 496.0 97.562431 18.0 98.001297 20.0 98.032082 19.0 99.046349 38.0 101.023956 9381.927734 101.566391 36.0 102.026962 350.0 102.08374 22.0 102.742104 22.0 102.754265 22.0 103.040009 171.161789 103.438736 26.0 103.558571 28.0 104.162338 18.0 104.36058 22.0 105.752083 18.0 106.707268 18.0 107.647697 18.0 109.030235 20.0 110.275406 60.0 111.044373 25.0 112.167572 24.0 112.571968 20.0 112.985039 19.0 113.024422 1057.187378 113.678383 19.0 113.799026 28.0 113.865654 18.0 114.029022 112.0 114.708008 37.0 114.891052 22.0 115.040634 304.0 115.956886 50.0 116.038223 20.0 116.10421 18.0 116.191574 21.0 116.993347 18.0 117.131645 23.0 117.547287 21.0 117.76284 25.0 118.31852 28.0 119.034836 1324.70459 120.036636 78.0 121.048332 61.0 121.100739 40.0 121.755264 40.0 125.952171 20.0 126.551308 18.0 127.042046 30.0 127.808006 22.0 128.012985 44.0 128.040863 18.0 128.47142 18.0 130.729782 21.0 131.034897 716.0 132.038132 18.0 132.201736 37.0 132.532547 18.0 132.642563 20.0 132.907104 18.0 132.924423 41.0 133.046448 26.0 134.062073 26.0 134.504105 21.0 134.594589 29.0 135.719757 21.0 138.052917 36.0 138.764511 20.0 139.758804 18.0 140.198944 20.0 141.460419 37.0 143.034897 160.0 143.111465 20.0 143.280746 20.0 143.530838 32.0 145.051682 49.0 145.951538 18.0 146.041595 68.0 146.682373 27.0 149.013748 18.0 149.042648 280.0 149.678513 18.0 150.046936 18.0 150.216171 22.0 150.58638 19.0 153.090622 17.0 156.17247 22.0 158.277802 23.0 161.046875 190.0 161.941818 20.0 162.058136 18.0 162.113754 19.0 162.634491 17.0 162.937119 25.0 163.061752 2001.0 163.891418 20.0 164.061188 127.0 165.069931 88.0 165.449493 18.0 166.973175 17.0 169.317276 22.0 174.302948 20.0 174.335876 19.0 177.305984 18.0 177.340042 20.0 177.796082 51.0 179.056931 130.0 179.491333 17.0 180.069931 23.0 181.008896 40.0 181.071823 8945.450195 182.074921 833.480103 183.078384 206.0 183.751984 19.0 183.933289 29.0 183.975983 22.0 185.427399 25.0 190.62265 20.0 190.914337 20.0 197.610474 22.0 199.205444 30.0 199.828323 18.0 200.728348 23.0 200.759262 24.0 201.920273 20.0 206.604385 24.0 206.778946 19.0 209.120895 21.0 211.847809 29.0 213.406067 18.0 213.975739 34.0 215.92395 26.0 224.318542 18.0 225.065002 51.0 227.072937 17.0 234.758362 20.0 238.002045 19.999998 242.745255 17.0 246.279556 22.0 248.724808 18.0 249.607269 18.0 253.651169 18.0 254.231857 17.0 254.63623 18.0 261.126251 23.0 266.89386 18.0 269.652893 21.999998 274.578979 25.0 275.872467 18.0 278.292542 18.0 278.803497 22.0 281.709808 22.0 283.004272 20.0 283.202881 31.000002 291.501038 20.0 313.951324 20.0 324.896851 27.0 338.99884 18.0 339.915009 24.0 341.10733 90.0 350.638031 18.0 356.970245 18.0 359.700928 18.0 362.512115 22.0 374.289429 18.0 379.2742 17.0 381.850952 34.0 383.357361 36.0 384.675354 25.0 397.842926 45.0 415.09787 19.0 416.122711 17.0 441.293671 24.0 453.331055 18.0 476.102997 43.0 483.793793 18.0 486.328766 48.0 499.775757 20.0 500.504181 17.0 634.719788 18.0 635.242859 23.0 636.715637 17.0 637.194519 26.0 718.699463 21.0 847.476746 18.0 856.446655 20.0 897.650635 18.0 901.6026 22.0 919.607727 24.0 923.530396 17.0 955.679016 19.0 987.557495 18.0 989.568909 20.0 1003.868408 18.0 1004.554443 39.0 1017.339844 53.0 1036.988403 18.0 1052.775146 23.0 1077.047363 21.0 1084.134155 17.0 1086.704834 24.0 1104.584717 19.0 1105.856201 18.0 1130.760498 21.0 1133.173462 39.0 1135.324707 19.999998 1142.316895 17.0 1144.530884 26.0 1157.959717 19.0 1174.728882 21.0 1178.171875 29.0 1183.506104 33.0 1198.483643 18.0 END IONS BEGIN IONS SCANS=223 PEPMASS=101.02382 CHARGE=0 COLLISION_ENERGY=0.0 52.909969 20.0 54.236969 17.0 70.338997 18.0 73.026001 17.0 84.158928 20.0 88.827553 31.0 93.020294 18.0 101.201073 65.0 105.603577 26.0 105.764641 18.0 108.906769 22.0 115.963364 20.0 118.900864 22.0 119.329071 22.0 121.720673 21.0 125.197678 18.0 130.279877 20.0 135.963699 28.0 139.199951 21.0 141.13649 19.0 143.353943 34.0 146.702225 19.0 149.817215 18.0 152.963287 25.0 153.509521 27.0 153.859039 18.0 164.922058 18.0 165.175446 21.0 169.553482 35.0 170.843491 24.0 175.565964 19.0 177.421524 17.0 182.672821 37.0 184.802628 24.0 194.655716 26.0 205.221588 18.0 227.07843 18.0 228.099258 23.0 230.051163 18.0 238.562027 23.0 239.009766 18.0 240.987701 25.0 260.369965 20.0 263.088806 22.0 276.174042 20.0 280.213348 18.0 311.264099 20.0 316.127228 27.0 320.427002 34.0 321.693787 38.0 338.493408 21.0 353.013458 22.0 376.271057 28.0 438.649658 20.0 444.10791 18.0 484.341675 22.0 END IONS BEGIN IONS SCANS=224 PEPMASS=163.06056 CHARGE=0 COLLISION_ENERGY=0.0 50.293488 24.0 50.535225 22.0 50.629189 18.0 51.786858 25.0 52.446262 20.0 52.502758 45.0 54.391308 22.0 54.73716 20.0 54.994011 27.0 55.037189 18.0 55.054287 39.0 55.124783 33.0 55.209381 20.0 55.977631 28.0 56.691059 22.0 57.164391 18.0 59.01366 40.0 61.024307 18.0 61.085739 21.0 61.395481 18.0 62.748608 20.0 62.881718 28.0 62.90958 20.0 63.28138 19.0 63.736389 42.0 64.700256 33.0 64.764435 20.0 65.413071 20.0 65.541412 17.0 65.823067 20.0 65.850876 70.0 66.308723 20.0 66.422523 20.0 66.6586 18.0 67.338013 49.0 67.68866 24.0 67.71032 18.0 68.167709 20.0 68.396614 17.0 68.608376 18.0 69.186234 20.0 69.222176 24.000002 69.434784 18.0 69.798134 22.0 69.957169 23.0 69.977844 18.0 70.651909 20.0 70.734428 18.0 70.804543 17.0 70.97361 37.0 71.014717 19.0 72.058884 20.0 72.485161 29.0 73.711655 25.0 76.503494 22.0 77.286026 17.0 79.605942 20.0 79.88401 18.0 80.000496 20.0 80.183197 20.0 80.828003 22.0 81.792595 22.0 82.606514 22.0 83.013397 20.0 83.117874 20.0 83.233284 19.0 83.516747 23.0 84.060669 30.0 85.030258 22.0 85.168472 20.0 86.957886 22.0 87.361343 24.0 88.654045 25.0 89.30938 30.0 89.775513 25.0 90.121574 17.0 91.75238 35.0 92.049103 18.0 92.485329 18.0 92.829353 18.0 93.419586 19.0 94.4664 19.0 94.875298 19.0 95.954193 20.0 96.787804 24.0 97.895348 27.0 98.182884 22.0 99.044777 25.0 99.722038 30.0 101.02343 17.0 103.216652 22.0 104.805344 17.0 106.730736 25.0 106.862343 25.0 106.932999 29.0 107.381836 18.0 107.46875 20.0 110.685478 18.0 111.597557 17.0 111.825066 19.0 112.258682 20.0 113.691849 20.0 116.849709 25.0 119.702286 20.0 120.438919 42.0 121.911476 17.0 124.761459 18.0 125.712776 36.0 126.41864 29.0 126.601662 26.0 126.79689 18.0 128.564835 27.0 128.959122 62.0 130.716858 33.0 130.777969 17.0 130.963806 25.0 131.038879 18.0 131.491302 17.0 131.945068 18.0 135.47319 17.0 136.015686 18.0 138.052063 31.0 139.302567 23.0 141.450851 24.0 143.113449 19.0 143.149963 38.0 143.980789 22.0 145.057343 17.0 146.856506 20.0 150.694611 30.0 151.196915 38.0 152.91507 18.0 153.444839 28.0 153.516388 18.0 156.746109 56.0 156.903183 20.0 158.484924 18.0 159.823212 19.0 162.051193 22.0 162.236847 35.0 163.061859 94.0 163.321335 24.0 164.90979 17.0 165.197311 20.0 166.051102 39.0 168.073257 25.0 168.635025 20.0 168.96077 20.0 169.649826 30.0 170.639297 20.0 170.931244 29.0 171.083145 32.0 171.456146 48.0 179.050995 18.0 182.078903 36.0 182.914612 18.0 184.967667 20.0 185.578598 26.0 189.502792 21.0 189.82782 19.0 192.764633 29.0 194.074097 20.0 196.82692 31.0 200.09549 21.0 200.397675 27.0 202.789627 19.0 206.000549 19.0 213.380478 24.0 219.142944 30.0 221.949493 18.0 222.060959 18.0 227.075562 38.0 229.076904 26.0 235.477722 22.0 236.527023 25.0 238.090942 26.0 238.779129 18.0 241.681564 30.0 241.769608 32.0 246.262421 36.0 248.164154 22.0 248.532974 22.0 252.450302 25.0 253.502975 23.0 253.60907 22.0 257.808044 23.0 262.075073 25.0 264.08606 19.0 280.233093 22.0 280.541565 21.0 282.770355 19.0 295.663666 18.0 303.034332 18.0 313.830109 19.0 314.595581 25.0 320.529785 20.0 322.289032 21.0 325.857452 20.0 326.801514 36.0 328.717621 18.0 330.267548 23.0 333.995056 17.0 334.551971 22.0 334.98822 24.0 336.523254 21.0 338.952209 26.0 341.103333 19.0 342.894318 26.0 345.231384 17.0 350.933105 24.0 357.404327 19.0 358.622406 18.0 376.285217 27.0 382.862946 18.0 407.058624 17.0 423.611664 18.0 430.617462 30.0 464.817474 22.0 497.154205 33.0 516.983459 22.0 554.905945 18.0 575.234558 26.0 589.484619 17.0 598.254333 30.0 615.729248 23.0 631.190979 19.0 645.516541 18.0 808.468445 18.0 824.460815 20.0 848.247681 17.0 889.701294 18.0 918.877869 26.0 970.555481 17.0 971.607483 19.0 984.077332 18.0 1010.740906 18.0 1011.067017 20.0 1011.538269 17.0 1036.297363 20.0 1052.517334 24.0 1054.552368 33.0 1061.596069 18.0 1132.495239 19.0 1140.459961 34.0 1144.602905 19.0 1155.156372 17.0 1174.045898 20.0 1174.528442 20.0 1179.453003 25.0 1189.44043 20.0 1194.629761 18.0 END IONS BEGIN IONS SCANS=225 PEPMASS=499.07031 CHARGE=-1 COLLISION_ENERGY=0.0 59.013988 62.0 59.867596 24.0 62.141056 23.0 71.01355 203.0 73.030396 20.0 80.044533 18.0 85.030197 20.0 85.905594 34.0 87.008453 185.0 88.009933 18.0 89.024582 598.0 89.337616 21.0 90.805611 23.0 101.023163 399.0 102.024811 18.0 103.037827 37.0 107.035446 20.0 108.863785 20.0 111.031929 18.0 113.022957 234.0 113.802727 21.0 114.02623 24.0 119.035263 609.0 120.041328 18.0 125.047211 28.0 127.088844 24.0 127.959 21.0 128.035431 80.511093 128.050583 21.488905 128.814682 18.0 128.959122 5619.057617 129.017487 61.0 129.055023 82.0 129.962738 116.0 130.018463 23.0 130.050629 99.0 130.091644 51.0 130.391724 26.0 130.712952 19.0 130.957291 451.670502 131.003372 59.0 131.035461 93.0 131.054825 18.0 131.967926 21.0 132.08255 21.0 133.054459 42.0 133.752487 33.0 134.364929 24.0 142.511536 23.0 143.035736 260.0 144.036697 41.0 145.043976 30.0 149.045853 92.0 152.569473 22.0 153.510574 20.0 157.091858 18.0 161.045456 373.0 163.052078 24.0 172.990692 19.0 179.055466 1105.0 180.059586 38.0 181.057327 18.0 199.751724 17.0 202.99025 38.0 212.025589 26.0 215.132706 20.0 217.25 25.0 221.065613 19.0 225.129745 18.0 225.716385 26.0 226.015579 20.0 230.977875 21.0 249.637009 19.0 251.837234 20.0 260.422638 20.0 260.661285 20.0 263.074738 26.0 271.352051 20.0 273.215668 19.0 275.713806 18.0 281.09021 24.0 285.36615 20.0 305.088379 18.0 318.245209 18.0 323.097504 1075.0 324.103882 222.0 325.108673 45.0 336.137207 20.0 337.038513 20.0 337.441772 25.0 338.947876 17.0 340.955963 25.0 341.107819 9272.97168 341.200592 17.0 341.346771 18.0 341.374084 20.0 341.425293 22.0 341.685211 18.0 342.114532 1469.0 342.37738 42.0 343.110352 206.0 343.482269 18.0 345.024902 18.0 346.774353 25.0 351.09079 22.0 354.914612 23.0 369.10437 839.437439 370.106171 97.0 371.10437 20.0 371.194458 21.0 372.114471 31.0 383.521606 24.0 397.096954 19.0 407.155853 42.0 415.108612 2842.0 415.235382 18.0 416.113953 639.0 417.109528 160.0 418.207001 17.0 419.222809 21.0 433.957184 18.0 435.384552 30.0 435.833221 20.0 456.335144 36.0 498.169373 44.0 499.069153 23.0 499.170624 56.0 500.152588 18.0 501.13205 36.0 555.824463 23.0 590.420959 20.0 618.054382 17.0 651.703125 20.0 777.306091 27.0 828.3526 23.0 END IONS BEGIN IONS SCANS=226 PEPMASS=443.1039 CHARGE=-1 COLLISION_ENERGY=0.0 55.01675 37.0 56.833996 23.0 57.18745 20.0 59.012989 316.0 59.186867 18.0 59.265411 20.0 71.013542 634.0 71.131744 18.0 72.99041 40.0 73.021301 21.622892 73.031006 42.377106 75.007179 113.0 83.016518 18.0 85.029472 39.0 87.007935 405.0 87.045364 33.0 89.024681 1745.0 89.217667 17.0 90.026138 59.0 95.01239 56.0 97.02771 20.0 99.007797 18.0 99.042839 24.0 101.024315 1375.0 101.386009 20.0 102.029198 38.0 103.025467 37.0 103.510162 18.0 107.033394 24.0 109.032578 18.0 111.364029 19.0 113.024315 568.0 114.028732 19.0 117.015732 20.0 117.347572 18.0 119.03437 1305.0 120.03978 138.0 125.025085 17.0 126.027054 35.0 129.019058 22.0 131.038422 116.0 132.688873 24.0 143.034653 452.0 144.03479 20.0 146.560104 18.0 149.043686 246.0 160.170013 17.0 161.045273 677.0 161.726486 20.0 162.047974 41.0 163.049133 18.0 166.240982 22.0 169.5354 19.0 178.287582 18.0 179.055344 2767.947021 179.103683 19.0 179.122589 21.0 180.057205 168.0 180.621597 22.0 182.23291 25.0 182.82872 18.0 193.793182 20.0 198.595383 18.0 229.159058 18.0 236.047424 20.0 247.069397 17.0 249.062958 20.0 266.762665 20.0 269.055634 20.0 281.091492 23.0 288.169556 33.0 305.085327 86.0 323.097626 1958.0 324.102386 306.0 325.104828 60.0 336.034027 32.0 337.173981 22.0 339.690796 20.0 340.744568 19.0 341.014801 20.0 341.107849 11934.0 342.111816 1775.234375 342.529266 19.0 343.046631 18.0 343.115234 400.0 344.119568 102.0 345.244324 17.0 345.679443 18.0 350.273804 25.0 369.105255 606.0 370.099365 18.0 371.087067 44.0 397.102814 44.0 415.118439 91.0 416.11969 18.0 429.268524 25.0 443.104889 446.0 444.112457 195.0 445.102203 41.0 445.129822 25.252117 531.133423 34.0 556.332886 24.0 567.091003 18.0 676.156799 18.0 997.526917 20.0 1010.543335 35.0 END IONS BEGIN IONS SCANS=227 PEPMASS=369.10293 CHARGE=-1 COLLISION_ENERGY=0.0 51.034859 19.0 51.278343 19.0 52.472885 21.0 52.943218 28.0 53.232437 18.0 53.881058 18.0 54.545872 17.0 54.984913 22.0 55.017189 19.0 57.409992 26.0 58.082977 22.0 59.012531 109.0 60.302818 28.0 61.013943 28.0 62.626945 21.0 62.765022 18.0 63.522385 17.0 63.57703 31.0 63.756092 22.0 66.227249 22.0 66.851273 18.0 67.248535 17.0 67.499878 19.0 70.002739 22.0 70.482124 22.0 71.012596 123.0 71.321167 17.0 71.896896 18.0 72.92514 18.0 73.030022 22.0 74.120468 18.0 74.235001 18.0 76.936523 20.0 78.8675 25.0 79.242043 20.0 79.687233 17.0 80.331406 24.0 83.003761 24.0 83.018402 18.0 84.002197 19.0 84.772278 20.0 84.86393 18.0 85.015396 20.0 85.030426 31.0 85.092659 21.0 85.574905 25.0 86.296982 18.0 86.611938 18.0 87.006874 60.0 89.024704 426.0 90.025047 39.0 90.098495 19.0 90.608116 28.0 95.013557 20.0 95.74781 23.0 96.643608 18.0 97.027374 18.0 99.046417 18.0 101.023544 327.0 101.883347 18.0 102.171326 18.0 102.272469 29.0 102.746933 23.0 103.031227 23.0 104.426987 20.0 104.538902 31.0 108.275787 24.0 109.163574 26.0 111.371346 22.0 111.738632 22.0 113.024452 95.0 113.530472 18.0 114.575531 20.0 115.179314 18.0 115.668282 18.0 116.203476 37.0 116.996811 20.0 119.01902 16.390915 119.034691 235.609085 124.454414 19.0 124.835648 29.0 126.285255 23.0 127.724228 23.0 127.917236 20.0 128.100281 18.0 128.961258 42.0 129.045441 18.0 129.387756 25.0 131.035553 18.0 136.417877 20.0 136.906097 54.0 138.350586 24.0 140.292923 21.0 140.967209 20.0 142.164536 18.0 142.396179 18.0 143.035049 61.0 143.547302 21.0 146.651886 26.0 148.101425 18.0 148.131241 36.0 148.671829 21.0 150.450989 20.0 150.973389 21.0 152.493561 19.0 160.669098 21.0 161.046066 92.0 161.467117 20.0 162.053528 18.0 163.057938 18.0 163.90715 40.0 164.112457 18.0 167.05632 18.0 170.302734 20.0 172.127411 18.0 172.541428 17.0 173.090103 20.0 174.976089 18.0 179.054581 315.0 184.063934 18.0 189.042999 29.0 191.190918 20.0 191.923843 17.0 192.027176 23.0 192.56073 18.0 220.307922 18.0 221.07309 18.0 224.559784 24.0 228.01506 18.0 229.898163 17.0 232.299179 22.0 235.784836 19.0 236.157333 21.0 239.036758 33.0 244.833252 21.0 249.638657 20.0 250.550186 21.0 251.103271 17.0 252.178146 20.0 256.081482 17.0 256.113342 25.0 257.429657 17.0 257.91275 20.0 262.321869 19.0 262.917603 18.0 271.384949 23.0 283.321014 25.0 283.866425 19.0 286.529999 17.0 287.905914 22.0 296.166351 18.0 298.246948 20.0 313.874634 39.0 314.457458 18.0 316.378876 19.0 323.097809 259.0 324.109558 32.0 325.10553 20.0 325.185699 20.0 329.528381 18.0 332.850708 18.0 334.211731 18.0 338.581451 35.0 339.696106 25.0 341.107666 666.0 341.179108 18.0 341.491943 18.0 342.106049 37.0 343.106934 35.0 343.211731 19.0 353.151764 25.0 353.191345 24.0 364.898132 17.0 366.438507 26.0 369.106567 69.0 375.839508 33.0 380.845245 18.0 381.28186 18.0 387.119507 18.0 388.893646 23.0 406.088379 25.0 413.018127 23.0 415.106079 189.0 416.119934 60.0 418.256989 20.0 427.273102 18.0 427.385895 30.0 430.347778 18.0 432.099915 26.0 440.844879 42.0 443.062683 23.0 443.110046 80.0 444.111053 41.0 453.752167 24.0 455.931671 32.0 457.109375 25.0 460.082794 19.0 471.079315 20.0 472.09964 18.0 479.57428 18.0 484.161499 40.0 487.455261 20.0 499.070801 17.0 502.056061 19.0 525.712769 18.0 532.247864 20.0 581.774658 29.0 583.03656 22.0 585.032288 17.0 588.141479 18.0 604.995483 19.0 610.46698 18.0 640.2901 23.0 683.237183 44.0 711.22168 18.0 751.944214 18.0 785.21698 36.0 786.209167 22.0 795.166016 21.0 809.038574 18.0 824.179016 18.0 834.926208 20.0 883.290222 51.0 887.999695 18.0 907.130676 20.0 931.804626 19.0 935.077515 28.0 937.12738 18.0 954.138855 18.0 961.184753 26.0 989.200562 47.0 992.080627 17.0 993.972717 25.0 1002.108032 32.0 1005.109253 24.0 1027.224731 26.0 1038.116699 18.0 1084.947144 20.0 1102.550537 22.0 1104.982666 18.0 1109.366455 21.0 1138.109009 17.0 1144.664795 18.0 1147.005859 17.0 1159.663208 18.0 1178.035156 18.0 1190.501831 22.0 END IONS BEGIN IONS SCANS=228 PEPMASS=341.10793 CHARGE=-1 COLLISION_ENERGY=0.0 51.018463 20.0 52.373383 20.0 52.523071 23.0 53.14336 23.0 55.020302 51.0 56.095287 18.0 56.443867 18.0 56.998661 29.0 58.537289 22.0 59.013306 930.0 59.479504 25.0 59.77063 18.0 60.017132 22.0 63.067265 20.0 66.839813 18.0 67.833603 18.0 68.124908 20.0 68.711441 17.0 71.013336 887.0 71.830498 17.0 72.017029 20.0 74.071877 18.0 76.382027 29.0 80.413109 51.0 82.027924 20.0 82.143219 18.0 83.011932 44.0 83.238449 20.0 83.517609 18.0 83.590706 19.0 84.926254 18.0 85.029526 70.0 85.275238 17.0 87.009094 61.0 87.351173 23.0 87.826698 21.0 88.650993 18.0 88.977005 20.0 89.024086 1510.637573 90.661827 18.0 91.030914 18.0 94.36908 20.0 94.580353 24.0 95.015251 37.0 96.135078 20.0 96.568245 18.0 96.696404 18.0 97.028 40.0 97.946861 31.0 98.999611 39.0 99.549828 22.0 101.023491 1087.757812 101.285004 34.0 101.473251 19.0 103.027878 18.0 106.624657 30.0 109.203156 27.0 111.007805 22.0 111.185997 31.0 112.146935 26.0 113.025024 804.436584 113.268051 18.0 113.903984 17.0 114.026474 20.0 114.892357 20.0 115.913475 20.0 115.984192 35.0 118.965385 18.0 119.033798 987.0 119.379189 37.0 120.038155 112.0 120.064377 32.0 121.042168 17.0 121.081848 18.0 121.685966 19.0 123.701836 20.0 124.604149 17.0 126.718216 21.0 128.528976 43.0 130.737015 22.0 131.038559 214.0 132.034927 18.0 133.9776 19.0 141.003067 21.0 141.936554 31.0 143.034927 125.0 144.888565 29.0 145.031784 25.0 149.046783 122.0 150.742661 17.0 152.32785 19.0 154.393051 18.0 158.227585 27.0 161.043884 264.0 162.980804 25.0 163.064636 18.0 165.079285 18.0 166.455811 18.0 170.302277 29.0 174.182129 35.0 179.057358 1016.0 179.67453 25.0 179.975052 22.0 180.05896 117.146469 180.423615 18.0 180.723572 17.0 181.057327 26.0 209.985535 49.0 210.104874 20.0 213.06929 22.0 216.993195 20.0 225.967743 20.0 228.197174 19.0 229.122192 20.0 230.818893 22.0 232.510468 25.0 233.958115 18.0 234.188873 28.0 235.386993 18.0 236.245193 17.0 239.077179 21.0 240.356155 18.0 254.6689 24.0 259.471161 18.0 263.520477 23.0 264.183838 21.0 266.368378 17.0 266.654419 19.0 268.729462 21.0 275.015778 24.0 277.363922 33.0 281.079651 17.0 281.800201 17.0 293.864227 17.0 296.767059 26.0 297.124023 18.0 297.301117 23.0 308.629791 18.0 313.344971 18.0 317.439056 27.0 321.588806 18.0 329.926727 18.0 334.676697 63.0 340.20636 22.0 341.107819 1683.270508 341.157654 36.0 342.114655 189.0 343.108612 34.0 344.293213 18.0 351.328094 28.0 356.556946 18.0 357.218781 17.0 366.556091 18.0 375.681671 31.0 387.101898 17.0 394.813629 20.0 398.586823 20.0 415.09671 75.91156 419.15802 17.0 432.091614 19.0 434.004364 27.0 441.802917 24.0 443.100403 18.0 456.120667 21.0 465.009216 18.0 475.130005 20.0 484.123657 26.0 519.164124 18.0 527.075928 18.0 528.090759 18.0 536.392334 23.0 566.67804 20.0 571.213562 24.0 584.526001 20.0 637.651489 20.0 709.500183 28.0 863.277832 18.0 864.788879 18.0 1100.035645 20.0 1101.054443 18.0 1105.053223 20.0 1134.421509 20.0 1135.25647 19.0 1154.135986 34.0 1186.127563 20.0 1189.696045 23.0 1191.140869 26.0 END IONS BEGIN IONS SCANS=229 PEPMASS=415.1088 CHARGE=-1 COLLISION_ENERGY=0.0 50.313362 18.0 51.276134 22.0 52.017796 63.0 52.774467 17.0 55.018272 438.0 56.019421 19.0 56.997932 57.0 57.022663 17.0 57.032597 18.0 58.00425 23.0 59.013275 11300.006836 59.106487 19.0 59.18412 18.0 59.232887 18.0 59.330475 18.0 59.447136 18.0 59.553097 18.0 59.582912 18.0 59.608593 17.0 59.667194 18.0 59.697113 18.0 59.78957 18.0 60.017212 338.821198 60.13768 19.0 60.181389 19.0 61.018227 59.0 61.764091 17.0 63.09927 17.0 63.624905 20.0 66.296227 27.0 68.997932 52.0 69.035553 19.0 69.926849 18.0 70.420891 18.0 70.582848 19.0 70.619316 25.0 70.733704 17.0 70.915855 18.0 70.972153 24.0 71.013222 13974.029297 71.079048 20.0 71.254219 18.0 71.301781 18.0 71.350075 18.0 71.50985 25.0 71.66256 18.0 71.796097 18.0 71.880592 19.0 71.891563 18.0 72.015671 460.0 72.045479 21.0 72.104744 19.0 72.280815 18.0 72.989738 22.0 73.028732 1047.460571 73.151375 18.0 73.209488 22.0 73.603828 30.0 73.696739 18.0 74.029594 46.0 74.433022 22.0 74.878387 43.0 74.8936 17.0 75.009865 87.0 75.976448 35.0 76.13118 18.0 76.720482 18.0 77.230095 21.0 77.642319 32.0 79.016403 43.0 79.964165 25.0 81.033348 169.0 82.694603 26.0 83.013855 1041.981567 83.455627 22.0 84.018715 81.0 84.821129 20.0 84.988823 31.0 85.029251 1298.0 85.492577 18.0 85.769485 18.0 86.030014 163.409164 86.091766 18.0 86.254456 18.0 86.679169 23.0 86.869438 17.0 87.008293 7774.895508 87.045181 276.0 87.279091 18.0 87.516685 29.0 87.707947 17.0 87.741119 17.0 87.755547 51.885365 87.983482 18.0 88.01313 105.0 88.047058 46.0 88.883156 18.0 89.023735 34592.957031 89.065643 54.0 89.078224 24.0 89.104691 17.0 89.225365 18.0 89.266083 18.0 89.317619 36.0 89.381012 24.0 89.402573 44.0 89.466522 18.0 89.4758 20.0 89.550797 17.0 89.559891 21.0 89.581566 18.0 89.594856 18.0 89.749031 18.0 89.795792 18.0 89.847908 19.0 90.026863 1625.293335 90.209831 18.0 90.265076 20.0 90.285553 19.0 90.505974 29.0 90.557121 18.0 90.660309 19.0 90.680168 17.0 90.72731 20.0 90.960884 20.0 91.026703 279.0 91.186966 17.0 91.35218 17.0 91.592361 22.0 91.943901 20.0 92.217155 18.0 94.151001 24.0 95.012436 301.0 95.516846 19.0 96.014687 44.0 96.427322 25.0 97.028442 218.0 98.030144 24.0 98.221252 22.0 98.61937 20.0 99.008392 313.0 99.047913 182.0 99.200577 18.0 99.549835 17.0 99.57151 19.0 99.582443 18.0 100.045906 17.0 100.333305 31.0 100.594002 20.0 100.975677 18.0 101.023849 31206.361328 101.046005 20.0 101.069397 62.0 101.107506 18.0 101.214546 17.0 101.27507 17.0 101.363289 17.0 101.386421 18.0 101.94014 20.0 102.027832 1715.0 102.49192 24.0 102.634445 18.0 103.030792 219.0 103.09021 22.0 103.268951 19.0 104.377373 19.0 105.272202 20.0 105.411667 17.0 106.222832 26.0 106.362701 18.0 106.624184 20.0 107.033081 409.0 107.153648 45.0 107.84481 18.0 108.401398 22.0 108.441292 18.0 109.588165 18.0 110.127815 18.0 111.00798 113.0 111.042221 20.0 111.092209 23.0 111.323303 18.0 111.629089 20.0 112.009689 18.0 112.385529 20.0 112.512321 18.0 112.977524 20.0 113.024055 15389.84375 113.459061 18.0 113.483589 23.0 113.645683 19.0 114.027725 1188.307617 114.078842 28.0 114.212067 31.0 114.381424 24.0 114.65094 20.0 114.74514 20.0 115.037338 479.131287 115.237823 21.0 115.613495 21.0 116.037575 18.0 116.251785 28.0 116.458038 24.0 116.787621 21.0 117.017952 120.999992 117.047577 28.0 117.304756 18.0 118.025711 21.0 118.305023 18.0 118.32312 22.0 118.579704 25.0 118.896393 18.0 118.937157 19.0 118.999496 67.79068 119.034241 28400.603516 119.084015 58.913242 119.094292 63.739231 119.153763 18.0 119.314095 18.0 119.328842 20.0 119.413124 26.0 119.432716 17.0 119.486473 26.0 119.656487 19.0 120.038628 1618.088135 120.232056 18.0 120.263031 18.0 120.616493 17.0 120.85051 20.0 120.998085 20.0 121.039223 159.199997 121.047577 55.656933 121.409187 18.0 121.672935 22.0 122.105576 17.0 122.1642 17.0 122.20488 20.0 122.324936 18.0 122.551491 18.0 122.658516 17.0 122.940918 18.0 123.54744 18.0 124.390228 18.0 125.023933 1150.0 125.642914 18.0 125.686066 21.0 125.806854 26.0 126.027176 62.0 127.036469 39.0 127.264908 20.0 127.539154 18.0 127.660339 23.0 128.040619 18.0 128.499222 24.0 128.716644 21.0 129.016663 286.0 130.02005 18.0 131.010132 18.0 131.034927 4585.0 131.093994 20.0 131.118042 34.0 131.337875 27.0 131.695358 20.0 132.038177 253.0 132.591782 55.0 133.039169 101.033669 133.650208 36.0 133.743378 24.0 134.585098 21.0 135.031128 27.0 136.405212 17.0 137.022171 21.0 138.141464 32.0 139.002075 18.0 139.037964 20.0 139.595261 46.0 139.629913 18.0 139.741119 20.0 140.967194 20.0 141.013794 67.0 141.252411 18.0 141.75119 24.0 143.034531 9738.458984 143.541901 18.0 143.630447 20.0 144.038818 503.0 144.410202 18.0 144.667542 17.0 144.722351 30.0 144.976654 22.0 145.040604 211.306 145.265091 17.0 145.956146 18.0 146.040359 20.0 146.442993 19.0 146.466187 18.0 147.201324 19.0 147.978638 31.0 149.045563 4226.0 149.083618 19.0 149.252563 20.0 149.34967 17.0 149.931931 19.0 149.956894 17.0 150.048477 223.0 150.283401 20.0 150.483597 21.0 150.640259 37.0 151.049194 56.0 151.798965 40.0 152.204865 20.0 152.474472 22.0 153.902237 38.0 153.988724 43.0 155.032547 18.0 157.764725 19.0 158.329681 18.0 158.564575 18.0 159.028549 115.0 159.539993 22.0 160.191269 18.0 161.014877 20.0 161.04509 12986.0 161.144592 20.0 161.664154 22.0 161.726486 20.0 161.748627 20.0 161.797028 25.0 161.819092 55.0 161.835968 27.0 161.903641 23.0 162.048874 1058.0 162.279846 17.0 162.315109 29.0 162.458313 18.0 162.526398 17.0 163.003845 21.0 163.04924 185.0 163.480515 18.0 163.537888 21.0 163.586014 22.0 164.698685 18.0 165.169373 20.0 165.568024 18.0 166.193832 18.0 167.035583 18.0 167.197815 23.0 167.39444 25.0 167.431732 27.0 167.822479 24.0 167.911301 20.0 168.219299 18.0 168.570526 20.0 169.039566 23.0 170.597534 20.0 170.880768 39.0 171.081329 20.0 171.243118 18.0 171.461166 21.0 173.05249 20.0 173.087173 20.0 173.267868 44.0 173.579559 18.0 175.226852 18.0 176.447464 17.0 176.464035 18.0 176.552444 24.0 177.78949 20.0 177.863968 18.0 178.191132 20.0 178.72731 31.0 178.883911 18.0 178.969055 41.0 179.023361 19.0 179.055389 45299.90625 179.091904 49.317997 179.115005 439.433838 179.244171 24.0 179.284103 26.0 179.815979 40.0 179.898087 18.0 179.950806 18.0 180.059677 4116.751465 180.184723 19.0 180.213882 19.0 180.446182 18.0 180.464737 18.0 180.522522 22.0 180.855301 18.0 180.936783 49.0 181.029266 20.0 181.060303 800.0 181.177017 18.0 181.215286 18.0 181.282471 31.0 182.058578 41.0 182.719604 20.0 183.827713 17.0 184.058777 18.0 185.607468 17.0 185.630753 21.0 185.708191 33.0 186.655533 29.0 187.043137 18.0 189.034134 21.0 191.055969 87.0 191.500443 23.0 194.599854 19.0 197.053955 40.0 197.886963 18.0 199.388824 27.0 201.047562 17.0 203.210144 25.0 204.637222 61.0 205.035858 28.0 205.530014 17.0 205.681381 27.0 207.056793 35.0 208.13855 23.0 209.142029 20.0 209.406433 22.0 210.258408 18.0 213.167984 20.0 216.396759 35.0 216.787308 18.0 217.48378 17.0 217.544235 18.0 219.024597 44.0 219.050598 37.0 221.064438 94.0 221.259857 33.0 221.854752 18.0 224.337997 25.0 226.356094 20.0 227.407333 20.0 229.552612 24.0 229.812866 22.0 230.432434 63.0 231.758972 19.0 233.058151 17.0 237.328079 23.0 237.986725 18.0 239.076172 177.0 240.07016 22.0 242.619095 22.0 243.232864 36.0 243.377869 24.0 243.735809 26.0 244.833481 40.0 245.075912 17.0 245.986008 17.0 248.33786 27.0 249.063446 221.0 250.061371 17.0 250.82132 28.0 251.086899 64.0 252.083633 20.0 252.649811 19.0 252.912491 18.0 255.207092 18.0 255.660858 25.0 263.077667 43.0 264.07785 49.0 265.074188 20.0 266.561188 18.0 266.865662 20.0 267.035156 17.0 267.602875 22.0 270.3013 17.0 274.035858 26.0 277.275238 18.0 278.547546 23.0 278.859039 18.0 280.224609 19.0 281.085175 419.0 281.569611 20.0 282.084778 83.0 282.430267 20.0 282.59082 51.0 283.090027 22.0 287.91745 18.0 291.517426 40.0 306.249084 17.0 307.349762 22.0 310.378265 38.0 311.523346 18.0 315.738281 18.0 318.334198 20.0 319.208038 18.0 322.046753 23.0 322.121185 22.0 322.649872 20.0 322.747437 23.0 323.024628 71.0 323.097626 28028.716797 323.144836 30.433378 323.18158 52.0 323.262634 18.0 323.333618 18.0 323.419067 17.0 323.667084 19.0 323.77829 18.0 324.101257 4803.376465 325.102844 928.0 325.194244 17.0 325.460907 36.0 325.556183 23.0 326.103973 66.0 326.296753 18.0 326.753265 18.0 326.842682 18.0 334.60788 18.0 335.466675 18.0 335.964233 22.0 336.050659 42.0 336.113403 18.0 336.144318 22.0 336.183899 54.0 336.864075 17.0 336.905731 18.0 337.632996 20.0 337.917603 21.0 338.015167 19.0 338.821106 24.0 339.089203 19.0 339.224762 18.0 339.734314 38.0 339.963898 22.0 340.09549 20.0 340.619659 20.0 340.690613 18.0 340.72171 23.0 340.752106 38.394703 340.817017 17.0 340.846527 18.0 340.880463 18.0 340.93924 119.781021 340.975189 82.600517 341.020477 18.0 341.050018 36.0 341.108215 185518.953125 341.192993 10903.0 341.268158 56.638596 341.315247 2694.879395 341.374176 731.198853 341.409637 1333.080444 341.470551 128.0 341.558472 66.0 341.816437 35.0 341.882172 18.0 341.986816 35.0 342.027252 71.697433 342.064606 126.302567 342.112152 29531.585938 342.196472 1836.164917 342.285858 115.0 342.321075 378.610382 342.354889 122.989349 342.407806 38.0 342.43634 50.0 342.46994 27.0 342.71283 17.935377 342.738312 57.413631 342.792816 18.0 342.878845 35.0 342.987946 18.0 343.010773 17.0 343.052917 39.0 343.11319 8426.359375 343.202728 306.899506 343.234558 54.0 343.277618 35.0 343.308807 40.0 343.404419 25.0 343.477264 18.0 343.656616 19.0 343.803436 18.0 343.855713 18.0 343.95636 22.0 343.980042 20.0 344.002502 17.0 344.050262 86.0 344.117493 852.0 344.178711 26.0 344.240631 47.001438 344.273865 18.0 344.368286 18.0 344.40094 20.0 344.446716 23.0 344.75412 30.0 344.851898 20.0 345.086487 37.331192 345.119965 23.0 345.170959 18.0 345.248932 18.0 345.860748 18.0 345.987457 20.0 346.186829 17.0 346.245758 21.0 346.812653 18.0 346.94397 20.0 347.006073 17.0 347.237091 33.0 347.304352 38.0 347.470459 24.0 347.673401 18.0 347.768799 39.0 348.042603 60.0 348.61792 28.0 349.005829 22.0 349.233582 24.0 349.446594 22.0 349.658081 30.0 349.70993 18.0 349.88446 17.0 349.970032 22.0 350.049072 17.0 350.292633 22.0 350.522217 27.0 351.022705 45.0 355.322998 18.0 355.903717 23.0 359.065704 18.0 367.863922 23.0 368.866577 20.0 369.032562 37.0 369.103271 5192.933105 369.552887 17.0 370.108185 646.189514 371.105347 130.0 371.291168 22.0 372.105591 20.0 374.831635 18.0 376.378723 22.0 384.872833 18.0 385.330688 17.0 387.122864 29.0 390.007812 21.0 398.44281 18.0 400.902557 25.0 401.322845 22.0 401.491577 20.0 409.714478 20.0 414.99115 22.0 415.023682 36.0 415.108215 14639.0 415.200439 349.0 415.334808 23.0 415.40036 22.0 415.438751 23.0 415.755737 21.0 415.851288 20.0 416.009491 23.0 416.112 2809.0 416.175415 18.0 416.206146 29.730492 416.337372 21.0 416.387756 17.0 416.451538 20.0 417.110657 613.22522 417.350494 17.0 417.433411 20.0 417.552155 20.0 418.113068 99.0 418.253815 18.0 418.375702 38.0 418.425446 22.0 419.4245 17.0 419.777832 17.0 420.027313 41.0 420.16391 18.0 420.394958 18.0 425.663483 20.0 443.098816 20.0 444.090393 18.0 448.499847 23.0 458.578735 20.0 461.11145 17.0 472.037781 21.0 476.135742 22.0 479.650818 21.0 488.070496 18.0 503.721619 20.0 521.475342 18.0 552.721741 20.0 562.249817 28.0 562.870483 18.0 564.903503 18.0 576.319641 21.0 576.564697 27.0 579.018738 22.0 611.034668 22.0 630.334412 33.0 640.388733 35.0 650.82196 18.0 671.956848 24.0 675.776855 17.0 686.356995 18.0 688.735352 22.0 717.836853 18.0 744.962952 47.0 750.964478 21.0 752.956848 18.0 759.51593 21.0 759.918823 31.0 761.443115 20.000002 766.152832 20.0 767.238525 19.0 772.544678 20.0 777.195862 23.0 803.166138 29.0 841.155334 21.0 842.387634 18.0 842.822388 21.0 843.043152 22.0 843.348145 38.0 843.687439 22.0 844.485901 32.0 844.941772 19.0 844.991699 38.576454 845.516296 26.0 853.867432 26.0 869.336731 25.0 890.592957 22.0 897.124817 17.0 903.493347 32.0 918.103455 19.0 942.537476 25.0 1013.597717 24.0 1107.170654 20.0 1167.506592 18.0 END IONS BEGIN IONS SCANS=230 PEPMASS=459.1342 CHARGE=0 COLLISION_ENERGY=0.0 57.660522 18.0 58.135292 22.0 61.987427 306.0 66.527054 20.0 71.012489 41.0 72.989754 22.0 76.778374 18.0 80.278503 18.0 81.09127 18.0 81.19297 19.0 87.008667 502.0 87.376259 37.0 88.011581 197.0 88.064369 21.0 88.985893 41.0 89.023926 3500.999268 90.027 105.0 91.024223 20.0 99.470612 32.0 101.027084 32.0 105.052361 24.0 112.3153 18.0 115.952072 21.0 117.017387 21.0 119.035355 55.0 119.761734 18.0 122.431854 18.0 128.290649 18.0 129.380859 19.0 143.029007 17.0 147.482742 18.0 153.596588 24.0 156.383209 17.0 161.040451 19.0 166.50795 18.0 170.505493 20.0 179.054565 67.0 185.325027 23.0 194.613586 18.0 202.961609 18.0 213.703384 21.0 221.059875 29.0 229.963348 24.0 234.42186 20.0 234.439026 20.0 250.3806 18.0 255.076233 22.0 274.305054 19.0 279.107727 18.0 303.891083 18.0 340.516449 33.0 341.107697 396.0 350.140808 22.0 350.910278 20.0 353.420563 23.0 357.781036 22.0 377.086487 18.0 413.167969 25.0 417.910522 19.0 458.132385 39.0 459.134857 266.0 460.092102 32.991501 460.142761 145.008499 460.341797 20.0 461.32608 20.0 541.607849 19.0 566.903625 21.0 567.718567 18.0 658.262024 18.0 1001.92041 18.0 1155.91687 20.0 END IONS BEGIN IONS SCANS=231 PEPMASS=460.094 CHARGE=0 COLLISION_ENERGY=0.0 59.017658 26.0 61.988239 948.0 71.015404 22.0 85.027611 18.0 87.008728 217.0 88.009949 36.0 88.939285 25.0 88.986496 20.0 89.023712 3390.544922 90.02652 208.0 91.02684 18.0 92.110123 37.0 92.97403 21.0 113.018791 18.0 119.034241 47.0 131.032974 20.0 161.044342 20.0 179.056 18.0 224.798019 19.0 232.211121 18.0 237.177673 29.0 266.213196 24.0 273.277252 18.0 283.228851 18.0 323.10437 18.0 332.959869 31.0 340.227997 20.0 341.110199 248.0 391.533752 25.0 419.683105 19.0 421.255829 21.0 459.135956 162.0 460.102142 64.354317 460.130188 35.729816 462.10022 18.0 534.218262 17.0 613.808716 37.0 891.391602 20.0 1058.806641 29.0 END IONS BEGIN IONS SCANS=232 PEPMASS=457.11938 CHARGE=-1 COLLISION_ENERGY=0.0 61.987919 822.0 71.012169 20.0 76.45414 18.0 85.763458 21.0 86.013405 20.0 87.008163 6560.97168 87.11718 18.0 87.375381 36.0 87.986465 22.0 88.01226 225.0 88.985451 17.0 89.02404 4256.816895 89.052536 18.0 89.607437 17.0 89.759697 48.0 90.028236 137.0 90.103737 18.0 90.178429 21.0 90.777534 22.0 97.031609 18.0 98.937103 18.0 101.023575 41.0 115.649422 19.0 143.120804 18.0 143.557724 20.0 158.13591 18.0 160.107452 34.0 179.049164 18.0 179.062195 20.243073 180.059769 25.0 182.113388 20.0 196.027618 17.0 211.935928 18.0 229.32753 19.0 250.300919 26.0 267.358154 21.0 272.7901 24.0 299.456329 18.0 323.107849 80.0 339.710022 20.0 341.109802 451.0 342.108673 18.0 343.123627 18.0 344.498108 19.0 369.099762 21.0 452.754761 18.0 457.120758 333.0 457.237823 18.0 458.134125 34.0 459.134247 310.0 459.32663 67.0 460.089172 38.0 460.57135 18.0 475.344757 20.0 847.291992 68.0 937.398987 20.0 END IONS BEGIN IONS SCANS=233 PEPMASS=432.09907 CHARGE=-1 COLLISION_ENERGY=0.0 50.364166 22.0 52.344345 18.0 59.66465 18.0 61.111832 20.0 61.12215 38.0 61.244175 24.0 61.967293 18.0 61.98769 14870.623047 62.093395 18.0 62.227383 35.0 62.264938 18.0 62.356911 22.0 62.375622 20.0 62.438606 24.0 62.462254 18.0 62.496845 23.0 62.547619 19.0 62.722652 20.0 62.98822 99.0 63.003178 18.0 63.032005 23.0 63.330929 20.0 63.47913 18.0 63.531517 69.0 63.904678 17.0 63.992085 111.0 64.436272 18.0 65.971336 18.0 67.435585 18.0 68.847237 20.0 69.7939 20.0 70.260803 17.0 70.451378 18.0 71.84478 18.0 76.730789 32.0 78.302658 20.0 78.600868 17.0 78.729675 18.0 78.851006 26.0 79.278069 22.0 82.444748 22.0 82.904305 25.0 84.169128 18.0 85.03447 18.0 86.142502 17.0 87.009201 26.0 88.429764 22.0 88.8834 27.0 89.023857 37.0 90.029282 20.0 92.234306 20.0 93.652466 40.0 97.438057 20.0 100.333092 18.0 101.025505 22.0 103.07753 20.0 105.439186 18.0 105.976578 18.0 107.756058 17.0 107.962784 18.0 111.685783 26.0 113.793098 22.0 114.571205 18.0 115.008797 18.0 116.176048 20.0 117.555862 19.0 117.811058 23.0 117.857841 18.0 120.833252 52.0 123.299393 23.0 123.459763 17.0 124.441666 18.0 127.052399 21.0 127.923637 20.0 128.958862 18.0 129.070892 20.0 129.961075 18.0 130.981552 22.0 135.828918 20.0 144.127396 18.0 148.195038 17.0 155.706314 25.0 157.64386 22.0 158.19841 24.0 159.705902 20.0 164.943802 24.0 165.776611 18.0 166.053055 20.0 169.725067 20.0 170.748962 26.0 170.877792 18.0 171.103546 20.0 174.600433 19.0 174.971146 22.0 180.334152 18.0 181.053497 20.0 181.140305 32.0 181.466461 28.0 183.063629 18.0 188.001587 18.0 190.225967 17.0 191.028458 30.0 192.092575 18.0 198.213226 27.0 202.098129 21.0 202.789642 20.0 209.15033 36.0 210.15097 25.0 212.079224 18.0 218.552734 18.0 223.420822 18.0 226.131424 20.0 227.89505 18.0 233.839066 19.0 235.47702 18.0 240.05426 17.0 245.413574 30.0 248.073273 41.0 249.840057 33.0 251.369949 20.0 253.043045 23.0 253.211594 17.0 258.316833 18.0 259.549347 18.0 264.057739 40.0 265.146729 17.0 268.320709 22.0 270.102295 18.0 271.409302 27.0 273.27066 20.0 274.169312 19.0 277.965698 18.0 279.982025 18.0 287.932404 21.0 289.249603 25.0 293.182068 18.0 296.190277 28.0 311.474548 20.0 313.877014 67.0 322.114319 18.0 322.172058 18.0 327.013458 23.0 333.500671 27.0 335.911407 18.0 341.110291 213.0 342.113068 42.0 352.227112 17.0 360.674713 17.0 377.480347 23.0 383.489777 20.0 390.384674 18.0 392.416473 20.0 393.157654 18.0 405.082764 20.0 407.087372 21.0 413.185699 18.0 415.105042 120.0 416.11554 35.0 417.104858 82.0 425.060974 18.0 432.100006 3048.611084 433.100433 338.350586 434.0961 57.0 435.079651 41.0 435.114319 20.0 435.56604 18.0 435.641052 18.0 443.101257 82.0 444.054718 18.0 453.76416 17.0 454.112915 20.0 459.145813 22.0 460.083466 18.0 464.824036 26.999998 471.071259 41.0 471.14566 17.0 520.514587 18.0 521.385742 26.0 552.967834 19.0 554.097534 20.0 600.029907 23.0 607.733765 18.0 609.996521 20.0 614.063599 32.0 615.47821 26.999998 622.641235 19.0 655.615723 17.0 667.731445 17.0 767.20813 18.0 775.184814 18.0 775.677307 23.0 785.220703 17.0 795.052063 22.0 802.230225 23.0 823.17157 18.0 883.314209 17.0 963.232117 18.0 1016.849609 18.0 1038.014038 17.0 1039.10498 18.0 1044.988159 25.000002 1049.394165 38.0 1051.501953 24.0 1065.27417 34.0 1110.181641 23.0 1120.635498 17.0 1121.06897 18.0 1130.165894 26.0 1137.172119 22.0 1139.573486 19.0 1140.071289 17.0 1150.154907 25.0 1167.779175 25.0 1194.734131 27.0 END IONS BEGIN IONS SCANS=234 PEPMASS=166.0172 CHARGE=0 COLLISION_ENERGY=0.0 52.940052 19.0 63.145035 51.0 69.71772 18.0 70.332794 18.0 72.045601 36.0 75.914787 25.0 79.956627 1980.904907 80.229469 21.0 80.962296 393.0 81.951683 43.0 81.965263 41.782406 82.844742 22.0 82.956505 25.15811 82.964668 39.52412 84.007126 18.0 84.045898 36.0 90.863617 18.0 94.977249 27.0 95.049454 17.0 99.680779 20.0 100.040909 245.0 101.414871 34.0 102.055115 256.0 105.4701 18.0 106.980782 736.0 108.022354 17.0 108.972267 19.0 110.621834 19.0 110.854057 31.0 118.725014 24.0 123.144279 20.0 124.005661 282.0 125.998924 20.0 127.620224 21.0 128.095352 27.0 130.020538 18.0 133.65004 28.0 147.032288 26.0 149.024521 18.0 151.420029 18.0 152.967697 17.0 164.091583 20.0 165.044342 39.0 165.142487 23.0 166.018295 4248.0 166.054794 374.0 167.024094 245.0 167.054764 57.0 168.013397 174.0 168.052155 20.0 171.981293 21.0 181.074539 18.0 185.342728 18.0 189.918991 20.0 201.03157 28.0 201.708725 20.0 227.08226 17.0 235.363892 19.0 245.939926 19.0 377.013245 21.0 423.912231 21.0 567.845947 20.0 END IONS BEGIN IONS SCANS=235 PEPMASS=432.09898 CHARGE=-1 COLLISION_ENERGY=0.0 51.720558 17.0 54.766155 18.0 55.488762 36.0 56.016346 21.0 59.225986 20.0 59.30801 20.0 60.091984 24.0 61.405525 18.0 61.987499 3574.085449 62.178215 20.0 62.435204 17.0 62.899315 22.0 63.651154 31.0 63.993492 75.0 64.863289 24.0 68.656235 18.0 69.344826 18.0 69.489365 21.0 69.523399 22.0 70.086349 17.0 72.079437 18.0 72.991936 19.0 73.17852 19.0 73.381027 18.0 74.026779 18.0 78.588593 18.0 78.957924 18.0 79.77179 33.0 81.521194 28.0 82.909447 21.0 83.495453 18.0 88.068375 20.0 90.371666 17.0 90.845085 18.0 93.805023 20.0 99.270203 18.0 104.920067 26.0 106.2024 18.0 114.010338 24.0 117.032578 29.0 119.515076 22.0 124.212784 18.0 124.252937 18.0 127.621223 18.0 128.029022 18.0 129.974442 18.0 130.742844 20.0 136.408035 24.0 141.274185 17.0 142.375565 18.0 142.45842 18.0 146.823196 20.0 146.96492 56.0 149.792206 21.0 154.630676 24.0 156.483841 22.0 162.6828 26.0 162.912018 25.0 162.934479 58.0 165.052948 17.0 166.048874 19.0 168.841217 18.0 169.002151 25.0 170.924835 22.0 182.568283 45.0 188.437027 21.0 190.880615 21.0 192.68924 17.0 193.165878 20.0 195.583252 28.0 204.205368 18.0 207.922836 36.0 208.766251 20.0 210.00946 21.0 214.003235 26.0 217.991455 23.0 220.857574 20.0 222.752228 17.0 223.873184 22.0 225.117981 17.0 225.922302 19.0 227.182663 17.0 227.340485 19.0 227.924805 18.0 229.78476 17.0 233.171768 22.0 234.279953 21.0 235.041077 20.0 238.97348 18.0 238.991013 35.0 241.83902 18.0 243.023834 28.0 243.088928 20.0 244.773926 18.0 248.015518 17.0 248.919922 17.0 251.793488 47.0 257.122864 27.0 263.061951 22.0 265.151367 18.0 265.313843 18.0 265.718079 22.0 271.900909 19.0 277.642975 27.0 278.595398 22.0 283.07843 18.0 285.046387 17.0 288.073639 17.0 292.096954 17.0 292.815155 23.0 294.655457 21.0 301.019501 18.0 313.616119 17.0 319.736755 17.0 325.693359 19.0 325.941956 17.0 328.03952 20.0 329.565186 18.0 340.748901 28.0 347.769836 20.0 356.789398 18.0 364.116272 33.0 372.044342 22.0 374.022156 18.0 379.031433 55.0 385.029572 21.0 397.832672 19.0 400.002075 18.0 403.208405 17.0 403.328552 29.0 408.444458 18.0 426.102203 24.0 432.039948 20.0 432.101257 915.538208 433.102753 160.0 433.863068 17.0 434.098206 58.0 435.106842 18.0 443.504181 42.0 443.668884 47.0 450.203918 19.0 452.931671 18.0 453.778961 18.0 470.792206 18.0 486.825592 18.0 487.130829 20.0 512.23761 20.0 518.954956 17.0 522.55365 25.0 524.326294 32.0 532.381042 33.0 592.352478 18.0 643.66626 17.0 651.749634 19.0 663.019165 18.0 709.738831 25.0 714.517822 24.0 770.413879 18.0 809.512512 18.0 811.428162 20.0 904.923645 20.0 950.54126 29.0 984.906006 31.0 987.82074 18.0 989.671204 21.0 1010.154663 40.0 1034.453613 18.0 1042.83374 18.0 1067.605957 20.0 1077.565796 27.0 1098.939697 26.000002 1136.991089 20.0 1141.284668 23.0 1173.411377 37.0 1178.425659 17.0 END IONS BEGIN IONS SCANS=236 PEPMASS=415.10868 CHARGE=0 COLLISION_ENERGY=0.0 53.588306 21.0 55.018669 20.0 55.817753 18.0 57.033695 30.0 58.724167 18.0 59.013477 429.0 59.452126 24.0 61.971394 18.0 61.98859 21.0 62.87994 20.0 65.938477 19.0 69.098274 20.0 70.861031 20.0 71.014534 417.0 71.532425 17.0 74.137108 47.0 82.453949 18.0 82.646332 28.0 84.006157 17.0 84.442268 27.0 85.028641 17.0 85.299393 18.0 86.774513 33.0 87.006706 81.0 88.015907 19.0 88.451637 18.0 88.981834 19.0 89.023605 1672.188599 89.188148 21.0 89.326279 20.0 89.850197 18.0 90.028236 138.0 90.338516 20.0 90.664818 18.0 91.026596 25.0 98.688087 18.0 98.758125 18.0 99.549255 18.0 100.040466 25.0 100.348 18.0 100.889336 23.0 100.961823 20.0 101.0242 1316.560181 102.028786 61.0 102.991081 18.0 103.193687 30.0 109.046364 30.0 110.104622 19.0 110.879417 20.0 112.367126 24.0 112.983772 18.0 113.024666 623.0 114.031174 18.0 114.50061 18.0 117.888718 20.0 118.270828 22.0 119.035027 1728.934692 120.040428 56.0 120.759102 18.0 121.028786 25.0 123.07682 27.0 125.02533 65.0 128.072311 20.0 128.658112 18.0 130.966202 20.0 131.033829 164.0 132.039322 18.0 135.031555 20.0 140.040268 18.0 140.503494 24.0 141.015961 17.0 143.035217 227.0 144.037613 46.0 145.032761 19.0 146.927383 18.0 148.941971 41.0 149.04335 219.0 150.048233 44.0 150.12912 21.0 157.99028 40.0 159.025848 20.0 159.938797 17.0 161.047134 526.0 162.047867 26.0 162.933136 20.0 164.040298 22.0 166.052734 59.0 167.050827 21.0 171.395584 18.0 172.943787 22.0 173.055435 17.0 175.909592 21.0 179.055695 2424.079102 179.885132 22.0 180.061127 189.939636 181.060623 40.0 183.135376 23.0 183.818542 17.0 185.974091 23.0 187.092484 19.0 189.0336 28.0 189.443573 21.0 189.523117 17.0 194.532761 18.0 197.027756 20.0 197.095337 19.0 198.982071 17.0 203.989258 20.0 205.059372 18.0 205.99028 17.0 209.923599 18.0 210.733994 18.0 211.035812 18.0 211.535706 53.0 215.033234 24.0 215.629913 18.0 218.139664 26.0 221.070618 23.0 221.924591 20.0 222.069839 30.0 223.261948 22.0 224.040253 20.0 226.882767 19.0 226.991104 18.0 227.386932 24.0 230.863327 18.0 232.166122 20.0 234.703598 29.0 235.934845 18.0 236.003067 43.0 236.057907 50.0 236.96756 18.0 238.078613 17.0 238.67366 20.0 239.157913 18.0 240.114685 23.0 240.876007 20.0 244.009598 47.0 244.895538 23.0 245.8591 19.0 246.861954 18.0 248.998611 18.0 251.927353 18.0 256.809021 31.0 258.595428 17.0 258.972076 18.0 263.06073 22.0 267.053528 20.0 269.515167 20.0 270.286621 18.0 274.900146 32.0 278.944794 18.0 281.058868 23.0 282.112518 20.0 283.92041 30.0 283.970795 22.0 285.143951 17.0 291.112518 18.0 292.91272 21.0 299.008972 31.0 308.441071 21.0 313.777588 25.0 313.918335 24.0 316.941376 20.0 320.938904 26.0 322.803131 20.0 323.098572 89.0 323.321716 18.0 324.116577 36.0 328.118958 18.0 328.807465 25.0 331.079468 22.0 332.697449 70.0 333.021271 25.0 333.104858 32.0 336.158142 18.0 337.975586 18.0 340.089508 19.0 340.772186 24.0 341.109283 8948.986328 342.112396 1417.0 342.240906 28.0 342.500702 20.0 343.113556 380.0 344.117706 41.0 347.151581 17.0 347.345306 18.0 350.417267 21.0 350.798431 18.0 358.08847 28.0 361.39624 22.0 368.0466 19.0 370.102631 17.0 370.99707 21.0 371.034515 18.0 372.251526 23.0 397.783661 20.0 415.110199 612.0 415.197266 27.0 416.011597 18.0 416.110626 184.0 416.283813 23.0 417.106659 53.0 417.295746 19.0 417.873718 20.0 433.997192 18.0 440.777832 18.0 450.706055 20.0 463.065857 17.0 476.327789 26.0 476.804199 18.0 512.464172 20.0 516.672668 18.0 544.213318 32.0 567.170471 23.0 626.167786 22.0 646.555786 18.0 750.825195 20.0 754.949524 19.0 766.896851 22.0 783.978149 17.0 920.317444 20.0 1000.540649 22.0 END IONS BEGIN IONS SCANS=237 PEPMASS=405.07983 CHARGE=0 COLLISION_ENERGY=0.0 52.721935 20.0 59.012989 34.0 61.989079 19.0 62.03014 37.0 71.015572 41.0 80.914505 22.0 81.019073 22.0 85.509644 20.0 88.684975 20.0 99.09346 27.0 99.924919 18.0 100.931534 17.0 101.021721 20.0 103.031181 20.0 109.040596 22.0 110.104675 29.0 111.534416 19.0 116.928688 22.0 119.036316 17.0 126.066528 22.0 129.93779 17.0 133.086853 20.0 136.061966 18.0 142.335587 25.0 143.033569 38.0 144.965805 22.0 148.862076 18.0 150.914536 43.0 151.021179 20.0 154.955673 30.0 159.023132 19.0 159.252808 19.0 161.045792 39.0 170.97348 18.0 179.058517 22.0 180.128113 23.0 183.891159 20.0 184.390656 23.0 187.974136 41.0 192.312149 18.0 193.972748 17.0 194.898544 18.0 196.909607 23.0 201.861465 24.0 202.072342 17.0 203.928024 23.0 209.957077 18.0 210.947784 22.0 214.021942 18.0 214.312775 17.0 214.988342 26.0 215.03241 18.0 216.788467 22.0 225.08812 24.0 225.126541 20.0 227.116501 23.0 227.880051 19.0 228.065323 18.0 231.564041 20.0 233.908081 17.0 235.13472 18.0 236.882645 25.0 236.992493 22.0 240.909225 21.0 242.051788 20.0 249.043549 17.0 250.835739 17.0 254.826981 17.0 258.229218 18.0 258.509735 17.0 259.756409 37.0 260.88855 23.0 262.9758 20.0 264.83075 29.0 273.968811 20.0 274.998047 17.0 279.00589 17.0 286.637421 30.0 287.032501 20.0 292.911469 21.0 293.904663 29.0 308.987122 18.0 309.095764 21.0 310.079193 18.0 310.918152 33.0 312.339874 21.0 312.91391 17.0 325.188202 39.0 334.868591 18.0 341.108368 235.0 343.139465 45.0 365.115356 20.0 386.160522 17.0 404.22879 20.0 405.08136 673.754272 406.078613 37.0 406.898834 18.0 407.085144 218.0 408.051025 38.0 408.082581 20.0 408.145966 20.0 408.973389 21.0 409.08905 18.0 409.21521 18.0 410.003479 24.0 507.283783 21.0 596.963684 19.0 606.647095 18.0 633.391357 20.0 709.312073 44.0 741.506042 18.0 807.070435 27.0 988.437744 30.000002 END IONS BEGIN IONS SCANS=238 PEPMASS=451.02811 CHARGE=-1 COLLISION_ENERGY=0.0 50.952381 20.0 51.593925 19.0 51.836639 18.0 52.508675 29.0 53.952198 28.0 56.190266 18.0 56.377182 18.0 57.133396 20.0 57.200218 18.0 59.013626 20.0 59.823532 22.0 60.427353 19.0 60.739429 21.0 62.994667 18.0 63.370934 17.0 65.582611 22.0 65.595627 38.0 66.873833 30.0 66.912445 18.0 68.864128 30.0 69.158363 17.0 70.293045 26.0 70.994415 21.0 71.009232 17.0 71.420059 21.0 75.244522 21.0 76.524963 18.0 78.133301 17.0 78.921204 106.0 79.738495 18.0 80.494186 20.0 80.877449 18.0 80.916069 667.0 80.966919 18.0 82.42144 30.0 82.71386 23.0 83.020439 18.0 83.144432 20.0 84.008415 186.0 84.034943 17.0 85.528259 18.0 87.038315 24.0 88.231354 18.0 89.021126 35.0 90.243332 18.0 90.347008 18.0 90.625 20.0 91.355118 22.0 99.890793 36.0 101.023132 41.0 101.3283 26.0 104.116898 20.0 107.077309 17.0 107.25042 22.0 112.173317 20.0 114.242111 26.0 115.016899 18.0 116.211494 33.0 116.924866 44.0 117.194328 20.0 118.871201 20.0 119.038635 81.0 125.943832 17.0 129.015884 20.0 130.455856 17.0 136.878021 25.0 137.618591 18.0 138.712097 30.0 154.062912 26.0 154.275208 20.0 158.427994 35.0 158.789703 18.0 158.862076 24.0 160.431976 18.0 160.973206 20.0 163.016113 28.0 165.955215 21.0 167.87439 38.0 172.913467 20.0 173.057449 31.0 179.061096 21.0 179.858795 23.0 186.034515 17.0 186.875916 17.0 188.734222 18.0 192.873077 18.0 199.856384 17.0 208.071182 18.0 223.779266 18.0 233.147125 18.0 233.671494 17.0 242.054138 18.0 251.536942 18.0 252.841324 17.0 256.18042 20.0 261.97406 21.0 267.009003 20.0 267.874237 21.0 268.083221 17.0 285.883911 18.0 286.678925 17.0 286.798401 22.0 294.54129 38.0 294.995148 21.0 307.889923 29.0 311.65744 25.0 315.980957 18.0 323.919464 32.0 339.908264 33.0 341.113403 230.0 342.099854 29.0 345.381683 18.0 345.865906 42.0 347.885406 18.0 357.45163 17.0 383.016602 23.0 390.611298 33.0 407.09201 27.0 415.108551 46.0 424.027191 20.0 432.517517 17.0 443.413361 23.0 448.457703 18.0 450.262024 18.0 451.025543 209.0 451.411652 31.0 452.013611 18.0 454.110535 35.0 501.611877 18.0 511.18335 26.0 555.488403 31.0 575.611389 23.0 617.635193 22.0 624.715942 20.0 793.656006 35.0 807.970032 17.0 1021.049561 18.0 1041.098999 19.0 1137.947876 24.0 1150.283813 24.0 1156.289062 17.0 1159.961182 74.0 1167.552124 20.0 1181.574219 18.0 1183.329712 22.0 1185.78125 17.0 END IONS BEGIN IONS SCANS=239 PEPMASS=382.09961 CHARGE=-1 COLLISION_ENERGY=0.0 50.27673 18.0 50.302788 39.0 51.773502 18.0 51.963039 18.0 54.820164 57.0 55.403461 22.0 55.984409 22.0 56.516308 25.0 57.436916 20.0 59.955742 26.0 60.092346 18.0 60.711815 20.0 61.387268 18.0 62.02206 30.0 62.758888 21.0 62.798698 18.0 64.196671 22.0 64.722298 24.0 66.475723 24.0 67.339523 20.0 69.540329 19.0 69.899231 18.0 70.634636 20.0 71.013069 462.0 74.09166 30.0 77.197929 18.0 77.351036 27.0 77.57589 63.0 78.809258 21.0 80.443565 27.0 82.147354 18.0 83.914162 24.0 84.40078 19.0 84.830856 18.0 86.557404 23.0 87.775162 18.0 87.796478 18.0 89.036537 20.0 92.460449 20.0 92.716736 22.0 94.776489 18.0 98.691727 20.0 101.000679 18.0 101.018463 18.0 106.024879 21.0 107.033661 21.0 107.449287 25.0 113.022987 36.0 115.002632 3223.0 115.348808 18.0 115.371429 18.0 116.007553 134.0 116.055634 21.0 116.14035 18.0 116.188545 17.0 117.012367 20.0 117.389145 22.0 117.40435 18.0 117.923714 18.0 119.033989 60.0 119.286636 17.0 121.124107 25.0 124.598679 22.0 125.147514 22.0 128.333984 29.0 129.289383 26.0 129.485077 25.0 129.56752 45.0 133.050674 24.0 134.046402 11818.824219 134.087128 23.553818 134.098663 20.0 134.751495 18.0 135.047577 1231.672363 135.273483 20.0 135.871552 17.0 136.045715 18.0 138.836914 21.0 139.894119 24.0 140.019699 29.0 141.68956 17.0 142.011139 20.0 145.009552 22.0 146.043243 38.0 150.298096 21.0 151.249374 23.0 152.034897 18.0 153.016754 29.0 153.166962 18.0 153.513519 18.0 153.594009 20.0 154.13884 21.0 155.217148 20.0 156.119339 21.0 159.993729 20.0 160.059631 41.0 161.069473 32.0 162.077972 1483.494019 162.107483 20.0 163.080414 190.0 165.971893 18.0 166.427872 24.0 167.460281 21.0 168.027664 20.0 172.953644 17.0 176.038864 24.0 176.059906 17.0 178.929916 19.0 179.899307 20.0 184.243622 17.0 184.795715 38.0 185.029495 20.0 185.05426 36.0 186.070084 37.0 187.65361 20.0 188.054474 256.0 188.258835 19.0 189.060562 78.0 204.862946 33.0 205.280518 22.0 206.067078 10835.844727 207.011765 21.0 207.032547 27.0 207.070984 754.0 208.069595 36.0 208.885162 24.0 211.94136 18.0 213.027008 17.0 213.158295 18.0 221.465546 18.0 228.023499 17.0 232.046921 225.0 232.893753 18.0 233.04689 77.0 241.995865 19.0 242.249466 18.0 243.879242 24.0 247.513153 29.0 248.128479 17.0 250.055481 1301.0 251.060211 182.0 252.060776 36.0 254.195343 18.0 265.961426 17.0 266.08783 1946.951782 267.088409 132.377472 268.097961 20.0 271.815918 42.0 272.275269 18.0 290.08667 23.0 290.219238 20.0 291.954163 30.0 292.119873 20.0 303.842896 18.0 305.94223 33.0 312.106079 24.0 317.639862 24.0 320.057495 18.0 320.373566 21.0 322.625122 22.0 323.09021 23.0 324.12027 18.0 329.965637 18.0 338.105835 35.0 339.043701 20.0 339.123291 20.0 343.517303 18.0 346.921875 17.0 347.512268 25.0 352.190918 20.0 353.060059 20.0 356.328705 17.0 364.088928 46.0 364.620026 20.0 374.11264 22.0 377.362 23.0 377.589813 17.0 381.371124 20.0 381.922791 20.0 382.098206 6632.011719 382.390076 18.0 382.527588 18.0 383.101349 986.0 384.102386 140.0 384.820923 23.0 385.104492 34.0 415.118439 27.0 417.987 18.0 432.102448 36.0 437.965332 20.0 444.579681 19.0 450.945007 22.0 451.756531 20.0 469.377197 20.0 487.024292 55.0 501.599487 18.0 507.029694 23.0 536.157532 18.0 585.254883 19.0 625.946106 18.0 628.072876 19.0 660.941284 18.0 785.0979 18.0 925.123047 22.0 1012.526428 17.0 1013.455017 17.0 1048.136108 20.0 1049.995972 20.0 1062.332642 18.0 1099.06958 22.0 1129.990479 33.0 1171.228882 18.0 END IONS BEGIN IONS SCANS=240 PEPMASS=432.09896 CHARGE=-1 COLLISION_ENERGY=0.0 50.710442 17.0 51.013088 18.0 51.374638 17.0 53.95401 21.0 55.79707 18.0 56.691338 19.0 57.882256 19.0 59.222145 20.0 59.286152 19.0 59.313843 20.0 59.686314 18.0 60.258759 18.0 61.902771 17.0 61.987679 6013.57666 62.211887 18.0 62.254662 21.0 62.380096 28.0 62.398937 19.0 62.587326 18.0 62.627533 17.0 62.714111 17.0 62.84948 22.0 62.98621 36.0 62.993679 30.0 63.133739 27.0 63.158535 28.0 63.314987 17.0 63.729832 34.0 63.892612 27.0 63.994389 67.0 64.532196 20.0 65.762749 24.0 66.17057 33.0 66.575905 18.0 67.323441 21.0 72.517548 18.0 73.55925 23.0 74.974564 18.0 77.473312 18.0 79.623085 18.0 80.609283 20.0 81.009071 30.0 81.394196 25.0 82.169113 28.0 82.598175 27.0 83.558189 34.0 83.797859 18.0 85.485237 18.0 87.782646 20.0 88.714874 18.0 88.912407 19.0 92.438721 25.0 94.689682 17.0 95.54744 26.0 96.040413 22.0 98.962257 18.0 101.679108 20.0 104.832436 18.0 105.714828 19.0 107.27124 19.0 108.441711 27.0 111.830078 18.0 113.954803 40.0 116.934967 25.0 117.390594 17.0 120.439323 23.0 130.874619 24.0 134.637466 18.0 134.867264 24.0 137.915146 18.0 140.388931 27.0 145.285065 25.0 148.115295 24.0 150.41011 18.0 155.013275 25.0 155.097 21.0 158.596817 17.0 160.978668 18.0 166.261581 20.0 169.449722 20.0 171.189087 30.0 173.74762 20.0 177.26416 20.0 178.780548 18.0 180.605743 17.0 183.133408 18.0 184.974533 17.0 188.36676 18.0 189.023376 24.0 189.163895 17.0 190.79425 20.0 192.493271 24.0 198.431793 30.0 202.879776 22.0 209.379242 23.0 210.229507 19.0 215.965424 17.0 217.736801 24.0 217.796417 18.0 221.908493 17.0 223.873245 18.0 225.856598 22.0 226.926712 18.0 228.145798 23.0 230.214981 18.0 234.091583 34.0 239.99762 18.0 241.724396 18.0 242.019928 18.0 242.982529 18.0 243.884583 36.0 243.991806 34.0 246.873535 24.0 247.372253 18.0 259.757629 18.0 266.793488 21.0 268.879486 18.0 272.869629 20.0 278.086365 18.0 291.316986 17.0 294.109131 18.0 296.883331 26.0 299.014038 33.0 301.847565 20.0 304.676971 18.0 307.399139 18.0 323.469818 25.0 326.08316 21.0 326.983795 18.0 334.920837 32.0 335.731171 18.0 337.67868 17.0 337.718048 20.0 338.941345 19.0 339.149963 19.0 339.868805 31.999998 341.111603 20.0 344.048553 22.0 344.192505 26.0 344.453217 17.0 352.878601 18.0 358.081177 18.0 368.822174 28.0 370.149902 27.0 371.983093 18.0 373.922791 19.0 373.99585 18.0 375.773529 22.0 387.558014 29.0 405.082123 78.0 406.088165 82.0 431.135803 19.0 432.097229 958.581177 433.108459 82.0 434.103333 59.0 434.304352 19.0 447.743988 18.0 477.764069 18.0 505.018616 21.0 505.580353 23.0 517.331848 19.0 537.114868 20.0 553.074341 18.0 582.071289 24.0 615.064819 17.0 639.800415 24.0 653.072571 28.0 668.270203 20.0 678.989075 20.0 686.766846 17.0 735.511597 32.0 775.186951 38.0 791.882935 26.0 883.431763 43.0 918.397705 19.0 920.930359 18.0 929.121094 17.0 954.996765 26.999998 958.131592 18.0 963.477539 24.0 971.62207 24.0 1011.438477 25.0 1018.629272 25.0 1062.843384 33.0 1075.942261 18.0 1078.032593 19.0 1078.2323 20.0 1082.022583 17.0 1090.435547 18.0 1111.120483 22.0 1128.987549 18.0 1137.196533 22.0 1150.000122 18.0 1157.212646 21.0 1167.812134 17.0 1171.097168 55.0 1180.531006 18.0 1183.790771 24.0 1188.728027 17.0 1192.034424 17.0 1193.187988 20.0 END IONS BEGIN IONS SCANS=241 PEPMASS=415.10853 CHARGE=-1 COLLISION_ENERGY=0.0 50.163105 20.0 50.893944 20.0 53.082939 18.0 54.081947 19.0 54.134632 28.0 54.422558 18.0 55.50745 25.0 55.598408 19.0 56.45853 18.0 58.584396 18.0 58.829842 18.0 59.01363 283.0 59.697777 18.0 60.479706 18.0 60.63921 18.0 60.821751 17.0 62.016468 25.0 66.851967 18.0 68.437691 19.0 71.013832 369.0 73.025848 17.0 74.032578 20.0 74.360046 20.0 75.632614 21.0 77.509079 17.0 79.132362 41.0 80.906693 18.0 82.071739 24.0 82.588844 34.0 83.013344 20.0 84.872002 21.0 85.13015 18.0 85.215103 28.0 85.241508 24.0 87.008575 116.0 89.02346 1188.0 89.352097 20.0 90.027664 40.0 92.283752 26.0 94.316292 19.0 96.525276 18.0 96.865211 20.0 98.445473 18.0 101.024132 796.0 102.021896 20.0 102.032623 18.0 102.702217 18.0 102.857292 28.0 103.72644 37.0 106.322029 18.0 108.841682 22.0 113.025833 338.0 114.024399 20.0 116.928741 19.0 117.192123 17.0 117.504471 34.0 117.651062 21.0 119.01651 30.818996 119.035088 1050.137939 119.782005 22.0 120.04306 20.0 125.027435 44.0 128.510727 20.0 128.95459 20.0 129.0224 30.0 131.033493 124.0 142.031143 18.0 143.006149 18.0 143.035782 183.0 143.901886 17.0 145.706757 21.0 148.717957 29.0 149.046936 247.0 150.044449 56.0 150.343292 20.0 151.353165 23.0 157.006424 29.0 161.045319 366.0 163.731674 29.0 168.128342 20.0 172.537491 18.0 173.97757 25.0 176.061676 18.0 177.899887 17.0 177.95015 23.0 179.056107 1765.0 180.034973 22.0 180.059891 168.0 181.055267 20.0 182.778732 17.0 197.948853 25.0 201.617722 23.0 204.422974 18.0 205.666092 17.0 208.662567 22.0 212.432327 20.0 215.114746 20.0 222.026489 18.0 224.321365 19.0 232.205566 19.0 236.063034 50.0 237.348846 20.0 247.388214 24.0 253.203308 18.0 257.055389 21.0 258.983765 35.0 260.650452 18.0 272.995483 18.0 274.89859 24.0 279.98468 20.0 281.008942 20.0 281.09613 19.0 291.585144 22.0 310.91333 25.0 311.760956 18.0 311.788422 28.0 317.008575 23.0 317.277069 18.0 323.099731 97.0 323.189575 18.0 340.684387 20.0 340.886688 21.0 341.109406 6059.914062 342.112823 999.0 343.117859 108.068901 344.113922 44.0 344.534943 18.0 345.077179 20.0 352.503601 17.0 357.542938 18.0 361.251617 20.0 369.10733 23.0 371.110016 19.0 372.141235 18.0 373.129059 23.0 383.115723 21.0 387.104584 44.0 397.961395 17.0 405.084778 40.0 408.081757 25.0 415.110321 1033.0 416.115265 116.0 417.119293 107.0 417.16745 18.0 417.209656 28.0 420.893188 18.0 432.100342 58.0 443.752899 38.0 449.979828 18.0 492.107422 18.0 502.107635 55.0 529.845459 18.0 543.245483 19.0 586.929565 24.0 621.996948 18.0 623.202759 19.0 745.469849 28.0 844.080322 18.0 846.456482 33.0 898.91571 18.0 952.534912 36.0 979.078064 25.0 985.932739 24.0 989.91095 25.0 1053.103638 38.0 1062.051636 20.0 1077.11853 22.0 1078.542725 25.0 1088.033447 18.0 1127.205811 31.0 1193.734985 29.0 1197.060425 17.0 END IONS BEGIN IONS SCANS=242 PEPMASS=145.01354 CHARGE=0 COLLISION_ENERGY=0.0 50.344776 21.0 50.800522 21.0 55.017262 21.0 55.908821 17.0 56.497871 18.0 57.033466 158.0 58.380756 43.0 62.123943 19.0 62.559521 20.0 63.752617 20.0 64.495575 20.0 65.31897 23.0 66.198479 20.0 66.730881 42.0 68.65831 17.0 69.099922 19.0 69.213844 23.0 70.509842 20.0 73.027763 101.0 79.960426 25.0 80.521065 18.0 81.226349 22.0 81.92083 20.0 83.013916 42.0 83.660538 27.0 84.805511 55.0 85.029099 354.0 85.11557 17.0 85.558144 20.0 86.480469 18.0 87.050957 18.0 87.289795 19.0 88.504791 55.0 89.01265 29.0 89.876083 18.0 93.82428 17.0 93.842621 20.0 94.255188 22.0 95.179733 20.0 96.296448 44.0 98.830925 30.999998 99.016258 17.0 99.259163 22.0 99.925339 100.0 100.784607 28.0 100.932014 475.125397 101.023781 1851.142578 101.932556 50.0 102.026047 130.0 103.038147 279.0 103.615128 21.0 104.038452 42.0 104.698471 18.0 106.145866 17.0 112.965813 25.0 116.926476 20.0 119.343163 17.0 121.025925 20.0 122.352043 26.0 123.258759 21.0 123.662727 29.0 124.491051 20.0 128.432297 23.0 129.018173 1141.0 130.022705 76.0 130.548676 18.0 131.992584 60.0 132.534668 19.0 135.263016 19.0 137.585434 18.0 139.137573 22.0 141.213943 18.0 144.922836 20.0 145.011963 544.0 145.035522 25.0 146.016464 112.0 146.387573 34.0 146.897964 17.0 146.938721 20.0 147.031769 180.0 147.064911 17.0 151.100952 17.0 154.230927 20.0 155.776947 26.0 162.008469 18.0 166.855377 20.0 173.916214 17.0 176.135742 18.0 177.842758 34.0 178.78447 30.0 184.602417 28.0 196.599197 24.0 200.180634 24.0 203.193817 22.0 205.089874 22.0 210.456467 18.0 212.409256 17.0 216.038849 18.0 217.023148 18.0 218.704224 17.0 225.639648 21.0 228.960205 18.0 232.605728 18.0 233.117859 26.0 233.153534 19.0 234.607666 32.0 242.120911 18.0 250.53714 18.0 255.964813 22.0 256.378906 18.0 264.169556 18.0 285.064148 20.999998 286.001801 26.0 297.082703 25.0 311.4375 21.0 335.266571 31.0 335.865601 25.0 337.471039 19.0 340.804932 22.0 342.123291 28.0 347.070251 20.0 376.774994 18.0 379.257538 17.0 396.020538 20.0 405.893555 19.0 407.085785 26.0 407.253845 22.0 422.779602 18.0 453.969238 21.0 469.930939 18.0 496.111267 18.0 518.825439 19.0 551.152283 18.0 553.089294 26.0 601.952209 25.0 710.761475 19.0 719.734863 17.0 736.161316 18.0 769.792419 17.0 812.918762 32.0 823.27356 18.0 859.766235 19.0 864.830933 29.0 878.039001 19.0 899.405273 18.0 900.793762 35.0 914.970459 21.0 932.918335 22.0 935.815247 23.0 946.73291 27.0 968.430542 26.0 986.943054 18.0 999.219238 22.0 1016.243408 18.0 1021.857483 23.0 1040.396729 31.0 1043.95105 22.0 1056.739746 18.0 1072.255981 18.0 1081.77356 21.0 1094.716187 18.0 1098.922852 20.0 1117.794312 27.0 1127.45813 21.0 1133.324829 18.0 1138.184204 30.999998 1143.840454 23.0 1148.8927 18.0 1150.073364 37.0 1155.635864 17.0 1157.365601 38.0 1159.910767 18.0 1164.805176 18.0 1171.462769 21.0 1173.337646 20.0 1173.84668 18.0 1178.345703 17.0 END IONS BEGIN IONS SCANS=243 PEPMASS=515.12484 CHARGE=0 COLLISION_ENERGY=0.0 50.836136 23.0 57.034172 78.0 59.346989 20.0 61.988911 17.0 95.084061 21.0 96.211906 18.0 98.160507 22.0 99.831146 22.0 100.932236 63.0 101.023849 1791.0 102.027016 114.0 103.033195 64.0 129.022751 39.0 136.172623 18.0 136.863342 26.0 142.943634 20.0 143.790878 18.0 144.925659 93.432388 145.014282 7642.26416 145.352722 18.0 145.407837 18.0 146.016876 412.0 146.077393 21.0 146.259811 41.0 146.804764 24.0 147.029007 612.25293 148.033173 66.733841 149.614288 18.0 159.9366 20.0 162.977951 18.0 164.066193 24.0 190.896042 18.0 200.936462 18.0 212.893097 19.0 259.931641 28.0 261.016174 18.0 266.116638 17.0 310.157837 21.0 311.924591 19.0 312.752045 23.0 323.357147 17.0 337.911652 29.0 342.187805 18.0 342.845978 18.0 344.22406 21.0 348.942657 22.0 351.004364 18.0 352.07077 21.0 359.773132 17.0 368.757507 26.0 370.353546 17.0 373.799835 18.0 375.536133 20.0 377.089813 28.0 377.782104 22.0 382.10675 18.0 425.98053 18.0 435.146118 18.0 456.13092 23.0 466.999603 35.0 468.028168 18.0 471.038727 17.0 474.107941 17.0 516.119446 21.0 517.168274 20.0 570.636047 20.0 572.310852 20.0 641.990845 23.0 791.732422 18.0 803.729675 18.0 861.846191 20.0 984.5849 18.0 END IONS BEGIN IONS SCANS=244 PEPMASS=405.07963 CHARGE=-1 COLLISION_ENERGY=0.0 51.008179 18.0 51.661457 18.0 52.303787 24.0 52.522896 18.0 52.600063 18.0 53.108467 38.0 53.785713 20.0 53.881268 18.0 57.234005 20.0 57.316853 25.0 57.648895 34.0 59.282867 19.0 59.922695 18.0 62.946495 23.0 63.416328 30.0 65.90065 21.0 66.080208 18.0 66.690727 28.0 66.925613 22.0 67.085228 20.0 71.201683 18.0 71.918076 18.0 75.19384 18.0 75.287445 17.0 81.087593 18.0 81.654053 19.0 85.431877 17.0 86.91552 17.0 88.437309 22.0 89.029076 27.0 89.991432 27.0 91.089233 27.0 93.331451 17.0 95.741051 17.0 95.949142 25.0 98.756721 80.0 100.569618 20.0 101.429832 22.0 103.558907 33.0 104.088524 20.0 105.967667 18.0 107.343742 18.0 108.041664 22.0 109.827988 19.0 111.040581 25.0 113.214531 25.0 113.641556 20.0 116.011497 18.0 116.072433 18.0 121.987541 18.0 122.325447 18.0 124.529823 17.0 124.994064 26.0 125.305412 38.0 127.908157 19.0 129.709915 19.0 129.934372 26.0 131.052109 17.0 131.342514 17.0 132.364838 22.0 132.42366 22.0 136.991928 20.0 138.933258 19.0 141.933029 18.0 144.894791 20.0 145.011276 36.0 145.030472 20.0 145.972351 21.0 146.148651 18.0 148.580841 20.0 151.832138 24.0 155.086868 18.0 155.391846 30.000002 156.986084 27.0 157.944138 18.0 164.064819 21.0 168.864716 18.0 168.909775 20.0 168.954987 46.0 169.456436 18.0 171.922577 19.0 174.498642 21.0 177.752884 22.0 179.055481 18.0 180.451172 18.0 180.637024 18.0 180.983536 26.0 183.117599 21.0 183.979782 42.0 185.077896 20.0 187.944748 23.0 188.412003 20.0 189.106522 31.0 190.984665 22.0 192.730316 26.0 197.13385 21.0 210.960602 25.0 211.793137 22.0 213.551529 17.0 214.058762 18.0 214.749817 49.0 218.196243 17.0 220.961365 23.0 225.858353 21.0 225.892548 20.0 227.057495 17.0 227.173035 18.0 227.936569 20.0 228.779373 37.0 231.927704 35.0 234.868286 17.0 235.818497 26.0 240.887299 24.0 245.99147 18.0 246.979034 20.0 248.916901 17.0 261.980591 21.0 263.97641 18.0 266.151398 20.0 268.893738 18.0 270.670258 18.0 274.865051 17.0 274.899841 44.0 276.999359 20.0 280.612671 18.0 283.589874 29.0 286.901001 27.0 288.904388 20.0 292.901917 35.0 302.016785 30.0 303.879059 38.0 303.975006 22.0 304.528809 23.0 305.932251 20.0 308.64209 18.0 310.055176 18.0 310.919281 18.0 316.806915 17.0 317.107727 20.0 317.492035 23.0 330.917816 29.0 334.852478 17.0 335.922699 17.0 336.628387 18.0 341.108643 38.0 342.117126 36.0 346.754486 22.0 363.082672 22.0 367.108734 34.0 369.104248 18.0 372.789612 31.0 373.175415 27.0 384.38089 18.0 391.916656 18.0 401.210846 22.0 404.910706 17.0 405.078796 1178.0 405.885498 58.0 406.072968 40.0 406.910828 48.0 407.079346 277.0 407.244141 27.0 408.077515 101.0 415.071136 28.0 430.174774 20.0 432.099243 57.0 435.493042 18.0 452.024261 18.0 481.901093 20.0 487.8078 18.0 515.115356 18.0 516.05603 20.0 522.205566 22.0 542.984863 18.0 556.258423 20.0 566.999451 44.0 568.04364 25.0 595.256653 18.0 597.835693 18.0 632.879883 18.0 645.987549 20.0 701.890564 34.0 755.956116 20.0 827.013062 20.0 858.448181 20.0 862.410767 23.0 872.952026 22.0 882.258667 17.0 897.475342 17.0 913.585022 20.0 924.957642 17.0 942.061951 20.0 943.697266 20.0 952.518799 18.0 969.395325 17.0 976.038696 22.0 980.307495 18.0 1007.084045 20.0 1050.078735 18.0 1051.830688 19.0 1052.484253 24.0 1055.994629 22.0 1058.432983 18.0 1062.835327 18.0 1063.007568 23.0 1075.071655 18.0 1080.913574 17.0 1095.501099 27.000002 1111.543213 22.0 1115.786499 22.0 1124.017456 22.0 1138.240723 36.0 1139.92688 18.0 1143.890625 17.0 1156.907959 19.0 1162.144165 20.0 1164.454712 22.0 1166.351562 25.0 1181.455688 20.0 1183.481445 26.999998 1192.160522 25.0 1197.508667 18.0 END IONS BEGIN IONS SCANS=245 PEPMASS=424.03098 CHARGE=-1 COLLISION_ENERGY=0.0 50.637268 18.0 51.703911 18.0 52.975723 20.0 61.086742 20.0 61.695351 17.0 61.974144 18.0 65.24427 34.0 68.610825 20.0 71.01651 38.0 72.172729 22.0 79.678398 30.0 79.752518 20.0 80.801041 20.0 86.846352 28.0 88.196915 19.0 88.517708 22.0 89.022011 18.0 99.047417 31.0 99.208344 20.0 99.925407 37.0 100.017937 17.0 100.111092 18.0 100.149048 18.0 100.816116 18.0 100.921387 17.0 109.947083 18.0 111.677811 20.0 111.961136 91.0 115.057793 18.0 117.935715 22.0 122.160439 17.0 123.961029 17.0 124.930611 32.0 125.941635 310.114075 126.94297 74.0 127.412354 18.0 127.943199 26.0 129.933685 19.0 135.031357 21.0 135.197052 18.0 135.965744 21.0 136.967529 20.0 137.941833 107.0 139.957977 145.0 140.959564 45.0 141.933517 78.621643 141.945251 44.009933 141.961624 17.789082 143.072296 19.0 143.899658 18.0 143.952652 129.0 147.962769 18.0 148.987 18.0 149.94426 17.0 150.741714 50.0 151.955963 141.0 153.893051 19.0 153.93837 121.0 154.944458 69.0 155.94902 72.0 157.949905 40.0 159.047424 18.0 163.960648 18.0 165.960342 23.0 166.973831 47.0 167.695419 18.0 167.951828 6281.639648 168.028275 20.0 168.953323 1127.558472 169.001343 18.0 169.932114 40.815319 169.94989 134.184677 170.952728 35.0 171.214447 18.0 171.950104 37.0 179.062027 35.0 179.408981 22.0 179.948807 18.0 180.002167 18.0 180.960892 46.000004 181.897827 18.0 181.931656 21.0 181.970795 65.0 182.93631 21.0 182.960251 31.0 183.625305 18.0 183.948425 355.992432 184.035141 26.0 184.946655 62.0 185.941711 20.0 186.96785 17.0 193.96669 108.0 194.96991 22.0 195.94693 764.0 196.947266 177.94342 197.957321 305.022949 197.985718 26.949936 198.964951 27.0 199.095413 22.0 202.964417 17.0 203.0336 18.0 205.066757 17.0 205.823837 21.0 206.932831 18.0 207.950043 18.0 209.971405 65.0 210.049423 18.0 211.971451 20.0 214.958115 21.0 215.972961 38.0 218.118912 19.0 221.966492 98.0 223.026367 18.0 223.914688 20.0 223.938354 57.0 223.973953 18.0 224.693802 30.0 224.910919 18.0 225.955139 185.0 226.895493 20.0 226.963104 86.0 227.971008 259.667206 228.968857 112.0 229.986618 149.0 231.96666 20.0 232.040756 18.0 234.930893 33.0 235.934952 30.0 237.95784 47.0 239.977936 30.0 240.97168 22.0 242.978806 44.0 243.966019 403.0 244.129654 17.0 244.97702 541.1698 245.153259 63.0 245.98262 3451.0 246.98262 363.0 247.984863 261.0 248.980667 20.0 252.954117 20.0 253.901184 31.0 253.947876 18.0 254.067719 18.0 254.948776 47.0 259.995941 107.706673 260.917725 18.0 261.975342 97.0 263.998718 18.0 265.220764 27.0 268.96991 43.0 269.982971 76.0 272.972717 38.0 274.697845 22.0 274.876434 50.0 274.985107 261.0 275.993439 142.0 277.002167 18.0 277.984192 36.0 278.924438 17.0 281.044922 18.0 282.971649 27.0 285.977173 330.0 286.981323 113.0 287.993378 1587.0 288.612396 18.0 288.995209 205.0 289.996429 114.0 291.19046 19.0 293.522888 18.0 295.956879 17.0 298.050629 20.0 299.948608 41.0 301.970734 71.0 302.947845 20.0 303.989471 1151.0 304.914032 35.0 304.994415 285.312134 305.991455 48.0 307.993896 18.0 313.977478 64.0 315.964752 20.0 315.988983 22.0 316.988678 57.0 324.204346 27.0 327.961914 25.0 332.920349 18.0 340.911102 18.0 341.110565 30.0 342.9646 42.0 343.983948 17.0 345.955414 18.0 345.991394 17.0 359.122742 20.0 363.997864 21.0 367.891052 17.0 381.110748 18.0 381.358002 20.0 382.132019 17.0 389.95929 22.0 402.002014 18.0 406.009125 17.0 406.03595 29.0 407.02066 43.0 407.051697 24.0 423.321259 67.0 423.933533 24.0 424.031189 1695.656616 425.032288 351.624115 426.036224 163.0 426.103455 20.0 426.954163 18.0 427.029846 36.0 433.230469 19.0 484.006622 18.0 495.2388 23.0 539.173767 25.0 610.279846 25.0 612.689148 29.0 617.695251 20.0 626.908081 18.0 663.647949 25.0 688.745605 22.0 691.224548 23.0 714.922729 26.0 726.443604 33.0 777.901611 36.0 804.662048 19.0 820.391541 18.0 823.933716 21.0 828.277832 18.0 849.111389 23.0 856.363647 18.0 877.391296 17.0 908.958923 20.0 920.607117 18.0 945.929932 27.0 946.952881 18.0 954.861877 31.0 962.290039 18.0 973.842651 23.0 973.917297 17.0 995.562683 18.0 997.83667 22.0 1014.096558 19.0 1016.470703 18.0 1019.87616 22.0 1026.817505 18.0 1042.852295 18.0 1054.88916 21.0 1056.425049 24.0 1061.875488 24.0 1062.720703 22.0 1064.955566 18.0 1070.992188 25.0 1091.848755 18.0 1111.306519 23.0 1123.511719 46.0 1153.44458 23.0 1154.677612 25.0 1160.256714 20.0 1162.682251 23.0 1173.948242 18.0 END IONS BEGIN IONS SCANS=246 PEPMASS=367.10479 CHARGE=-1 COLLISION_ENERGY=0.0 52.605953 28.0 57.752979 19.0 58.028938 19.0 59.014843 43.0 68.049011 18.0 71.012474 205.0 71.876244 23.0 73.027374 20.0 83.018517 27.0 84.013496 70.0 85.009651 307.0 85.030891 170.0 86.259621 22.0 87.663155 28.0 89.024071 124.0 95.015045 102.0 96.955391 18.0 97.016289 33.0 97.026962 36.0 101.022049 55.0 102.028427 18.0 103.021629 78.0 108.047455 18.0 113.024582 1178.720093 114.029762 81.0 114.092125 18.0 115.017235 161.094009 116.932762 22.0 119.033241 54.0 124.635735 28.0 125.024315 218.0 126.02507 42.0 126.092964 60.0 127.021362 312.434937 127.092239 39.0 127.385384 25.0 128.018646 17.0 130.953125 20.0 139.020065 29.0 139.936981 18.0 140.03894 26.0 141.933853 18.0 142.966537 26.0 143.035919 108.0 143.072021 19.0 143.120483 87.0 143.822998 18.0 144.034622 26.0 144.929199 19.0 144.957855 18.0 145.032227 440.0 145.098053 838.0 145.161179 18.0 146.102325 23.0 156.035416 147.0 156.892136 20.0 156.959641 18.0 157.031647 693.0 158.020767 21.0 158.891693 20.0 158.942612 26.0 161.051254 69.0 166.053238 20.0 168.035294 26.0 169.032455 372.586029 170.033279 20.0 172.658936 18.0 174.463058 18.0 178.047943 20.0 179.377731 33.0 179.710556 20.0 186.050934 95.289299 186.852142 22.0 186.924896 22.0 187.041748 937.072021 187.108551 8430.0 187.563583 18.0 188.042603 39.0 188.061752 28.0 188.112213 884.0 188.170364 18.0 189.114426 117.0 190.709427 18.0 191.625824 31.0 194.790802 20.0 198.878586 18.0 198.892838 29.408106 198.924652 20.0 199.021515 26.37067 199.040466 36.476219 204.057968 36.0 205.052032 368.0 206.063873 23.0 212.051575 39.0 216.053955 56.0 217.052475 490.0 222.950882 18.0 229.054626 47.0 236.848557 35.0 238.965042 74.0 239.068634 42.0 241.043564 26.0 246.064301 85.656624 247.063461 506.96698 248.062973 21.0 248.200363 24.0 249.068573 18.0 254.102478 17.0 259.036713 29.0 269.814453 22.0 271.061432 23.0 276.080078 88.0 277.073242 303.0 278.085541 48.0 278.590485 18.0 279.90094 21.0 283.134552 20.0 288.073059 20.0 295.117035 20.0 295.998627 18.0 306.08844 146.0 307.086426 611.0 308.093201 81.0 309.58844 20.0 326.399963 18.0 331.095459 18.0 333.773529 20.0 336.089966 24.0 348.980316 18.0 350.103088 32.0 351.24054 24.0 366.107941 1063.648926 366.23468 18.0 366.278259 22.0 367.026886 24.0 367.058685 47.0 367.104034 4387.0 367.227539 54.0 368.10849 743.0 369.106384 320.957245 369.201447 17.0 370.106384 41.0 372.690704 22.0 374.040161 19.0 519.286743 20.0 738.491272 18.0 1061.862427 18.0 END IONS BEGIN IONS SCANS=247 PEPMASS=412.03072 CHARGE=0 COLLISION_ENERGY=0.0 55.635887 26.0 56.817036 20.0 57.603195 18.0 58.00547 19.0 58.290031 19.0 59.011063 18.0 59.864796 27.0 60.228935 18.0 63.959038 18.0 70.76355 27.0 71.017136 42.0 73.26989 21.0 73.948166 18.0 78.093475 88.0 78.959435 18.0 80.352066 20.0 86.099854 28.0 89.021294 41.0 91.910133 18.0 92.205605 17.0 92.495392 23.0 93.227715 22.0 99.051971 22.0 101.025192 41.0 101.702774 41.0 104.669945 18.0 106.966682 20.0 111.021172 18.0 112.720055 33.0 113.940514 209.33699 115.143555 22.0 115.963524 22.0 117.232956 18.0 119.034477 48.0 125.049408 17.0 128.04245 24.0 132.839645 17.0 135.347031 19.0 139.919556 27.0 139.942947 19.0 141.936035 743.253723 142.93512 20.0 143.952133 97.0 144.872543 18.0 145.017166 55.0 149.657028 18.0 153.067886 19.0 153.646942 20.0 161.04657 20.0 163.057388 17.0 164.044342 18.0 164.895569 18.0 166.499283 18.0 167.95343 41.0 168.962616 33.0 170.956589 30.0 171.026978 18.0 171.251526 18.0 171.288773 22.0 171.946625 11197.413086 172.11647 21.0 172.949905 793.0 173.005707 18.0 173.0914 21.0 173.949722 260.874054 174.124603 35.0 174.416595 22.0 176.214401 17.0 177.129089 24.0 178.093414 22.0 179.056305 39.0 182.972107 26.0 185.006424 18.0 187.03894 19.0 188.245819 28.0 197.524796 44.0 197.934357 53.0 197.965683 17.0 199.959564 18.0 201.958099 74.0 203.022217 20.0 208.055252 22.0 209.465958 21.0 210.062668 17.0 213.954758 24.0 217.119751 18.0 221.060867 17.0 223.017517 45.0 225.964905 18.0 228.651825 18.0 229.97406 26.0 231.011108 71.0 231.968033 1679.0 232.921799 20.0 232.973389 134.0 233.307816 18.0 233.972427 37.0 236.88501 18.0 236.952103 18.0 244.900436 30.0 244.939148 25.0 255.239578 18.0 261.003937 23.0 269.012726 21.0 283.995209 56.0 286.820068 18.0 291.990997 1097.674438 292.053253 33.0 292.145386 18.0 292.997498 79.0 293.991028 39.0 296.912994 27.0 304.048706 17.0 307.853882 21.0 321.382629 20.0 322.943115 28.0 323.104828 25.0 340.129852 23.0 341.016754 18.0 341.109039 131.0 341.904694 17.0 342.959991 17.0 346.919739 23.0 352.012787 37.0 367.108063 40.0 367.202148 45.0 369.216156 17.0 384.079285 20.0 394.022552 18.0 397.078705 17.0 397.17511 18.0 397.289062 21.0 401.207306 50.0 411.146332 19.0 411.990204 19.0 412.032654 331.0 412.133209 17.0 413.033691 145.0 414.172607 21.0 414.993256 18.0 415.035858 18.0 415.112274 55.0 594.50824 28.0 686.089783 18.0 763.560974 22.0 813.971375 24.0 870.984253 20.0 968.84491 45.0 975.056702 18.0 975.117493 17.0 981.429749 18.0 996.228088 19.0 1006.140381 23.0 1031.491577 22.0 1038.183105 17.0 1064.93103 20.0 1079.245483 26.0 1125.423096 49.0 1129.867798 18.0 1133.333618 27.0 1136.249512 23.0 1141.235962 24.0 1147.918457 28.0 1158.063599 22.0 1162.852905 17.0 1171.397339 18.0 1178.713135 18.0 1191.666016 21.0 1199.025391 17.0 END IONS BEGIN IONS SCANS=248 PEPMASS=176.05601 CHARGE=0 COLLISION_ENERGY=0.0 51.047363 23.0 51.398785 23.0 55.398685 18.0 56.014252 21.0 59.01458 200.0 60.99065 35.0 69.031219 46.0 71.015633 184.0 72.018372 22.0 72.045532 289.0 73.028801 23.0 74.023956 2063.0 74.050644 18.0 75.028999 40.0 83.014664 40.0 84.005806 23.0 84.018654 24.0 84.044777 800.0 85.029991 67.0 85.048691 61.0 86.977455 20.0 87.009743 43.0 87.760429 30.0 88.041679 54.0 89.024765 236.523727 89.039917 22.0 90.997925 80.0 91.824425 18.0 95.019966 75.663544 96.044014 209.0 97.047394 21.0 98.025322 126.0 99.046852 55.0 99.924141 18.0 100.038559 195.0 101.026939 17.0 101.045883 20.0 102.054214 65.0 103.060791 33.0 104.0345 983.413208 104.488541 19.0 107.047516 19.0 113.018715 21.0 114.054062 125.0 115.038666 18.0 115.797508 30.0 116.035515 1349.0 117.037895 173.0 118.034073 18.0 123.00943 36.0 125.552895 23.0 128.0354 349.0 129.034256 18.0 129.149979 39.0 130.9655 44.0 131.936539 18.0 132.060104 18.0 134.990463 85.0 140.936356 22.0 145.889893 22.0 146.045593 1211.0 147.048111 41.0 148.035049 18.0 148.052353 54.0 156.309448 18.0 158.043564 19.0 159.892242 20.0 174.740829 21.0 176.057159 493.0 177.058609 39.0 177.898987 19.0 178.90126 20.0 179.062088 70.95076 184.011307 20.0 224.042801 20.0 228.277557 27.0 436.652435 20.0 END IONS BEGIN IONS SCANS=249 PEPMASS=101.02411 CHARGE=0 COLLISION_ENERGY=0.0 50.541157 18.0 50.678173 23.0 50.722385 22.0 52.873039 22.0 54.588428 18.0 57.599571 20.0 59.364563 22.0 67.762398 22.0 67.833267 20.0 68.754875 26.0 70.65081 23.0 70.905914 26.999998 73.030678 18.0 74.063927 21.0 74.452156 18.0 76.180367 27.0 77.718292 22.0 78.333664 18.0 78.591537 34.0 78.884148 20.0 79.511391 19.0 83.472305 18.0 84.301704 18.0 85.37323 22.0 86.836853 17.0 87.029831 19.0 89.759216 25.0 90.583405 80.0 91.459236 21.0 99.872528 18.0 99.925758 39.0 100.456673 18.0 100.93145 23.0 101.024025 121.0 103.000908 25.0 105.227974 17.0 110.414757 23.0 111.161446 18.0 112.07048 22.0 113.158112 18.0 114.131287 22.0 114.421608 20.0 120.809525 18.0 122.501762 22.0 123.837013 26.0 126.486305 17.0 130.77095 25.0 132.369415 20.0 134.25296 20.0 145.021255 37.0 146.28154 23.0 150.733749 19.0 165.791519 18.0 170.40712 18.0 175.300217 25.0 177.371307 19.0 188.812103 24.0 198.031525 20.0 202.388412 28.0 203.307266 27.0 211.460434 18.0 212.134171 23.0 214.151169 18.0 220.80426 21.0 222.18187 21.0 242.73204 18.0 250.867004 43.0 257.186737 18.0 259.128052 26.0 261.975098 17.0 267.621857 21.0 283.508301 28.0 288.835999 17.0 292.236206 33.0 301.176483 22.0 312.746185 19.0 331.810364 18.0 340.460022 34.0 373.0242 18.0 395.099426 18.0 423.288818 18.0 425.035339 20.0 472.954987 20.0 481.557495 21.0 804.856689 19.0 825.946045 22.0 865.498352 34.0 920.771484 18.0 933.159668 18.0 963.413879 32.0 998.286255 21.0 1048.394409 17.0 1074.140015 17.0 1088.432739 25.0 1098.129272 20.0 1115.775024 17.0 1150.467285 24.0 1161.955811 18.0 1169.435425 18.0 1174.857178 18.0 END IONS BEGIN IONS SCANS=250 PEPMASS=187.10837 CHARGE=-1 COLLISION_ENERGY=0.0 58.027451 38.0 68.047249 17.0 71.013458 20.0 73.027725 18.0 73.598816 19.0 74.022545 18.0 76.440071 22.0 76.971176 18.0 78.515022 20.0 83.00985 20.0 83.191307 18.0 84.995483 21.0 85.018822 17.240929 85.026733 48.693295 85.067833 19.0 87.059341 23.0 88.930832 18.0 94.684036 20.0 95.049522 22.0 97.076134 172.0 97.998428 18.0 98.057961 35.0 99.008087 90.0 99.093201 54.0 100.040016 18.0 100.923737 24.0 100.950508 20.0 101.947517 28.0 102.057671 20.0 111.006096 97.0 111.047234 47.0 112.038994 28.0 112.474609 18.0 114.091255 57.0 114.942223 60.0 116.03627 22.0 118.588921 18.0 125.061874 44.0 125.099716 68.0 126.09272 79.0 127.040092 47.0 127.082817 18.0 128.070023 129.0 129.01947 23.0 139.091339 95.0 141.10379 78.0 142.103531 23.0 143.070648 85.0 143.120728 283.0 144.045074 21.0 144.125488 18.0 145.030762 19.0 145.097717 2978.0 145.679276 20.0 145.886932 20.0 146.100754 360.0 147.102036 18.0 147.959885 18.0 158.890915 20.0 159.044128 19.0 159.904465 20.0 171.091537 23.0 173.050552 39.0 187.079346 18.0 187.107925 3449.0 187.189713 20.0 188.111221 294.0 188.75325 18.0 189.021637 21.0 189.110306 36.0 189.344574 20.0 190.071274 20.0 191.090057 20.0 280.214935 20.0 369.108032 20.0 END IONS BEGIN IONS SCANS=251 PEPMASS=405.10225 CHARGE=0 COLLISION_ENERGY=0.0 59.013702 129.0 69.03186 100.0 71.012634 153.0 72.990631 18.0 74.022873 21.0 78.961647 18.0 81.0317 17.0 83.048744 20.0 85.026237 31.0 86.024384 24.0 89.02372 149.0 90.028343 19.0 91.054222 25.0 93.034081 332.0 93.093262 22.0 94.039909 65.0 94.98278 22.0 96.969238 20.0 97.02874 126.0 100.03833 25.0 101.023148 332.0 101.660179 31.0 102.027199 38.0 106.024635 18.0 107.050987 18.0 109.027168 38.0 109.06456 22.0 110.022606 22.0 111.019951 18.0 111.044189 93.0 113.023926 255.0 113.049873 18.0 113.060135 17.0 114.024536 22.0 114.946869 19.0 115.037598 17.0 117.017365 17.0 119.033592 62.796585 119.050331 334.2034 120.051369 28.0 120.17318 23.0 123.954025 18.0 124.046875 17.0 125.022766 61.0 126.944237 61.0 132.041672 38.0 135.042892 78.0 137.024628 438.0 137.05748 262.0 138.027756 37.0 138.063553 76.0 139.00528 20.0 141.02179 162.0 142.042618 19.0 145.018005 26.0 147.04747 18.0 149.063812 18.0 153.020523 41.0 153.093414 58.0 154.05101 43.0 155.032791 124.0 155.069733 40.0 155.087433 29.0 156.037231 20.0 157.014191 20.0 158.069855 20.0 159.036041 36.0 161.045593 43.0 161.058289 41.222637 161.999588 20.0 162.042374 19.0 163.04039 208.479416 163.070526 30.0 164.050262 50.0 166.967026 37.0 167.605988 19.0 167.792801 18.0 167.95192 173.0 168.955322 20.0 174.987 21.0 176.043365 20.0 177.018524 20.0 179.0009 21.0 179.106781 22.0 180.009399 94.0 180.040405 73.0 181.007965 17.0 181.049316 823.0 182.052795 153.0 182.969238 36.0 183.070435 18.0 184.037827 28.0 185.045944 19.0 189.013916 17.0 191.057037 28.0 195.057907 20.0 199.059326 410.0 200.063324 79.0 200.094711 19.0 200.112717 26.0 201.992371 17.0 205.033386 20.0 207.032181 64.0 209.067413 19.0 209.858292 20.0 214.149368 18.0 214.919159 18.0 215.050369 17.0 217.063156 25.0 218.049957 17.0 220.118011 19.0 222.075287 19.0 223.064133 17.0 224.02832 20.999998 225.04184 61.0 225.077194 17.0 225.895752 19.0 226.047318 26.0 226.065948 23.0 226.971786 17.0 227.051498 38.658173 227.068253 63.341824 227.101868 115.0 227.880783 18.0 227.964859 18.0 228.079285 20.0 228.124023 22.0 228.145386 22.0 228.961777 20.0 229.012772 21.0 229.922089 20.0 236.062759 18.0 243.049667 18.0 243.082596 22.0 244.052643 20.0 244.882309 23.0 245.02565 19.0 245.062042 18.0 245.973999 19.0 249.064728 30.0 255.127609 18.0 256.910004 21.0 257.013214 19.0 257.460999 18.0 258.119507 20.0 259.098999 22.0 260.077118 20.0 264.072632 18.0 275.029297 18.0 276.053925 23.0 276.106995 25.0 277.110626 29.0 281.059906 20.0 282.868195 26.0 285.054932 28.0 285.512054 19.0 285.880768 17.0 285.921478 19.0 286.893768 21.0 290.902344 21.0 291.076965 25.0 299.072327 29.0 301.071503 17.0 302.100952 20.0 302.898163 28.0 306.976562 17.0 315.101929 18.0 326.109314 24.0 331.067749 17.0 335.922913 18.0 343.103516 276.0 344.108826 18.0 361.113281 407.0 362.13092 18.0 375.13974 22.0 378.150238 17.0 379.18045 29.0 384.243561 20.0 387.085663 57.0 394.926849 20.0 404.892059 18.0 404.985352 18.0 405.102692 1927.968994 405.183868 18.0 406.105621 313.0 407.113586 82.0 407.197296 22.0 408.193604 73.094078 554.091858 17.0 856.639038 18.0 1140.416992 18.0 END IONS BEGIN IONS SCANS=252 PEPMASS=129.01861 CHARGE=0 COLLISION_ENERGY=0.0 64.771179 17.0 72.992867 19.0 74.244026 23.0 76.964966 29.0 80.539536 18.0 85.027901 35.0 94.992554 18.0 99.922295 17.0 100.93634 18.0 101.026047 38.0 102.016151 27.0 102.242851 18.0 112.035332 21.0 113.924927 37.0 115.593033 17.0 115.91951 62.0 127.630035 18.0 129.017014 37.0 137.270691 20.0 142.804199 21.0 186.540695 18.0 191.682144 20.0 192.441711 26.0 195.127823 20.0 195.465515 17.0 203.781693 25.0 217.682007 25.0 235.241943 20.0 241.57988 18.0 256.03537 48.0 269.516632 18.0 285.782806 25.0 324.223846 18.0 335.922943 18.0 358.434814 22.0 365.964081 22.0 372.830963 18.0 386.307831 18.0 399.611725 32.0 468.191925 18.0 575.160156 17.0 END IONS BEGIN IONS SCANS=253 PEPMASS=147.02945 CHARGE=0 COLLISION_ENERGY=0.0 51.065716 20.0 51.218105 22.0 52.221268 18.0 53.51841 17.0 55.661396 48.0 57.032288 205.0 58.458508 32.0 58.803043 26.0 59.015133 19.0 59.803078 18.0 60.58762 31.0 61.255798 22.0 67.001778 22.0 69.490158 21.0 71.015106 17.0 72.727692 26.0 73.030571 43.0 74.021881 23.0 74.381065 18.0 75.008125 47.0 75.160774 20.0 79.957642 21.0 81.632126 27.0 83.778603 30.0 83.790382 18.0 85.028008 878.0 86.031616 56.0 87.007759 60.0 88.550385 17.0 89.074593 28.0 91.218803 20.0 93.97612 28.0 97.404518 23.0 97.512138 20.0 100.237305 18.0 101.024406 1211.0 102.03167 76.0 102.051727 27.0 102.931679 38.0 103.039536 607.0 103.25386 17.0 103.543953 22.0 104.042526 61.0 105.290306 18.0 121.027931 44.0 121.238213 18.0 122.516129 18.0 125.388298 23.0 128.8181 18.0 129.01857 3577.0 129.258682 23.0 129.493469 18.0 130.024918 224.0 130.354691 17.0 131.030899 42.0 131.245926 18.0 132.627151 35.0 136.861313 27.0 140.847519 17.0 140.927231 29.0 147.029388 1100.767944 147.066498 78.0 148.032913 113.0 148.06134 22.0 148.075165 18.0 148.985291 20.0 149.023636 58.0 152.754044 27.0 153.213211 20.0 161.287552 18.0 171.446426 31.0 173.197601 37.0 175.731461 19.0 179.049545 18.0 187.11554 66.0 194.139221 18.0 195.172974 20.0 196.645462 27.0 220.143906 34.0 244.586884 25.0 245.229294 23.0 261.071777 18.0 282.609253 21.0 309.351654 18.0 345.720673 17.0 351.483734 19.0 359.119446 22.0 367.109039 39.0 416.007477 18.0 425.119934 18.0 466.781189 22.0 578.986816 18.0 929.918945 18.0 949.045471 23.0 968.940491 23.0 1030.835938 38.0 1096.0177 20.0 1103.936157 22.0 1130.358643 20.0 1145.989624 30.0 1171.530762 38.0 1183.650513 18.0 1192.966064 20.0 END IONS BEGIN IONS SCANS=254 PEPMASS=305.01722 CHARGE=-1 COLLISION_ENERGY=0.0 50.848537 27.0 51.00206 35.0 51.178196 17.0 51.316021 31.0 51.851425 18.0 51.885738 52.0 53.180523 20.0 53.528538 23.0 54.392769 21.0 55.172783 20.0 56.569035 21.0 58.398392 20.0 60.214001 21.0 62.051113 18.0 66.443367 18.0 66.455482 20.0 67.029411 17.0 67.773987 26.0 68.786697 46.0 69.613899 24.0 70.428848 24.0 70.870453 19.0 70.926697 33.0 72.658356 20.0 72.727875 19.0 75.893425 18.0 76.195549 20.0 78.724953 18.0 78.958427 73.0 79.958092 17.0 80.204735 18.0 80.551086 22.0 81.043976 102.0 81.940643 25.0 82.041313 18.0 82.050072 18.0 85.496819 36.0 85.728912 21.0 87.007156 24.0 87.14695 22.0 89.025291 21.0 89.321167 20.0 93.45163 20.0 95.66684 20.0 96.541512 29.0 96.731766 20.0 96.957069 20.0 96.968712 18.0 97.470963 23.0 99.924446 59.0 101.006783 42.0 103.052391 22.0 103.160187 20.0 104.855965 20.0 105.594994 20.0 106.35334 19.0 107.714989 24.0 109.411041 35.0 109.430901 18.0 109.530914 20.0 109.641953 35.0 109.978607 33.0 110.405342 18.0 110.666214 17.0 110.833015 21.0 110.917984 23.0 110.98481 17.0 111.019684 77097.0 111.067863 1966.145874 111.114761 41.0 111.137016 36.0 111.164703 38.554165 111.190849 18.0 111.248016 20.0 111.283142 20.0 111.303101 18.0 111.32827 18.0 111.411819 17.0 111.443405 18.0 111.525665 20.0 111.571686 25.0 111.613525 18.0 111.629311 18.0 111.662888 20.0 111.694664 18.0 111.737267 20.0 111.750496 27.0 111.768837 18.0 111.798752 20.0 111.932961 17.0 112.022713 5466.513184 112.245819 17.0 112.272812 18.0 112.301971 26.0 112.466118 20.0 112.527565 20.0 112.601311 18.0 112.734047 18.0 112.909531 18.0 112.936111 27.0 112.980568 35.0 113.022713 501.0 113.050041 18.0 113.071381 19.0 113.112663 37.0 113.341461 17.0 113.555061 17.0 113.56562 19.0 113.588844 26.0 113.621391 18.0 113.638634 29.0 113.708336 22.0 113.789665 36.0 113.983147 17.0 114.026291 20.0 114.135666 24.0 114.415779 17.0 115.160683 18.0 115.215569 22.0 115.313469 17.0 116.068405 18.0 118.809273 21.0 119.028656 19.0 121.379616 21.0 124.188286 21.0 124.83609 22.0 125.003258 33.0 125.033684 215.0 125.533897 18.0 125.944046 56.0 126.916054 18.0 127.24736 17.0 127.873131 39.0 128.035309 130.0 129.616287 18.0 130.828461 20.0 131.043015 18.0 134.515503 18.0 137.561432 22.0 141.939026 18.0 142.9823 18.0 143.069565 18.0 143.913895 18.0 143.946579 18.0 144.909134 27.0 147.012543 20.0 147.713181 20.0 147.993912 32.0 148.903839 50.0 150.911926 30.0 151.03688 17.0 152.772781 27.0 154.149597 18.0 154.630875 18.0 154.938293 18.0 155.41423 18.0 156.936661 18.0 158.92067 24.0 159.896423 26.0 160.602371 19.0 160.899582 18.0 160.974945 38.0 162.403381 18.0 162.889633 18.0 162.971085 19.0 164.898834 22.0 166.051682 39.0 167.142715 18.0 167.951859 19.0 168.576447 22.0 169.068817 21.0 172.42601 43.0 175.008133 18.0 176.017059 22.0 176.053604 18.0 176.44783 18.0 180.918396 19.0 181.007233 18.0 181.863251 21.0 184.016678 18.0 184.899582 18.0 184.958923 25.0 185.905304 21.0 190.293427 20.0 190.956253 18.0 192.293625 22.0 192.547516 20.0 192.988586 266.53949 193.248566 17.0 193.715607 26.0 193.997787 22.0 194.997925 21.0 195.949188 17.0 196.91156 19.0 197.077225 18.0 198.213242 23.0 198.468567 18.0 198.92627 18.0 200.915848 20.0 201.952927 19.0 202.906418 31.0 203.034683 25.0 205.535461 22.0 208.071991 23.0 208.789841 18.0 210.927689 18.0 212.246277 17.0 213.052765 17.0 214.929504 109.0 216.047699 34.0 220.132156 18.0 221.5345 18.0 221.903854 17.0 227.139328 18.0 228.013382 19.0 229.905884 18.0 230.066956 24.0 232.035812 20.0 232.589783 21.0 233.152496 20.0 235.482407 19.0 237.128601 18.0 243.926224 20.0 243.96933 36.0 245.004837 19.0 247.034958 21.0 248.662857 25.0 260.935669 38.0 261.54718 45.0 261.979706 103.0 269.919952 19.0 273.092773 26.000002 275.043793 18.0 286.924744 19.0 287.219116 26.0 288.932312 34.0 290.075073 21.0 301.300812 18.0 303.914856 18.0 304.120575 25.0 304.201508 17.0 305.019012 1911.0 305.082062 18.0 305.926819 40.0 306.019928 187.0 306.136993 18.0 307.028595 78.0 307.200684 18.0 308.159332 20.0 309.164703 57.0 311.11557 18.0 311.16214 18.0 342.231506 18.0 353.200867 20.0 355.12973 22.0 360.169525 18.0 394.920288 20.0 400.917389 17.0 401.109528 24.0 402.976593 18.0 424.036316 72.0 435.088257 18.0 485.069885 17.0 487.888763 28.0 513.195496 26.0 529.129883 17.0 543.855835 18.0 559.311707 25.0 573.468628 25.0 586.217285 17.0 641.256409 20.0 649.011536 20.0 651.295532 17.0 659.349731 18.0 659.513916 27.0 661.136902 18.0 675.139038 21.0 723.025574 20.0 798.89209 17.0 845.884155 19.0 851.479553 21.0 896.963196 18.0 917.89032 22.0 922.869873 24.0 927.862488 18.0 979.731079 18.0 997.16449 24.0 999.412231 18.0 999.491699 24.0 1007.629333 24.0 1017.265381 18.0 1054.924561 26.0 1055.922852 18.0 1059.364502 28.0 1060.266846 19.0 1060.889771 24.0 1064.864136 29.0 1068.651978 21.0 1079.835815 17.0 1093.267212 20.0 1096.664551 20.0 1099.928833 22.0 1104.109497 20.0 1109.92688 21.0 1119.416626 37.0 1124.266479 20.0 1148.034424 19.0 1157.265015 17.0 1168.260254 44.0 1171.947021 17.0 1173.536133 17.0 1174.601685 20.0 1176.526733 22.0 1178.843872 18.0 1194.914429 18.0 END IONS BEGIN IONS SCANS=255 PEPMASS=111.01947 CHARGE=-1 COLLISION_ENERGY=0.0 50.405849 18.0 51.098598 18.0 52.519978 26.0 54.900291 25.0 55.297424 19.0 55.57188 18.0 55.823196 22.0 56.507439 24.0 57.147041 31.0 58.525173 26.0 58.933918 17.0 59.63345 29.0 63.83007 18.0 67.845863 20.0 68.934692 18.0 68.992798 41.0 70.279556 20.0 71.585152 18.0 71.923058 22.0 72.233955 17.0 73.197685 23.0 75.600883 18.0 76.021477 51.0 76.582253 20.0 78.999046 41.0 79.898643 22.0 82.978058 18.0 83.101624 30.0 83.815773 20.0 84.406242 17.0 84.663818 20.0 85.027115 41.0 86.176712 18.0 86.984375 20.0 87.131073 18.0 88.841599 18.0 89.023972 20.0 89.058388 18.0 91.212006 23.0 94.325813 18.0 94.977142 19.0 95.842384 22.0 97.808365 36.0 100.963409 17.0 101.67028 18.0 102.410927 21.0 109.463379 20.0 109.830597 17.0 111.017746 19.0 113.022842 60.0 113.920876 18.0 114.98481 17.0 115.156784 18.0 115.892204 19.0 116.329086 17.0 116.926239 33.0 119.866409 28.0 120.224083 20.0 121.556572 22.0 128.377563 18.0 128.890686 20.0 129.493042 43.0 130.91481 18.0 132.028931 17.0 136.743805 21.0 143.028 18.0 145.11116 18.0 145.490036 20.0 146.619949 20.0 148.749832 22.0 151.740814 20.0 153.400589 18.0 153.528442 20.0 153.762436 22.0 163.785126 21.0 163.884903 18.0 167.692688 19.0 167.978653 18.0 168.067596 21.0 169.653809 17.0 171.445419 20.0 177.430664 24.0 177.592453 20.0 182.760681 19.0 183.928848 18.0 184.701035 18.0 185.063202 20.0 185.681885 18.0 186.132996 34.0 192.053406 18.0 194.81134 18.0 196.047913 31.0 199.836807 24.0 205.890945 18.0 208.086807 22.0 209.544998 21.0 213.75148 28.0 216.03595 23.0 217.410797 22.0 218.44664 18.0 219.992798 29.0 223.493271 24.0 230.684433 32.0 233.881577 17.0 238.350784 21.0 249.705811 36.0 258.866577 17.0 261.745148 18.0 262.369354 21.0 263.67392 25.0 263.894684 25.0 266.038239 18.0 266.072998 18.0 267.560822 18.0 270.900879 18.0 285.850494 25.0 297.147522 22.0 305.031799 18.0 306.015228 20.0 315.166168 23.0 328.984802 18.0 340.368927 18.0 343.108795 26.0 344.281708 24.0 346.259949 23.0 355.642273 21.0 364.108643 20.0 369.1203 40.0 373.002563 18.0 383.521301 19.0 394.219757 25.0 399.131409 27.0 404.459595 20.0 405.063293 24.0 421.865112 17.0 429.070892 18.0 443.880646 25.0 448.136566 25.0 450.661804 18.0 452.202637 18.0 470.864624 25.0 475.343414 21.0 500.876282 20.0 536.160828 18.0 567.739014 29.0 571.117004 17.0 573.209473 18.0 634.062317 18.0 643.123962 22.0 652.763062 18.0 656.971313 18.0 667.501953 23.0 677.129089 20.0 714.968323 17.0 768.497864 17.0 784.060852 18.0 820.608276 21.0 823.849365 23.0 830.506042 18.0 872.849609 19.0 901.987061 22.0 973.420654 22.0 980.39856 19.0 981.19043 17.0 1035.505737 17.0 1040.482666 19.0 1057.13562 22.0 1062.452759 20.0 1080.932983 23.0 1084.34314 18.0 1087.948608 17.0 1092.615601 22.0 1100.935059 23.0 1116.889526 32.0 1148.064453 22.0 1148.488892 25.0 1150.576538 33.0 1155.13855 29.0 1160.251587 18.0 1170.222168 29.0 1175.492065 18.0 1182.039307 17.0 1197.228027 29.0 1197.92627 19.0 END IONS BEGIN IONS SCANS=256 PEPMASS=217.0824 CHARGE=0 COLLISION_ENERGY=0.0 50.33498 22.0 55.392834 18.0 56.531834 20.0 58.030064 214.0 60.211842 20.0 63.083656 27.0 65.205284 26.0 65.604073 17.0 67.035622 21.0 70.029877 49.0 72.905579 17.0 73.237991 20.0 73.248314 22.0 74.022095 18.0 75.493652 20.0 76.303276 18.0 76.970551 17.0 77.912437 17.0 80.70871 22.0 83.061241 57.0 83.120895 17.0 83.411469 20.0 83.952499 18.0 84.046188 185.0 85.040764 19.0 85.049049 20.0 86.19149 17.0 86.452011 18.0 87.681557 23.0 88.160446 26.0 89.041809 17.0 89.094826 17.0 89.181305 20.0 89.920944 17.0 91.034225 18.0 95.165794 27.0 95.962898 18.0 96.587326 26.0 101.073334 258.0 101.395302 26.0 102.452553 18.0 103.005501 28.0 103.634895 22.0 108.572754 19.0 109.040504 294.0 110.042274 53.0 110.958359 19.0 111.024025 22.0 111.043037 18.0 113.067307 22.0 114.05394 28.0 114.259506 22.0 116.925774 24.0 119.045975 20.0 120.941467 20.0 123.056412 20.0 124.287994 18.0 125.070801 1985.240845 125.509567 17.0 126.056267 57.0 126.078217 82.0 126.544044 21.0 127.050812 2603.713135 127.076233 63.627892 127.894135 18.0 128.035477 472.778046 128.051392 95.22197 129.026978 18.145426 129.053741 46.0 130.034241 25.0 130.050171 17.0 132.400146 21.0 133.30719 18.0 136.93541 40.0 137.023193 18.0 137.074005 195.006454 138.00531 22.0 138.054886 19.0 138.238602 18.0 140.122986 27.0 141.802292 22.0 141.914429 18.0 142.974503 26.0 143.081696 557.86792 143.366135 17.0 144.049072 19.0 144.081299 18.0 144.961609 18.0 145.015793 45.0 145.061554 4208.12793 145.151672 18.0 145.583328 21.0 146.061859 214.932465 153.859558 18.0 153.975372 17.0 155.075943 18.0 157.048767 18.0 159.634354 18.0 159.891235 87.0 162.932907 18.0 165.805603 17.0 166.219406 18.0 166.67511 20.0 169.06192 493.0 170.062225 25.0 172.689926 21.0 172.959564 18.0 175.918518 19.0 177.899323 43.0 179.905823 17.0 181.062866 91.0 182.069489 41.0 187.071625 276.0 188.075363 88.0 199.073334 459.766235 200.074783 58.0 215.681152 19.0 216.045166 18.0 216.850739 37.0 217.084152 1656.0 217.246643 22.0 218.082184 182.0 220.049652 19.0 221.160751 27.0 221.677567 17.0 225.830383 22.0 228.493149 18.0 247.104401 20.0 253.060547 25.0 262.269897 17.0 263.320038 26.0 281.537842 20.0 285.140503 20.0 297.939789 20.0 305.007477 18.0 309.720764 19.0 310.368286 18.0 341.601593 24.0 388.554138 18.0 396.645447 18.0 405.690094 18.0 406.24411 29.0 407.077362 18.0 410.256927 18.0 451.84845 31.0 491.394318 18.0 499.011169 22.0 502.924896 23.0 514.196411 17.0 587.196411 17.0 601.648376 34.0 636.219849 18.0 720.761902 18.0 893.691101 18.0 1064.318726 27.0 1124.671265 18.0 1148.773315 20.0 1168.904907 41.0 END IONS BEGIN IONS SCANS=257 PEPMASS=277.05566 CHARGE=0 COLLISION_ENERGY=0.0 50.043571 20.0 52.267952 18.0 52.398968 54.0 53.274216 17.0 55.123985 21.0 58.324074 39.0 58.756943 37.0 63.347202 20.0 66.442642 19.0 66.714851 23.0 68.993843 21.0 69.536301 19.0 70.185509 18.0 71.01226 21.0 71.416519 23.0 72.53756 25.0 73.031975 22.0 75.00676 21.0 77.417618 18.0 81.04438 17.0 83.009567 26.0 83.960594 30.0 85.029533 229.0 86.469322 24.0 87.007195 17.0 88.041519 33.0 88.252914 17.0 89.024719 19.0 91.975471 19.0 93.002831 22.0 93.170395 18.0 94.981293 26.0 96.047173 23.0 96.966789 87.0 97.033615 20.0 99.00695 186.0 100.857857 19.0 100.936455 65.0 101.924263 23.0 109.026947 18.0 109.966385 18.0 111.007072 38.0 112.72924 24.0 112.992622 28.0 113.022598 99.0 113.378647 17.0 113.995605 1849.0 114.340393 28.0 114.499268 19.0 115.00222 485.169678 115.039719 18.0 115.132019 19.0 116.000633 18.0 116.689972 23.0 117.009346 17.0 117.022537 20.0 118.985352 22.0 121.213058 26.0 123.051163 47.0 123.594513 20.0 123.686348 21.0 124.673119 20.0 125.018097 38.0 125.17997 21.0 126.947861 51.0 127.000023 59.0 129.018051 60.0 129.87146 44.0 131.035629 20.0 131.902252 18.0 135.068222 25.0 135.458344 22.0 136.299774 22.0 137.587601 22.0 139.006851 46.0 139.273361 21.0 139.936615 25.0 140.372498 17.0 141.015976 38.0 141.239105 20.0 141.416321 30.0 141.932693 21.0 142.602295 20.0 142.943176 22.0 143.029068 19.0 147.624954 19.0 148.990753 20.0 149.022171 33.0 151.037933 59.0 153.023926 21.0 153.476639 18.0 153.940765 17.0 154.634949 19.0 155.050064 18.0 155.890594 21.0 156.174652 20.0 157.017792 192.0 158.01886 39.0 158.444046 18.0 158.942566 39.0 159.68837 22.0 159.777206 18.0 164.068726 19.0 166.891342 31.0 167.945496 28.0 169.013718 62.0 169.500595 18.0 169.968918 18.0 170.946091 19.0 171.941742 18.0 173.47496 22.0 175.010193 18.0 177.024139 27.0 178.654861 26.0 180.05835 18.0 181.95639 33.0 182.940659 17.0 182.997864 22.0 183.065002 22.0 184.103195 18.0 184.957962 20.0 186.048752 17.0 187.104889 20.0 187.97963 17.0 188.036224 21.0 189.042587 33.0 192.446503 17.0 192.990112 18.0 195.486603 20.0 197.106262 18.0 199.015976 58.0 199.087036 18.0 200.023392 18.0 200.449966 19.0 204.491516 20.0 204.82756 18.0 207.865662 18.0 208.000656 17.0 209.055405 18.0 211.142471 37.0 217.039871 18.0 219.903336 25.0 221.054977 20.0 226.044846 31.0 234.015945 17.0 234.190231 20.0 238.078003 17.0 239.067627 25.0 241.638245 17.0 242.036331 18.0 242.9599 36.0 243.954422 18.0 247.415375 18.0 249.710831 28.0 252.460968 17.0 258.983521 35.0 259.060883 29.0 260.165741 23.0 267.498535 26.0 272.294495 33.0 275.006226 20.0 276.105621 20.0 277.055237 2448.0 277.969208 18.0 278.058258 264.0 278.0914 20.0 278.986877 18.0 279.061554 60.0 280.00943 18.0 287.347198 17.0 288.655365 22.0 304.09668 21.0 313.148834 18.0 333.671387 22.0 336.392792 18.0 337.404053 18.0 340.029877 21.0 349.068298 39.0 358.944031 25.0 361.953827 24.0 374.090729 22.0 375.473816 28.0 393.119873 18.0 393.389313 46.0 394.026733 18.0 412.031616 22.0 417.977081 34.0 420.96637 22.0 429.123322 20.0 452.094208 18.0 455.348999 18.0 457.234131 47.999996 476.125885 29.000002 486.704437 18.0 509.943787 34.0 530.130554 23.0 727.030579 23.0 859.03949 21.0 908.052185 21.0 961.233948 17.0 978.55127 20.0 1004.246399 18.0 1005.164978 25.0 1023.144531 23.0 1036.878052 27.0 1052.541626 23.0 1087.114746 18.0 1095.387451 27.0 1104.606567 18.0 1141.311768 18.0 1154.448608 27.0 1155.446411 18.0 1168.090454 18.0 1188.219238 20.0 1194.001099 18.0 END IONS BEGIN IONS SCANS=258 PEPMASS=196.07202 CHARGE=0 COLLISION_ENERGY=0.0 50.169811 20.0 50.51466 18.0 51.266438 17.0 52.30246 22.0 54.028309 45.0 54.452625 17.0 54.721729 20.0 56.247936 18.0 57.244831 25.0 57.312054 31.0 58.0294 19.0 58.13903 19.0 59.014194 20.0 61.435905 20.0 61.787979 18.0 61.988026 18.0 64.811378 20.0 65.719398 21.0 66.602676 18.0 67.973015 18.0 68.537582 22.0 68.640663 18.0 69.775436 43.0 71.343452 26.0 73.36557 39.0 73.493675 23.0 74.8564 28.0 75.182228 18.0 76.240501 22.0 76.344986 17.0 78.033936 17.0 79.425095 22.0 79.766945 46.0 80.03653 266.0 81.045273 502.111176 81.904312 18.0 82.050941 20.0 83.048965 18.0 83.92852 17.0 84.60479 19.0 85.761749 18.0 86.731644 17.0 86.894173 22.0 87.491776 18.0 90.287117 20.0 91.668724 20.0 93.04567 413.0 93.869064 20.0 94.049332 18.0 94.287437 36.0 95.123711 18.0 95.210159 26.0 96.957237 37.0 98.024094 175.0 99.003746 18.0 99.544861 18.0 99.92347 46.0 100.833267 26.0 100.931877 22.0 101.990837 20.0 102.601471 19.0 107.057671 64.0 108.016228 20.0 108.053452 53.0 109.068665 17.0 110.045105 35.0 110.072075 5778.0 111.075073 383.0 112.074463 33.0 114.016823 21.0 115.030632 26.0 116.925743 54.0 121.381821 43.0 121.943291 19.0 122.447769 18.0 123.704369 18.0 124.402443 18.0 125.108612 19.0 129.979538 18.0 130.075775 18.0 130.985703 24.0 132.904587 26.0 133.06749 22.0 134.071793 272.0 135.008896 18.0 135.076492 57.0 135.958923 32.0 136.051331 126.0 136.086227 18.0 136.175125 17.0 136.395065 22.0 137.034683 247.0 138.450455 18.0 142.321121 18.0 146.970428 94.0 150.055374 20.0 150.404037 18.0 151.076126 37.0 151.977844 17.0 152.014297 22.0 152.036072 18.0 152.080719 90.0 152.342377 24.0 154.028488 20.0 154.061127 2100.839844 154.936447 18.0 155.066025 199.0 155.37442 28.0 156.019699 19.0 156.068863 20.0 158.890488 35.0 159.893295 336.0 160.327072 19.0 160.640717 18.0 160.890717 24.0 161.901611 20.0 162.008392 28.0 162.18367 35.0 162.264938 18.0 162.941513 22.0 167.717224 18.0 168.163605 23.0 170.877884 21.0 175.124832 18.0 175.982132 20.0 176.894241 478.0 177.891495 106.0 177.907776 54.0 178.0625 53.0 178.889267 87.54229 178.984741 18.0 179.887848 20.0 179.937485 18.0 180.864075 18.0 181.000473 20.0 182.819092 27.0 188.188873 18.0 188.848633 38.0 189.968536 22.0 194.907837 169.0 195.905151 17.0 196.072357 1181.0 196.905289 39.0 197.072189 59.0 197.094635 17.0 197.269913 18.0 198.075531 18.0 198.942642 21.0 205.631882 23.0 206.083374 18.0 206.657806 17.0 208.049347 18.0 217.097061 22.0 220.730804 23.0 232.251022 18.0 236.708786 33.0 241.95163 20.0 246.705414 17.0 247.35289 25.0 248.65741 18.0 249.283157 22.0 259.065643 27.0 266.426819 17.0 267.585754 18.0 275.311554 18.0 277.186798 21.0 279.575012 18.0 283.00293 19.0 288.506653 35.0 293.894165 19.0 297.036011 33.0 303.956055 27.0 304.337616 20.0 307.226868 18.0 309.453156 22.0 320.152039 18.0 327.95932 18.0 331.799072 21.0 333.381866 18.0 346.436981 17.0 357.454315 18.0 371.581757 19.0 376.177368 26.0 394.703918 17.0 414.559662 30.0 442.569366 19.0 444.966064 21.0 461.309601 17.0 469.683594 20.0 481.687988 24.0 487.360626 20.0 508.740265 38.0 515.249329 18.0 522.661133 18.0 563.138306 25.0 577.268799 18.0 577.836243 31.0 676.679993 20.0 680.383606 18.0 879.771057 17.0 888.893677 20.0 946.887939 18.0 958.864685 18.0 1011.192749 24.0 1019.148438 18.0 1077.018433 17.0 1093.657349 17.0 1136.47522 18.0 1142.95459 22.0 1146.706299 18.0 1153.770996 20.0 1171.653564 18.0 1183.27124 20.0 1192.949463 20.0 1197.721802 17.0 END IONS BEGIN IONS SCANS=259 PEPMASS=551.16148 CHARGE=0 COLLISION_ENERGY=0.0 50.277737 25.0 50.458553 20.0 50.784946 23.0 53.694614 21.0 53.936802 26.0 55.732723 22.0 56.652447 20.0 58.836567 21.0 59.012333 37.0 59.655716 18.0 60.65234 21.0 62.348721 21.0 63.823322 24.0 64.716431 24.0 65.559502 18.0 65.77285 33.0 65.832642 36.0 66.533257 22.0 66.999313 22.0 68.281921 27.0 68.548462 22.0 68.77272 26.0 70.731468 60.0 70.871429 18.0 71.012924 154.0 71.186958 49.0 72.235985 18.0 73.030441 18.0 74.237801 23.0 77.385132 19.0 78.270401 22.0 78.397926 23.0 79.897369 21.0 81.033844 41.0 82.22303 20.0 82.231064 17.0 82.725632 21.0 82.808258 24.0 83.011673 46.0 83.38269 18.0 84.069214 22.0 85.0271 57.0 85.233101 33.0 85.40538 19.0 86.02813 37.0 87.006378 18.0 87.040253 17.0 89.025124 165.0 90.220673 27.0 91.055214 18.0 93.032539 38.0 95.011864 20.0 96.664398 24.0 97.029831 96.0 97.533478 19.0 98.029549 18.0 99.006355 21.0 99.043892 112.0 101.02462 335.0 101.524818 24.0 104.861313 18.0 105.032349 26.0 107.040833 21.0 109.02961 20.0 110.486526 18.0 110.592155 29.0 111.051308 20.0 111.749336 23.0 113.024567 270.0 115.039856 38.0 117.45488 33.0 118.022842 18.0 118.860054 22.0 119.032722 308.801819 119.140114 35.0 119.24511 21.0 120.035034 36.0 121.026588 35.0 121.375275 20.0 122.186623 18.0 124.724228 22.0 127.90519 53.0 131.03392 70.0 134.032654 24.0 135.043762 38.0 136.166763 17.0 136.627258 18.0 137.059204 213.0 138.030319 19.0 139.040909 147.0 139.06604 21.0 139.581131 20.0 139.959763 34.0 140.039032 26.0 141.402573 20.0 141.578415 18.0 142.023407 20.0 143.033569 180.0 143.796677 23.0 144.037109 28.0 144.916061 18.0 145.706863 24.0 147.043076 53.0 147.449631 27.0 149.046219 98.0 151.283615 17.0 152.772507 19.0 153.055069 119.0 157.049026 20.0 160.707718 33.0 161.045654 437.154358 162.419083 21.0 165.055344 269.0 165.97435 23.0 167.034576 24.0 170.763168 18.0 173.683167 18.0 179.055222 571.265259 179.884583 18.0 180.058304 37.0 181.065826 18.0 183.06279 265.0 184.067291 18.0 185.045944 19.0 185.332413 22.0 186.046524 18.0 191.032227 60.0 193.077087 36.0 197.128754 23.0 202.150635 37.0 204.568939 18.0 205.040497 64.0 208.033218 22.0 209.045746 836.0 210.039734 21.0 210.056702 21.0 212.053894 18.0 219.47406 18.0 221.066467 862.633728 222.069672 228.0 223.069138 17.0 224.950165 24.0 227.053009 100.0 228.061874 48.0 229.063644 39.0 238.866135 22.0 240.877686 21.0 240.962845 18.0 243.034317 18.0 247.000168 18.0 248.078125 24.0 248.907196 23.0 254.057526 17.0 258.972595 21.0 263.076569 107.0 265.148621 18.0 266.792572 18.0 267.286102 20.0 270.37674 18.0 271.098938 22.0 274.887543 35.0 275.9039 18.0 280.255798 18.0 281.067902 139.0 283.036926 17.0 284.687347 18.0 288.121796 18.0 291.887115 22.0 295.095581 18.0 301.151031 17.0 303.734619 19.0 307.653656 18.0 312.113312 18.0 314.1138 20.0 315.122528 18.0 319.900757 18.0 322.843719 21.0 323.096588 56.0 325.618103 18.0 331.102173 20.0 345.122772 22.0 347.080505 25.0 355.088745 28.0 357.849396 21.0 358.275909 25.0 358.570984 17.0 366.837708 17.0 369.881927 20.0 371.095459 39.0 378.745483 21.0 379.657776 20.0 387.407715 39.0 392.346008 24.0 392.944336 18.0 399.144379 18.0 404.050842 18.0 408.65509 20.0 409.064026 17.0 414.941467 20.0 418.704285 28.999998 426.982086 20.0 429.809265 22.0 448.191223 18.0 455.625061 52.707893 455.656769 21.0 463.121033 22.0 478.8479 72.0 478.991882 21.0 481.968933 18.0 491.003448 17.0 506.547974 19.0 507.171387 59.0 509.172424 17.0 516.042542 21.0 520.210266 20.0 522.25 24.0 523.219238 19.0 542.552917 18.0 551.159424 4427.789551 551.355957 18.0 551.669983 18.0 552.163757 1238.0 553.16864 262.0 554.049622 25.0 554.163818 73.0 556.157837 19.0 560.084778 27.0 573.140381 18.0 603.171814 19.0 634.614258 20.0 667.193787 26.0 675.372498 18.0 695.06958 18.0 723.230652 18.0 723.801941 18.0 740.196289 18.0 754.050842 22.0 756.242737 19.0 764.542664 19.0 795.238953 20.0 884.823669 18.0 885.226196 34.0 904.704529 18.0 913.563782 20.0 915.524414 29.0 916.830505 18.0 991.186584 19.0 1031.259277 20.0 1039.621704 17.0 1055.223389 20.0 1065.136108 19.0 1071.224121 20.0 1101.724121 22.0 1103.143799 27.0 1113.03125 19.0 1115.641235 22.0 1125.696655 26.0 1131.954102 23.0 1134.786987 24.0 1174.658691 21.0 1181.160767 21.0 1181.244995 25.0 1184.606201 21.0 1189.618408 21.0 END IONS BEGIN IONS SCANS=260 PEPMASS=283.10254 CHARGE=0 COLLISION_ENERGY=0.0 59.010612 18.0 71.014755 21.0 73.265083 31.0 73.466949 22.0 74.023888 18.0 75.897682 20.0 77.055252 20.0 83.992813 17.0 84.338219 17.0 85.027702 39.0 85.720856 17.0 86.86351 23.0 89.02507 67.0 91.688683 17.0 95.071754 37.0 97.059746 18.0 101.026115 23.0 103.030334 20.0 108.386818 22.0 112.089882 22.0 113.024063 20.0 119.035538 41.0 121.04763 61.0 125.027679 18.0 125.904144 21.0 127.091255 23.0 127.383408 25.0 128.756256 31.0 129.103165 293.0 131.083527 638.0 131.8172 18.0 132.087814 18.0 133.086121 23.0 148.910294 34.0 154.09996 22.0 155.086639 32.0 156.080948 61.0 156.560104 18.0 157.010178 31.0 161.041489 20.0 163.004333 24.0 163.315704 18.0 163.857239 52.0 171.073044 17.0 173.09761 1539.0 174.105148 53.0 176.900696 17.0 178.04744 20.0 179.031693 18.0 179.05896 65.0 180.080231 17.0 180.095261 19.0 181.484482 18.0 184.010727 22.0 187.057602 25.0 193.265762 18.0 198.088547 163.0 198.519592 83.0 210.124573 20.0 213.100235 20.0 214.476639 26.0 215.114502 1605.052734 216.117401 121.850128 216.135422 35.0 216.579498 19.0 217.118454 31.0 218.002167 17.0 218.085693 21.0 219.797562 24.0 235.952499 23.0 236.072708 18.0 242.014557 26.0 242.072739 20.0 243.974106 24.0 249.442688 32.0 271.06781 24.0 272.922882 19.0 283.1091 36.0 283.266602 17.0 284.126526 34.0 286.037354 18.0 287.083466 21.0 287.113068 17.0 324.240814 20.0 341.934509 17.0 421.180542 20.0 431.696198 23.0 533.138428 20.0 563.166321 27.0 936.678284 17.0 END IONS BEGIN IONS SCANS=261 PEPMASS=156.02736 CHARGE=0 COLLISION_ENERGY=0.0 51.122826 23.0 51.148827 20.0 51.936905 18.0 53.207413 21.0 53.485119 27.0 54.34713 18.0 54.61338 65.763824 54.621258 26.400156 54.888615 34.0 55.181953 17.0 56.332771 18.0 57.126411 22.0 57.183502 18.0 57.236725 20.0 57.334068 17.0 57.595592 28.0 57.649174 20.0 58.502262 18.0 58.979271 22.0 59.829731 18.0 59.895096 21.0 60.745247 37.0 61.535507 18.0 62.117523 18.0 62.231892 18.0 62.531532 22.0 65.460602 35.0 68.393456 17.0 70.01545 33.0 70.42894 18.0 70.575241 20.0 73.074989 20.0 75.366692 32.0 76.009781 17.0 76.179611 18.0 77.893906 24.0 79.229019 23.0 79.3153 20.0 79.699699 22.0 80.144234 23.0 80.545303 18.0 81.179169 24.0 81.490288 32.0 81.642799 28.0 82.188438 18.0 82.87384 17.0 83.455078 17.0 84.247459 37.0 84.298668 18.0 86.146339 18.0 86.291725 18.0 86.827972 36.0 88.039978 3164.0 89.023148 37.0 89.040367 136.67482 89.049957 74.32518 89.324371 19.0 90.039268 22.0 90.362167 28.0 91.697136 18.0 92.552444 20.0 93.805527 36.0 95.187607 18.0 95.261414 28.0 97.419373 27.0 98.254112 20.0 98.864105 18.0 99.575981 22.0 100.329185 18.0 101.58918 18.0 101.6446 26.0 102.069618 29.0 102.581573 18.0 102.900658 23.0 103.983345 20.0 104.547348 32.0 104.899025 30.0 108.271812 18.0 108.511253 28.0 110.227821 22.0 110.438187 20.0 110.719269 33.0 112.98867 22.0 113.411873 18.0 114.7677 20.0 119.130997 22.0 119.907883 20.0 121.279633 21.0 122.718201 37.0 124.917686 18.0 125.874588 18.0 125.979599 19.0 128.460861 17.0 128.903946 21.0 129.629578 29.0 129.796936 26.0 129.995758 18.0 130.075653 20.0 130.130157 21.0 130.355164 40.0 130.419144 21.0 131.398315 22.0 131.90831 18.0 133.109497 37.0 134.823669 18.0 137.740845 19.0 140.282547 20.0 140.906708 17.0 144.431793 22.0 145.172012 21.0 146.046646 27.0 147.591156 24.0 148.506989 21.0 152.703644 33.0 153.650497 24.0 155.035522 18.0 155.358765 17.0 156.026535 203.0 159.008041 18.0 159.894684 18.0 163.997375 17.0 164.455978 26.0 167.065918 18.0 168.911285 21.0 169.021103 28.0 172.354858 27.0 173.033737 24.0 176.953018 20.0 178.269806 19.0 178.356064 19.0 196.113678 18.0 196.445816 22.0 196.651276 22.0 206.371262 24.0 208.739502 18.0 212.832581 23.0 212.932785 19.0 213.89946 18.0 219.303696 34.0 219.558685 18.0 219.943115 20.0 223.590515 19.0 234.690506 29.0 234.818893 17.0 237.705826 22.0 238.921402 18.0 248.970718 17.0 249.545822 22.0 253.937592 30.0 254.450012 17.0 264.093109 18.0 273.945312 18.0 277.159058 18.0 277.220825 17.0 289.061737 17.0 293.674438 20.0 296.228394 22.0 299.9086 26.0 304.658478 20.0 307.239502 18.0 312.722107 21.0 319.606812 24.0 321.736877 18.0 326.426666 18.0 328.281769 18.0 331.32373 43.0 338.050262 18.0 343.529724 37.0 347.472687 26.0 369.725128 20.0 371.536835 19.0 374.122345 25.0 388.700684 20.0 389.857819 21.0 397.567505 22.0 403.022736 18.0 406.901581 37.0 420.267334 25.0 425.512909 20.0 434.391937 31.0 447.539581 54.0 452.645508 17.0 458.53299 18.0 459.641479 24.0 463.493408 18.0 469.082397 32.0 474.32782 17.0 485.863434 18.0 486.911743 20.0 583.210022 38.0 610.439941 20.0 674.98053 19.0 726.211609 17.0 733.660645 21.0 833.949768 18.0 849.126099 18.0 1033.018799 30.0 1101.041382 18.0 1124.886963 24.0 1158.926758 18.0 1180.925659 19.0 END IONS BEGIN IONS SCANS=262 PEPMASS=248.96001 CHARGE=0 COLLISION_ENERGY=0.0 50.521179 18.0 51.487762 19.0 53.014027 18.0 54.203384 19.0 54.484852 22.0 55.064121 17.0 57.279999 22.0 61.815464 22.0 62.100597 20.0 62.23761 20.0 63.774509 25.0 64.604156 37.0 68.131752 24.0 68.995461 73.0 69.771774 23.0 71.085983 17.0 72.391457 19.0 73.023903 18.0 74.237602 18.0 74.700249 31.0 76.666237 22.0 77.543793 25.0 78.04863 18.0 78.100067 18.0 78.114044 17.0 78.915611 20.0 78.981606 26.0 79.096458 18.0 80.309631 18.0 82.475548 21.0 82.542053 26.0 84.98912 17.0 86.144066 39.0 86.49453 51.0 86.803108 17.0 87.173996 17.0 88.952698 20.0 89.025826 20.0 89.300346 17.0 89.328423 34.0 91.684937 62.0 92.3414 29.0 97.159821 27.0 98.171867 20.0 98.972214 22.0 99.550926 18.0 100.304047 20.0 107.081085 56.0 107.117043 28.0 112.661263 18.0 112.985115 5443.503906 113.29821 18.0 113.987717 118.0 114.616852 34.0 114.684319 18.0 114.993706 41.0 116.271309 19.0 116.636879 32.0 121.591988 28.0 122.034035 18.0 125.779243 34.0 129.113739 34.0 129.574173 20.0 136.926636 27.0 137.541397 20.0 139.546783 25.0 146.467712 21.0 149.255325 35.0 150.098267 19.0 151.170258 24.0 156.021545 17.0 156.312027 52.0 160.727509 18.0 163.655762 20.0 167.076447 17.0 168.227539 20.0 169.947601 41.0 176.670898 27.0 177.451218 20.0 178.095535 31.0 180.968933 38.0 186.698715 20.0 190.6185 34.0 191.64325 18.0 193.507126 27.0 194.845352 24.0 197.580688 20.0 200.499374 18.0 200.572723 39.0 201.037643 18.0 201.686188 28.0 203.638 24.0 206.69632 40.0 206.829803 28.0 210.823105 25.0 212.224304 19.0 220.835312 21.0 237.747757 22.0 248.955811 72.0 250.143356 22.0 251.094452 30.0 251.157166 43.0 260.751007 20.0 266.251678 42.0 276.465393 18.0 285.06485 19.0 296.705109 24.0 299.026825 18.0 302.574249 18.0 309.116608 33.0 316.944977 20.0 357.410919 19.0 365.222198 18.0 376.089844 32.0 384.937469 60.0 385.936951 17.0 389.361176 27.0 403.996582 37.0 407.432129 41.0 408.271851 20.0 418.04364 23.0 452.915009 18.0 459.311371 28.0 472.730927 41.0 475.800903 18.0 489.451202 18.0 506.405762 29.0 523.53595 28.0 529.343994 30.0 640.538513 23.0 675.297913 29.0 686.670532 28.0 694.193665 21.0 712.727173 26.0 722.961731 20.0 757.946716 20.0 814.323059 29.0 857.66925 22.0 971.848572 18.0 1018.34845 27.0 1052.342651 38.0 1062.878296 17.0 1065.325928 18.0 1065.80542 29.0 1099.310669 18.0 1147.145142 21.999998 1161.79834 17.0 1162.14563 40.0 1170.144653 20.0 1177.744873 18.0 1178.21814 18.0 1189.312378 22.0 END IONS BEGIN IONS SCANS=263 PEPMASS=118.05036 CHARGE=0 COLLISION_ENERGY=0.0 50.542171 18.0 50.871281 26.0 53.674629 20.0 53.996918 18.0 56.839947 22.0 57.406071 17.0 58.184349 21.0 58.311359 27.0 58.402905 17.0 60.01318 18.0 61.067928 31.0 62.334183 18.0 63.885212 22.0 64.473747 18.0 64.563484 20.0 65.110596 22.0 65.267403 20.0 66.234703 18.0 66.340759 18.0 66.404289 23.0 66.904388 20.0 66.924065 18.0 67.350121 26.0 67.396606 18.0 67.444771 17.0 67.795349 24.0 67.809624 17.0 68.43438 26.0 68.992615 18.0 69.673401 20.0 71.937988 26.0 71.97068 20.0 72.306519 18.0 72.41774 22.0 72.799347 22.0 73.123123 18.0 73.150452 20.0 73.715202 31.0 74.02552 693.439026 74.088982 26.0 74.2658 20.0 74.307556 19.0 75.028877 142.0 75.451027 20.0 75.683792 24.0 77.660782 21.0 77.743309 18.0 79.762901 28.0 82.787575 17.0 84.433395 18.0 85.366692 17.0 85.546608 21.0 87.083504 22.0 87.616127 27.0 87.777313 25.0 89.269646 20.0 90.297897 18.0 90.373978 18.0 90.75631 22.0 91.314537 19.0 91.658897 38.0 92.137955 28.0 92.266251 26.0 92.765846 20.0 93.07547 18.0 93.322433 25.0 93.971672 17.0 94.065765 24.0 94.947731 18.0 94.984413 24.0 98.100937 17.0 98.17086 23.0 100.060219 17.0 101.926163 20.0 102.225792 18.0 103.419151 17.0 103.63221 18.0 104.315994 23.0 107.199051 20.0 107.278877 18.0 108.087135 20.0 108.642349 26.0 109.781105 18.0 109.98037 18.0 112.593048 31.0 115.566246 21.0 115.724747 22.0 116.855865 52.0 116.917542 19.0 118.050613 507.0 119.045578 17.084736 119.05761 47.437317 121.369888 20.0 122.069191 18.0 122.244896 21.0 122.596504 19.0 122.627998 28.0 122.982811 18.0 124.574959 18.0 125.093018 25.0 126.499275 20.0 126.792999 18.0 128.165192 18.0 129.022705 20.0 131.584656 22.0 131.962341 22.0 133.869888 20.0 133.955521 20.0 134.085083 29.0 135.406876 21.0 135.451111 18.0 136.027191 29.0 139.951736 20.0 140.366516 18.0 140.792114 18.0 140.928024 21.0 142.860199 18.0 143.226349 18.0 145.50032 20.0 147.169128 19.0 147.473984 18.0 150.464325 18.0 152.700745 18.0 153.978165 20.0 154.421753 22.0 156.877029 22.0 160.206268 28.0 161.689316 20.0 162.707077 23.0 163.114441 24.0 165.122482 19.0 167.528656 17.0 169.78508 18.0 171.000336 21.0 171.061462 18.0 171.229691 19.0 175.224869 17.0 175.756287 40.0 176.906326 29.0 177.023468 17.0 179.059525 24.0 181.722672 18.0 183.481796 18.0 185.877701 18.0 186.041916 55.0 186.765167 22.0 187.641205 40.0 188.361542 17.0 188.577591 21.0 190.077652 20.0 191.363831 20.0 191.43335 18.0 194.442001 28.0 197.447845 18.0 197.590775 48.0 198.178223 37.0 198.392456 21.0 207.295532 21.0 207.712906 24.0 210.991791 17.0 212.53717 18.0 216.140457 18.0 218.651123 20.0 221.070923 19.0 225.161835 17.0 226.105347 22.0 229.025208 18.0 230.750031 20.0 230.774643 20.0 232.779572 17.0 233.501022 18.0 235.458847 26.0 237.621765 23.0 241.747086 22.0 242.709763 20.0 243.764191 18.0 253.641663 19.0 254.363464 22.0 255.03096 21.0 259.094421 72.0 260.646759 20.0 265.050995 45.0 268.386139 29.0 270.286316 18.0 271.787598 18.0 273.681091 26.0 275.492035 22.0 280.313721 21.0 293.559235 20.0 299.199615 20.0 302.524414 18.0 304.95813 25.0 308.774445 22.0 315.393677 22.0 316.940918 18.0 333.079865 20.0 336.648438 22.0 341.07019 49.0 343.926941 18.0 345.4935 26.0 348.125854 18.0 353.903381 24.0 356.390259 18.0 357.662445 20.0 359.985687 21.0 362.730927 19.0 363.169586 18.0 368.529999 20.0 393.779388 35.0 399.289459 19.0 409.935516 25.0 411.289917 21.0 413.45697 19.0 417.929016 18.0 518.533997 23.0 522.285706 20.0 539.795532 18.0 571.765259 22.0 583.477051 23.0 585.889282 18.0 598.000793 45.0 615.100098 18.0 625.90918 25.0 647.122375 33.0 701.891602 18.0 706.284424 18.0 761.329346 22.0 780.20636 17.0 824.152649 18.0 830.106506 21.0 851.407349 20.0 872.41748 18.0 876.05542 21.0 898.971375 17.0 909.794189 19.0 936.593994 18.0 957.11554 19.0 982.536743 22.0 992.917053 24.0 1018.063599 18.0 1018.975464 17.0 1019.301575 24.0 1023.135315 20.0 1028.996216 18.0 1029.223022 18.0 1035.180176 24.0 1060.61084 22.0 1073.858643 23.0 1083.491821 18.0 1101.163208 18.0 1110.116211 45.0 1121.119263 21.0 1124.628052 20.0 1125.972656 20.0 1128.11499 21.0 1130.550049 20.0 1139.66272 19.0 1149.112549 19.0 1156.586426 22.0 1158.062012 18.0 1162.047852 29.0 1165.876221 29.0 1178.154541 18.0 1199.030029 20.0 1199.520386 19.0 END IONS BEGIN IONS SCANS=264 PEPMASS=259.09075 CHARGE=-1 COLLISION_ENERGY=0.0 51.497215 18.0 56.130611 33.0 56.241127 24.0 56.402565 21.0 56.570465 18.0 56.60453 48.0 57.17038 18.0 57.756912 18.0 58.128635 23.0 58.988255 25.0 61.149879 31.0 62.355068 25.0 63.133022 45.0 65.266983 18.0 66.652313 22.0 69.041039 19.0 72.443527 19.0 72.974655 17.0 73.713951 19.0 74.02449 4559.105957 74.361435 26.0 74.464592 60.0 74.618477 22.0 74.929779 18.0 75.024422 135.0 75.062485 18.0 75.072334 18.0 76.474442 18.0 77.654465 23.0 78.012062 25.0 78.634377 24.0 79.957291 18.0 81.282387 17.0 82.563568 19.0 82.689529 27.0 83.926941 18.0 84.18383 23.0 84.854446 18.0 86.915237 25.0 87.584885 52.0 88.00499 21.0 88.040306 20.0 88.068771 24.0 89.102417 22.0 89.764336 23.0 90.490807 22.0 90.98748 22.0 92.01461 20.0 92.253731 31.0 93.951675 29.0 94.420998 18.0 96.047379 28.0 96.512856 23.0 96.96772 17.0 97.843208 20.0 98.983582 36.0 100.413269 18.0 100.544029 18.0 100.721382 18.0 102.752914 22.0 103.281265 20.0 103.424385 28.0 104.204033 19.0 104.963478 23.0 105.437218 21.0 109.029778 18.0 109.869118 22.0 113.490082 18.0 114.017128 26.0 114.614731 22.0 114.944115 20.0 116.78669 20.0 117.075676 18.0 117.311813 21.0 118.050285 17701.0 118.205551 19.0 118.255379 23.0 118.26619 19.0 118.345207 18.0 118.570648 18.0 119.054497 1007.540283 119.178627 26.0 119.426109 24.0 119.498413 17.0 119.582726 35.0 119.904572 18.0 120.055862 149.0 121.296349 18.0 122.361679 18.0 124.009354 208.0 124.596123 19.0 127.904617 18.0 127.961136 18.0 128.903412 44.0 130.490341 18.0 133.983932 18.0 134.260223 19.0 134.630783 22.0 138.593521 29.0 139.989227 19.0 140.031479 378.275757 141.032639 21.0 141.933624 23.0 144.805817 36.0 145.895767 36.0 146.893188 26.0 146.941055 24.0 149.553894 18.0 152.938171 41.0 153.031006 24.0 156.901962 22.0 157.075668 19.0 158.040436 25.0 158.894318 19.0 159.509033 23.0 160.021072 22.0 162.888443 18.0 163.920258 18.0 165.45343 19.0 166.836166 29.0 168.946762 18.0 171.037735 122.0 172.314423 19.0 173.907684 19.0 173.944473 18.0 179.837723 18.0 180.922745 24.0 185.923233 18.0 186.032242 18.0 188.213165 18.0 189.94223 20.0 191.989197 57.0 193.865067 19.0 194.247833 17.0 200.255753 19.0 203.962982 26.0 209.88324 24.0 210.95076 20.0 211.305191 18.0 212.839569 32.0 214.016754 20.0 214.687042 20.0 215.064651 214.0 217.064148 17.0 231.05336 22.0 232.351471 18.0 232.962799 19.0 234.174637 20.0 252.291534 23.0 253.243866 18.0 255.242661 20.0 255.349365 23.0 256.155182 22.0 259.090881 2395.542725 259.812958 19.0 260.063477 40.0 260.096008 225.624634 261.063599 36.0 261.104584 36.0 263.052063 21.0 265.048737 35.0 265.215759 30.0 266.001282 45.0 270.452332 29.0 271.70166 20.0 275.997925 27.0 276.553894 19.0 278.693451 18.0 309.90152 36.0 313.606232 22.0 314.984802 21.0 326.004181 25.999998 326.075317 18.0 328.250793 21.0 337.137909 18.0 344.566956 18.0 351.714935 18.0 375.779083 33.0 377.601593 18.0 378.435303 24.0 382.844452 18.0 385.388916 24.0 386.535065 17.0 390.229431 18.0 397.095612 18.0 410.51297 19.0 411.125366 17.0 412.08548 18.0 430.930756 17.0 444.960693 22.0 449.482971 32.0 462.158508 18.0 476.491821 18.0 507.846832 20.0 536.096436 18.0 622.679321 18.0 625.610229 18.0 670.663513 28.0 755.783081 20.0 875.506531 18.0 881.852783 42.0 1040.829468 30.0 1089.086182 23.0 1119.542847 19.0 1124.970703 18.0 1178.594238 17.0 END IONS BEGIN IONS SCANS=265 PEPMASS=460.16647 CHARGE=-1 COLLISION_ENERGY=0.0 50.499882 17.0 51.657368 21.0 52.482609 20.0 53.486679 21.0 54.166401 20.0 54.822807 18.0 55.017902 18.0 55.458115 18.0 55.644367 18.0 55.979759 17.0 57.695183 20.0 59.012604 176.0 61.083778 18.0 61.902435 18.0 63.947918 20.0 64.090332 20.0 65.135384 20.0 66.755386 30.0 67.132622 20.0 67.970184 20.0 71.013885 435.0 71.0578 20.0 72.946434 21.0 73.486992 22.0 74.024055 611.0 74.158539 19.0 75.030411 17.0 75.273193 20.0 75.424339 17.0 79.26487 18.0 80.836494 18.0 80.94104 18.0 82.114815 65.0 84.617554 22.0 85.027771 139.0 85.586662 22.0 86.082619 28.0 87.010056 59.0 89.02314 1207.0 90.027115 86.0 90.131264 22.0 90.390778 35.0 91.42849 23.0 91.765587 38.0 92.224052 27.0 92.672043 19.0 95.012642 77.0 100.708122 22.0 100.73642 17.0 101.025146 474.0 102.023895 19.0 102.042595 32.0 102.18721 20.0 103.012238 18.0 104.927864 26.0 107.03286 17.0 108.65509 18.0 111.389481 19.0 112.374588 24.0 112.702324 18.0 113.024307 2102.0 113.049721 25.0 113.993507 17.0 114.02594 84.0 114.418831 21.0 115.204071 19.0 116.428757 18.0 118.049896 8711.616211 118.462334 18.0 118.684738 18.0 118.734528 22.0 118.847939 17.0 119.034973 1271.942749 119.053116 506.05722 119.143471 17.0 119.333748 18.0 119.543869 19.0 119.826477 18.0 120.044006 76.234566 120.055756 108.551758 120.654968 19.0 120.893761 20.0 122.342628 23.0 123.899948 18.0 124.008598 478.0 124.294197 19.0 125.011955 30.0 125.282387 18.0 131.0345 49.0 132.036377 17.0 133.29454 18.0 136.51683 20.0 139.356567 21.0 141.347015 22.0 143.034302 209.0 144.034454 18.0 146.171494 18.0 146.889664 22.0 147.857178 31.0 148.692429 21.0 149.046112 106.0 150.314651 24.0 151.967407 25.0 154.728928 20.0 160.874893 24.0 161.044891 1799.0 161.456985 18.0 162.049423 42.0 166.048477 18.0 166.993515 19.0 167.038818 25.0 167.138779 27.0 171.003448 22.0 179.054871 2726.429688 180.058624 203.0 180.342056 18.0 180.973877 37.0 181.058502 58.0 183.027817 20.0 183.637695 18.0 186.042984 101.0 188.046036 17.0 191.801086 28.0 191.937592 20.0 191.996979 72.0 194.321716 18.0 195.15123 42.0 195.790237 19.0 199.042999 20.0 201.70636 20.0 203.045502 18.0 206.1866 18.0 207.587769 20.0 211.8862 24.0 212.197968 30.0 214.956757 22.0 222.075089 23.0 225.572235 21.0 230.62442 18.0 233.065765 37.0 233.998611 33.0 238.748581 18.0 244.419144 28.0 245.251556 26.0 246.00679 17.0 249.072372 20.0 250.567841 21.0 250.88681 18.0 250.961288 18.0 251.075272 162.0 251.52861 18.0 252.075928 18.0 254.162537 17.0 254.183975 19.0 255.237503 21.0 256.91748 20.0 259.088379 103.0 260.102478 18.0 265.044464 58.0 268.785461 17.0 268.809113 26.0 271.000275 62.0 278.64566 18.0 293.496155 18.0 297.997101 18.0 299.085449 23.0 302.102234 21.0 302.296478 30.0 305.089935 26.0 313.055328 21.0 313.977844 18.0 314.009033 17.0 321.665985 17.0 322.130249 18.0 323.094696 38.0 326.673431 22.0 327.080353 27.0 335.645538 22.0 341.108704 202.0 343.127319 30.0 356.598145 18.0 357.589355 28.0 376.009796 18.0 377.077881 22.0 381.418365 24.0 389.081757 26.0 403.857697 19.0 407.961456 20.0 409.342926 22.0 413.523804 22.0 413.745972 17.0 443.137085 29.0 460.167267 330.0 460.239624 47.0 460.9841 18.0 461.169006 187.0 464.101532 18.0 466.941467 24.0 467.615814 18.0 468.68457 17.0 487.223633 22.0 537.199768 18.000002 538.991821 18.0 546.934021 18.0 585.919189 20.0 618.226807 21.0 662.660889 22.0 682.399353 20.0 728.658264 17.0 730.608887 21.0 742.051758 21.0 767.655029 31.999998 810.108398 21.0 814.931519 29.0 854.998169 20.0 856.006653 18.0 917.029175 17.0 943.985962 29.0 957.341553 18.0 972.037048 20.0 985.411621 29.000002 994.118713 20.0 1022.55719 20.0 1024.030518 21.0 1035.061401 18.0 1041.000854 28.0 1053.007446 17.0 1066.689087 30.0 1066.851685 18.0 1083.394409 25.0 1092.593018 18.0 1101.029297 17.0 1101.518677 20.0 1102.44812 25.0 1108.937988 18.0 1129.009521 23.0 1148.01355 22.0 1154.484253 20.0 1155.860718 18.0 1171.033447 17.0 1187.882935 17.0 1194.93335 17.0 END IONS BEGIN IONS SCANS=266 PEPMASS=265.04728 CHARGE=0 COLLISION_ENERGY=0.0 55.03474 22.0 64.972069 33.0 74.02597 218.0 75.731255 17.0 79.957825 466.0 80.966438 21.0 81.944672 19.0 81.956055 18.0 83.661911 19.0 89.022102 26.0 96.305084 18.0 96.959526 41.0 103.040176 22.0 106.98011 40.0 117.299019 19.0 118.0513 549.0 119.034012 43.0 119.050232 37.0 124.006844 11175.297852 124.432343 19.0 124.597313 19.0 124.930191 18.0 125.008926 532.0 125.218452 18.0 125.405647 18.0 126.001762 412.376892 126.167763 22.0 126.931488 20.0 127.007462 18.0 127.045166 17.0 137.07663 18.0 145.895508 18.0 145.990051 18.0 146.752335 18.0 146.899323 50.0 147.992905 18.0 148.895844 18.0 153.075439 20.0 154.912369 24.0 162.89534 17.0 164.002533 86.0 171.927277 17.0 172.999924 39.0 176.604858 22.0 182.452972 18.0 191.054718 20.0 201.942703 39.0 202.938324 18.0 203.014679 46.0 203.580521 22.0 205.008575 22.0 214.326767 18.0 219.86145 18.0 221.022446 150.0 221.932175 18.0 222.001648 20.0 222.124451 17.0 223.023987 42.0 224.241516 18.0 234.641251 19.0 238.309723 18.0 240.86792 17.0 245.118088 18.0 265.046295 378.0 265.148224 76.0 266.034851 38.0 266.148224 18.0 268.926697 28.0 271.835724 20.0 285.260895 20.0 287.52713 21.0 305.046875 18.0 357.777374 18.0 362.08725 18.0 362.160889 17.0 376.318939 18.0 388.1698 19.0 403.639923 18.0 422.194 18.0 423.462769 35.0 440.970551 24.0 447.152069 17.0 447.707764 20.0 462.540985 18.0 464.164948 17.0 505.545563 20.0 568.73877 19.0 579.851074 25.0 768.940918 17.0 END IONS BEGIN IONS SCANS=267 PEPMASS=271.0033 CHARGE=0 COLLISION_ENERGY=0.0 50.104103 22.0 53.312881 17.0 57.629066 18.0 60.234192 20.0 62.718929 18.0 62.772942 24.0 63.085152 28.0 65.614326 18.0 66.867935 17.0 66.969971 22.0 69.744438 24.0 70.944023 28.0 71.142754 18.0 73.297676 18.0 75.101341 22.0 77.232269 20.0 77.870399 18.0 79.957474 790.0 80.039635 28.0 80.963463 106.0 81.953812 67.0 82.982117 18.0 84.936058 18.0 85.372398 27.0 86.813515 21.0 87.148315 17.0 89.265289 18.0 91.31163 20.0 91.662071 21.0 98.637695 28.0 99.864594 37.0 102.74147 20.0 105.964615 18.0 106.978195 67.0 109.670029 43.0 109.898941 18.0 112.983391 18.0 120.170341 18.0 123.319527 18.0 123.981468 18.703512 124.006813 15259.345703 124.342026 18.0 124.601341 18.0 124.702682 19.0 124.7313 21.0 125.007935 501.0 125.355179 19.0 125.501778 29.0 125.87191 18.0 125.919998 23.0 126.003105 951.0 126.907707 18.0 131.599197 18.0 131.867813 23.0 139.674744 18.0 141.126694 20.0 141.999588 17.0 145.135605 20.0 146.477921 21.0 150.859512 17.0 151.078842 18.0 154.327499 20.0 154.657745 23.0 156.544418 20.0 157.421555 20.0 159.892914 18.0 160.888245 17.0 166.847839 18.0 171.052322 18.0 171.175095 21.0 172.466141 18.0 173.089462 18.0 176.421692 18.0 177.299438 30.0 181.465088 20.0 182.922821 18.0 183.977325 44.0 193.51004 31.0 200.151489 18.0 201.382248 20.0 203.69986 18.0 208.66333 18.0 208.729568 18.0 208.907837 18.0 221.183731 24.0 223.927292 24.0 224.863022 18.0 225.790817 21.0 226.097519 19.0 227.634628 20.0 228.071777 27.0 229.004608 20.0 234.008072 18.0 236.193054 20.0 236.844467 22.0 243.07399 17.0 244.021362 18.0 245.49559 19.0 249.020203 18.0 251.772705 27.0 251.888138 24.0 255.422943 21.0 255.53775 20.0 256.050751 20.0 260.355408 18.0 260.449127 22.0 263.258423 25.0 264.646149 18.0 264.84314 23.0 265.177643 26.0 267.683014 18.0 268.812836 18.0 271.004883 904.0 272.001587 70.0 272.106995 22.0 272.886108 18.0 272.99881 126.0 273.887787 38.0 275.167786 26.0 277.285706 22.0 277.359192 18.0 283.860626 43.0 287.944305 21.0 292.405792 17.0 299.869232 18.0 302.20517 18.0 312.573395 20.0 315.258209 43.0 323.448151 20.0 323.925873 18.0 324.638123 27.0 326.306061 22.0 340.899139 29.0 344.298706 22.0 344.815155 20.0 350.170502 25.0 350.509186 19.0 351.978516 18.0 356.520538 22.0 364.247742 18.0 367.999603 18.0 381.908722 20.0 406.409241 18.0 419.321716 18.0 430.025757 19.0 430.90097 17.0 451.441376 24.0 461.979126 18.0 477.288605 22.0 478.786743 25.0 487.40979 20.0 488.614014 20.0 562.017151 29.0 570.968323 20.0 572.225098 18.0 582.189392 28.0 593.926697 18.0 605.54425 18.0 623.186523 19.0 628.38855 18.0 647.151978 20.0 655.492737 20.0 659.175598 18.0 692.640015 19.0 785.540405 22.0 787.01886 20.0 836.218018 18.0 884.278687 18.0 929.557556 20.0 1048.964966 18.0 1087.023682 18.0 1087.347412 21.0 1170.047485 18.0 1183.002563 22.0 END IONS BEGIN IONS SCANS=268 PEPMASS=124.00674 CHARGE=0 COLLISION_ENERGY=0.0 50.772575 18.0 51.705765 17.0 52.592777 19.0 53.328613 32.0 55.885204 17.0 57.349407 18.0 57.452431 22.0 58.327358 36.0 60.139774 17.0 60.553902 20.0 60.571632 26.0 60.648682 17.0 61.879074 18.0 62.034676 20.0 64.601974 23.0 64.622864 18.0 65.117867 24.0 65.231834 23.0 65.314728 23.0 65.366386 20.0 66.434883 20.0 66.735321 18.0 68.036057 17.0 68.148178 23.0 68.406662 22.0 68.502769 18.0 68.667389 23.0 69.678688 20.0 71.438545 18.0 71.737152 18.0 72.161751 25.0 72.636337 20.0 72.768105 18.0 74.347557 20.0 75.850441 17.0 78.208351 19.0 78.955383 38.0 79.258347 21.0 79.956863 5961.709961 80.15889 23.0 80.43866 58.0 80.629852 23.0 80.96405 140.492752 81.743362 30.0 81.891975 36.0 81.953819 253.664627 82.969925 20.0 83.641785 20.0 86.273552 19.0 86.360626 18.0 88.163345 22.0 88.586884 25.0 91.488327 20.0 91.767593 20.0 91.980629 20.0 92.503258 24.0 93.376999 18.0 93.782906 18.0 94.984489 21.0 95.338081 41.0 95.498711 18.0 95.933746 20.0 97.172386 34.0 98.150063 29.0 98.2295 19.0 99.336678 18.0 100.385704 24.0 101.458374 53.0 101.917244 23.0 102.192764 22.0 103.799438 25.0 104.099045 50.0 104.689476 19.0 105.046097 18.0 106.981949 154.0 109.031082 20.0 109.823219 21.0 110.477432 17.0 111.62175 20.0 116.80397 37.0 119.565262 20.0 121.200806 24.0 123.06263 18.0 123.146393 37.0 123.706192 17.0 124.00663 7845.0 124.068474 18.0 124.298218 26.0 124.704391 18.0 124.826385 18.0 124.970924 26.0 125.008636 288.0 126.001945 373.092804 126.253311 18.0 126.848167 31.0 127.042709 18.0 127.078491 26.0 127.419533 20.0 127.795883 21.0 128.05426 20.0 128.641754 18.0 129.105377 46.0 129.863373 61.0 130.652084 18.0 134.244034 25.0 135.147614 18.0 137.372971 19.0 137.622559 18.0 141.686844 20.0 143.307465 17.0 144.834305 25.0 147.020798 18.0 147.559158 22.0 148.297836 18.0 149.031219 35.0 149.359512 29.0 152.061005 20.0 152.970062 20.0 155.536835 20.0 155.745377 72.0 156.131424 18.0 161.046753 36.0 164.320831 20.0 165.038223 22.0 166.095001 54.0 167.372009 18.0 169.635635 17.0 169.733063 26.0 170.535156 17.0 170.753708 20.0 174.400177 24.0 175.70929 17.0 176.859192 19.0 179.223816 20.0 181.493729 18.0 181.508957 18.0 188.455383 18.0 188.536926 22.0 193.778351 18.0 196.084793 18.0 198.04895 25.0 200.766632 20.0 201.957184 24.0 203.852859 17.0 204.111633 18.0 214.575699 21.0 214.975693 22.0 217.433121 19.0 221.122711 23.0 227.659119 20.0 229.503494 17.0 230.775848 18.0 231.217056 18.0 231.981674 20.0 237.182861 23.0 239.565521 18.0 240.694336 25.0 245.774078 40.0 249.017853 65.0 250.017822 19.0 250.883286 24.0 254.261322 21.0 260.150604 20.0 264.547424 32.0 267.794586 24.0 268.484467 18.0 271.010162 48.0 271.88974 22.0 272.91217 18.0 273.000946 18.0 273.070099 67.0 274.420441 27.0 278.484009 23.0 279.667999 22.0 288.915558 18.0 296.152618 18.0 296.243317 20.0 298.234589 18.0 298.332001 20.0 301.298889 18.0 301.338562 18.0 301.874786 18.0 302.762817 18.0 304.344025 42.0 305.538574 20.0 306.914948 21.0 332.883911 19.0 336.12973 18.0 336.266663 22.0 341.036285 28.0 352.460724 18.0 357.152374 42.0 362.597046 18.0 365.43631 18.0 369.319275 18.0 379.966248 17.0 380.479431 18.0 382.11026 20.0 383.770691 32.0 384.035797 18.0 387.960083 23.0 397.522461 18.0 414.423584 18.0 418.207001 17.0 431.395966 18.0 433.023804 19.0 445.343323 19.0 447.500214 17.0 461.657318 22.0 465.658813 20.0 466.116333 27.0 480.682678 28.0 485.231537 17.0 499.047333 19.0 515.133301 18.999998 543.020569 20.0 544.541504 22.0 564.989807 23.0 566.998108 20.0 570.904358 18.0 606.636169 33.0 668.524475 22.0 685.268005 18.0 690.020935 21.0 695.055603 18.0 707.254517 23.0 713.981323 38.0 784.724121 17.0 794.006836 20.0 803.057678 21.0 806.946411 18.0 815.002869 20.0 817.017456 22.0 898.092285 17.0 977.990845 34.0 984.019348 20.0 1000.098755 18.0 1007.961853 22.0 1065.036011 20.0 1073.612061 18.0 1083.416138 18.0 1110.937012 18.0 1117.956421 18.0 1127.565552 24.0 1137.006836 26.0 1144.942993 18.0 1149.101929 18.0 1150.532471 18.0 1162.008423 19.0 1183.031738 41.0 1187.602539 20.0 1189.97229 20.0 1194.537964 26.0 END IONS BEGIN IONS SCANS=269 PEPMASS=466.12331 CHARGE=-1 COLLISION_ENERGY=0.0 50.432392 38.0 51.233154 51.0 52.752728 18.0 53.115025 17.0 56.43264 25.0 57.371403 31.0 59.616344 21.0 60.043232 20.0 64.015968 18.0 64.455498 18.0 66.198914 20.0 66.401367 25.0 67.280472 19.0 69.82885 23.0 70.162422 22.0 71.447746 18.0 72.096794 28.0 74.283997 22.0 74.918633 19.0 76.059166 17.0 76.202805 18.0 76.66687 18.0 78.094482 18.0 79.945045 36.0 79.957642 328.617188 80.570145 17.0 80.655502 19.0 81.04834 19.0 81.399902 17.0 81.865364 18.0 81.951691 20.0 82.081345 17.0 82.232094 18.0 82.687889 20.0 84.925102 22.0 85.777206 34.0 88.937378 18.0 90.249336 39.0 94.059593 18.0 94.527176 20.0 95.204613 17.0 99.004585 20.0 99.64045 18.0 100.050522 18.0 100.527023 26.0 105.259178 18.0 106.979523 37.0 107.986809 33.0 108.983109 18.0 111.27092 17.0 118.047829 38.0 119.09256 18.0 120.763725 27.0 121.313797 17.0 121.644379 19.0 122.185959 18.0 122.215103 22.0 122.261757 23.0 123.188087 18.0 124.006851 28296.765625 124.059006 72.0 124.074722 44.0 124.125633 17.0 124.147301 18.0 124.323792 18.0 124.349167 34.0 124.505074 20.0 124.516235 20.0 124.598701 39.0 124.625168 18.0 124.653473 38.0 124.825325 23.0 124.86396 20.0 124.966942 35.0 125.00988 1127.0 125.035187 18.0 125.102165 18.0 126.003113 1379.07312 126.303009 21.0 126.328995 18.0 127.012009 18.0 127.788033 17.0 129.843872 18.0 129.975937 25.0 130.423248 27.0 130.507019 20.0 131.28331 20.0 131.360489 18.0 131.655441 18.0 132.190384 26.0 132.372391 18.0 132.421692 17.0 135.472275 18.0 140.147537 26.0 142.281067 17.0 143.214066 19.0 143.63855 18.0 144.222687 18.0 144.454285 20.0 146.961472 18.0 147.027496 20.0 153.519928 20.0 157.170319 20.0 157.790237 18.0 157.960327 18.0 159.454926 18.0 161.917496 17.0 163.953018 22.0 168.299667 17.0 171.142151 18.0 172.104813 18.0 173.543701 20.0 178.971893 19.0 180.251205 17.0 181.966202 17.0 183.968338 22.0 184.091599 18.0 186.039566 50.0 187.476532 18.0 191.994659 75.0 193.99968 20.0 194.206436 18.0 195.768585 18.0 199.603989 20.0 204.75061 21.0 208.980698 72.0 210.31987 18.0 210.906799 20.0 213.340469 23.0 213.801743 20.0 217.987961 21.0 220.809204 20.0 224.247391 18.0 229.30864 26.0 239.233566 25.0 243.943542 25.0 249.416611 48.0 254.332275 50.0 254.761658 18.0 254.920425 20.0 260.171539 17.0 265.047821 18.0 266.053162 35.0 267.131989 21.0 268.913177 18.0 270.078278 22.0 271.008148 105.0 275.195435 22.0 278.025421 17.0 279.442566 21.0 283.815338 21.0 291.534119 17.0 291.672699 21.0 292.047424 18.0 295.979645 18.0 300.780853 18.0 302.246185 29.0 309.80246 35.0 310.053497 20.0 310.961273 22.0 312.643188 25.0 323.087738 18.0 325.185699 20.0 327.535919 33.0 328.635498 18.0 332.007355 18.0 338.854431 18.0 354.218567 31.0 363.032013 28.0 370.936005 19.0 377.622406 28.0 400.755737 17.0 413.454956 20.0 423.194122 20.0 429.04422 18.0 430.147491 18.0 431.021698 22.0 441.238098 17.0 460.156097 22.0 466.124847 578.0 467.133514 118.0 468.117676 120.999992 469.109589 18.0 470.14212 20.0 474.402557 18.0 480.979095 22.0 483.040955 19.0 495.040039 18.0 509.654449 18.0 525.179199 18.0 559.686768 30.0 564.996399 36.0 584.152405 20.0 587.238831 33.0 667.994568 21.0 669.03772 18.0 683.225464 18.0 683.68219 17.0 711.975525 18.0 730.494507 20.0 769.971313 18.0 781.063965 17.0 816.896362 21.0 841.995728 18.0 843.476257 18.0 846.229431 19.0 860.968262 18.0 922.606689 20.0 937.061584 19.0 974.113586 17.0 1029.931152 20.0 1071.904053 21.0 1074.999512 18.0 1083.943359 18.0 1096.582031 19.0 1104.913086 23.999998 1110.902832 18.0 1111.949219 20.0 1137.419067 29.000002 1167.036133 18.0 1168.039062 21.0 1170.168457 20.0 1177.569824 25.0 1185.497437 20.000002 END IONS BEGIN IONS SCANS=270 PEPMASS=118.05015 CHARGE=0 COLLISION_ENERGY=0.0 50.45293 19.0 51.797432 35.0 53.65234 23.0 54.310265 39.0 54.950783 18.0 57.68232 22.0 58.026047 20.0 58.999222 18.0 63.73098 28.0 65.458183 19.0 66.241081 20.0 66.480934 18.0 67.896439 20.0 69.109566 22.0 69.356354 20.0 71.409996 51.0 74.022224 74.0 75.264488 22.0 75.97364 18.0 76.97319 17.0 78.847923 18.0 79.199219 18.0 81.643387 18.0 83.775635 18.0 84.605118 18.0 88.039055 527.0 88.069763 18.0 89.044472 23.0 91.064194 18.0 92.154411 22.0 93.452309 21.0 93.770927 18.0 98.289391 20.0 99.188873 18.0 99.926064 41.0 100.745445 18.0 101.021324 18.0 101.829605 18.0 102.27478 23.0 103.713989 18.0 105.526833 34.0 106.122803 20.0 107.509003 18.0 110.937897 18.0 114.43586 18.0 116.340088 17.0 116.926971 114.0 117.019302 18.0 118.050446 2257.0 118.230339 31.0 119.020271 50.0 119.053665 40.0 147.177414 18.0 150.399506 18.0 152.518188 18.0 153.461594 29.0 154.368622 32.0 155.732834 21.0 165.065826 18.0 167.8078 20.0 168.182159 22.0 169.043991 19.0 170.776566 22.0 173.232422 18.0 174.27449 21.0 174.879013 17.0 177.055359 19.0 178.013596 21.0 183.0233 20.0 185.219376 18.0 185.895004 42.0 186.66539 20.0 190.260162 18.0 190.433731 17.0 192.582474 17.0 204.636856 22.0 205.178818 18.0 206.178238 18.0 206.625687 43.0 211.051804 17.0 212.344559 18.0 216.324265 20.0 224.112671 23.0 226.893768 18.0 230.996872 19.0 232.036835 23.0 234.658157 27.0 235.03154 20.0 235.648102 50.0 237.463547 20.0 239.793396 18.0 239.845261 27.0 240.470398 20.0 244.33992 18.0 249.015335 44.0 257.954407 17.0 257.99118 20.0 260.385864 27.0 270.327545 18.0 276.303528 18.0 276.36322 18.0 283.945099 20.0 290.605835 18.0 290.64502 35.0 299.170471 18.0 306.111176 23.0 306.555145 20.0 312.878296 18.0 315.766388 19.0 317.058533 26.0 320.206665 22.0 335.409485 28.0 345.53418 18.0 351.098877 18.0 375.389709 18.0 386.461914 18.0 387.783234 20.0 395.887482 18.0 397.269501 20.0 406.575562 23.0 439.931763 22.0 441.946106 26.0 443.827454 18.0 447.573639 20.0 461.346313 18.0 467.820709 18.0 477.68808 25.0 494.001221 25.0 511.06546 23.0 521.031372 18.0 521.613831 17.0 534.437866 21.0 534.809631 20.0 552.041321 18.0 601.865417 27.0 650.203735 18.0 675.645569 25.0 702.701416 18.0 742.720703 18.0 752.179993 18.0 829.747498 17.0 919.957703 28.0 996.747437 18.0 1037.597412 17.0 1131.377319 20.0 1132.137329 33.0 END IONS BEGIN IONS SCANS=271 PEPMASS=351.06616 CHARGE=0 COLLISION_ENERGY=0.0 60.028095 20.0 60.693508 18.0 61.296883 18.0 61.988693 17.0 62.99054 271.0 63.291504 20.0 63.425041 18.0 64.987137 40.0 65.09153 22.0 66.336372 24.0 66.400833 20.0 67.760193 37.0 68.05056 17.0 68.179848 20.0 68.363014 18.0 68.706932 18.0 69.855537 18.0 72.008041 18.0 73.014679 18.0 73.813095 19.0 75.840446 18.0 77.278282 18.0 78.227509 18.0 84.191086 20.0 84.498657 18.0 86.915359 38.0 94.391823 17.0 96.978622 22.0 98.607353 17.0 98.856628 18.0 98.965851 20.0 100.040733 615.0 100.281914 22.0 101.021027 18.0 101.044754 61.0 102.043419 20.0 102.72506 19.0 104.437393 23.0 105.57193 18.0 105.838531 21.0 106.500244 20.0 109.386528 18.0 109.901726 24.0 110.376419 18.0 110.692177 23.0 112.191574 18.0 113.539177 19.0 113.944801 19.0 114.453697 19.0 114.807358 25.0 115.94101 28.0 117.657928 17.0 119.903519 18.0 120.357635 17.0 122.02607 18.0 127.515358 18.0 129.97438 21.0 138.468887 20.0 139.945358 20.0 141.936691 17.0 142.03125 18.0 143.933685 18.0 145.406342 19.0 145.600891 22.0 149.015457 67.0 149.098877 22.0 154.410187 27.0 155.962708 22.0 157.96579 20.0 159.927582 18.0 162.52449 22.0 164.038956 4843.922363 164.192566 31.0 165.042068 513.0 165.72438 19.0 165.962296 18.0 166.037781 321.573914 167.04303 69.0 168.946487 22.0 175.730606 18.0 176.719055 17.0 177.453323 19.0 179.075821 19.0 179.111465 18.0 186.730621 29.0 186.969299 20.0 192.024857 18.0 192.129898 19.0 196.982605 18.0 199.960602 50.0 201.255081 20.0 202.409317 18.0 206.365265 21.0 207.370178 23.0 224.043198 22.0 225.687927 20.0 226.034302 25.0 230.628418 22.0 232.034195 18.0 242.358658 20.0 245.961227 22.0 248.953537 18.0 249.014755 81.0 255.483856 19.0 260.048096 77.0 260.973602 65.0 261.986664 36.0 265.144592 42.0 267.144592 32.0 268.213409 20.0 272.055206 18.0 277.127655 18.0 278.013092 20.0 279.288483 22.0 287.069519 135.0 289.053741 20.0 297.024048 43.0 298.185852 25.0 300.278076 25.0 301.883118 18.0 304.972351 128.0 305.016418 31.0 305.080261 28.0 306.96051 55.0 307.961426 35.0 308.344421 18.0 319.792725 31.0 325.365936 30.0 329.28299 18.0 335.424988 24.0 338.96106 21.0 344.492737 17.0 345.951355 17.0 349.994781 39.0 350.088898 17.0 350.218933 18.0 350.975403 18.0 351.065247 400.0 351.240814 40.0 352.077423 18.0 353.085754 27.0 353.146362 19.0 354.062042 18.0 357.844727 17.0 367.185394 18.0 376.984131 18.0 386.082092 30.0 387.12793 21.0 388.039307 19.0 390.187195 20.0 392.74176 18.0 449.630859 18.0 452.289062 55.0 453.888611 18.0 458.002777 19.0 472.238281 18.0 476.465637 22.0 484.445343 20.0 487.679718 22.0 507.712189 27.0 548.049438 35.0 592.865784 20.0 624.959961 22.0 663.948547 19.0 772.73999 24.0 815.132263 22.0 897.304993 34.0 991.178833 18.0 1014.956421 17.0 1042.864258 20.0 1066.983643 17.0 1140.222778 18.0 1170.528564 20.0 END IONS BEGIN IONS SCANS=272 PEPMASS=164.0381 CHARGE=-1 COLLISION_ENERGY=0.0 50.105286 23.0 50.337074 43.0 50.480904 26.0 50.675385 22.0 50.809055 18.0 51.093616 18.0 51.099781 19.862827 51.629601 27.0 51.663319 18.0 51.899529 18.0 52.20298 19.0 52.353268 30.0 52.593285 35.0 53.785507 18.0 54.147984 20.0 54.244781 17.0 54.392342 20.0 55.000763 40.0 55.415688 19.0 55.67366 18.0 56.984077 18.0 57.08606 19.0 57.849892 30.0 58.070049 19.0 59.070107 20.0 59.457954 24.0 59.694763 27.0 60.02523 21.0 60.120739 18.0 60.242374 20.0 60.272423 20.0 60.389381 24.0 60.567593 20.0 60.888992 18.0 61.122696 18.0 61.183243 22.0 61.685463 18.0 61.986607 18.0 62.13483 18.0 62.221432 23.0 62.490105 52.0 62.646511 18.0 62.838161 18.0 62.934486 30.0 62.990471 1913.0 63.303539 20.0 63.987621 20.0 63.997471 30.348782 64.245438 25.0 64.399551 18.0 64.535141 18.0 64.985466 57.0 65.991257 18.0 66.068497 20.0 66.868896 20.0 67.323853 23.0 67.456932 19.0 67.747993 18.0 68.011528 27.0 68.277954 18.0 68.461662 20.0 68.737511 17.0 68.819191 30.0 68.946426 18.0 69.181725 21.0 69.360497 23.0 70.032654 28.0 70.559845 18.0 70.870735 26.000002 70.993256 37.0 71.155533 18.0 71.322594 20.0 71.521492 28.0 71.812981 22.0 72.009048 83.0 72.261215 46.0 73.007683 25.0 73.016518 48.601044 73.094772 21.0 74.157219 20.0 74.447243 25.0 74.733215 18.0 74.994209 26.0 76.677452 26.0 76.986092 17.0 77.149307 19.0 77.680725 22.0 77.828362 18.0 78.823967 18.0 79.250977 38.0 79.957512 36.0 79.987068 30.0 80.526199 19.0 81.33004 21.0 81.628136 23.0 81.762001 24.0 82.025261 20.0 83.826164 24.0 83.915482 17.0 84.090561 18.0 84.582802 18.0 84.826569 21.0 85.201881 23.0 85.836479 18.0 85.932823 19.0 87.22995 19.0 87.447746 21.0 87.645378 18.0 87.978462 25.0 90.067947 29.0 90.349701 18.0 91.753395 38.0 92.999039 18.0 93.881157 18.0 94.890129 18.0 95.885651 17.0 96.079613 18.0 96.129532 18.0 97.861328 18.0 98.022995 46.0 98.62442 18.0 98.776085 18.0 98.788811 26.0 99.451439 17.0 99.77066 19.0 100.039879 2204.896973 100.380333 20.0 101.043251 77.0 102.005112 18.0 102.044548 57.0 103.068535 21.0 103.578247 18.0 105.377388 18.0 105.676521 19.0 107.111526 20.0 110.221603 19.0 110.551186 18.0 111.061516 18.0 111.449142 46.0 111.774101 44.0 112.038109 20.0 113.431549 26.0 113.62429 18.0 114.212105 17.0 114.98777 101.0 117.195305 18.0 117.592941 24.0 118.050499 18.0 118.858032 18.0 119.01001 28.0 119.858383 22.0 119.906837 39.0 119.945961 68.0 120.809021 18.0 121.030632 28.0 122.814705 17.0 124.700531 24.0 127.045631 18.0 127.0933 18.0 128.999359 18.0 129.748978 22.0 130.001877 17.0 130.509399 18.0 132.010666 18.0 132.068512 19.0 132.556961 20.0 133.507339 20.0 140.357803 18.0 142.064484 18.0 145.821793 18.0 146.044998 22.0 148.280991 30.0 148.670837 36.0 149.014435 834.0 150.997986 27.442125 151.015289 66.557877 152.012039 21.0 153.047043 23.0 155.236557 26.0 155.879654 20.0 156.603607 17.0 157.70462 18.0 157.993881 19.0 158.094589 18.0 159.629333 18.0 159.807343 20.0 160.410812 17.0 160.731964 19.0 162.841049 22.0 162.896149 18.0 163.074524 17.0 163.416443 22.0 164.037933 3563.999756 164.604736 18.0 164.844727 22.0 164.891937 19.0 165.041245 200.0 165.2276 20.0 165.981247 22.0 166.035812 168.0 166.056061 114.0 166.57518 18.0 167.0345 20.0 167.489471 18.0 168.990082 26.0 169.928726 19.0 170.869583 22.0 171.723328 32.0 172.471909 17.0 175.497894 20.0 175.792953 23.0 175.980881 19.0 177.076859 18.0 177.669739 24.0 178.230499 22.0 178.348358 28.0 180.650284 18.0 181.101578 18.0 181.638657 18.0 182.95401 18.0 183.779984 27.999998 186.852081 21.0 191.802246 22.0 192.454437 28.0 192.736191 18.0 192.803131 20.0 193.845093 24.0 193.879654 17.0 195.374237 21.0 198.180298 18.0 198.679855 22.0 203.390366 20.0 204.768723 47.0 204.975525 21.0 210.928894 19.0 211.566925 20.0 212.508438 22.0 213.850632 30.0 214.721176 19.0 217.432144 17.0 218.237488 26.0 220.532379 25.0 221.997574 208.0 222.236618 18.0 223.000595 18.0 223.995117 43.0 226.915329 20.0 227.03157 18.0 228.866669 28.0 230.763824 23.0 231.330597 23.0 232.027954 44.0 232.814178 22.0 232.926025 20.0 233.186218 19.0 234.8237 49.0 237.320343 20.0 240.741714 19.0 244.569366 35.0 245.721512 19.0 249.020279 39.0 249.790436 18.0 253.488937 22.0 257.782684 18.0 260.405701 18.0 260.471893 17.0 261.895966 23.0 263.494873 18.0 264.481812 26.0 264.969116 27.0 268.233398 17.0 270.36499 43.0 270.809845 18.0 271.013824 30.0 271.725403 20.0 275.076416 23.0 276.022217 25.0 276.062439 20.0 278.832733 24.0 279.606049 17.0 282.795929 20.0 285.012268 17.0 288.90152 23.0 289.152069 17.0 289.454163 18.0 289.983276 33.0 290.902618 19.0 291.91156 19.0 299.153625 20.0 301.613556 18.0 308.344269 24.0 313.312622 17.0 316.929871 38.000004 318.909973 18.0 326.756042 18.0 327.114471 20.0 329.45401 18.0 330.522583 21.0 330.995453 21.0 335.934387 35.0 338.646637 18.0 345.831848 18.0 349.929443 19.0 351.067444 382.0 351.117096 19.0 351.387512 22.0 352.073486 43.0 352.64917 17.0 353.054443 18.0 353.080017 37.0 353.901337 18.0 354.031311 52.0 354.065643 38.0 357.582825 18.0 362.831055 19.0 365.978302 18.0 369.297699 25.999998 371.171204 22.0 371.861847 20.0 377.086548 20.0 382.929779 18.0 405.005096 18.0 409.024902 20.0 411.031708 25.0 413.194885 26.0 413.850616 18.0 417.740509 19.0 417.962921 47.0 418.971649 71.0 419.06424 19.0 420.037292 31.0 420.721008 20.0 422.970581 43.0 432.924622 30.999998 449.420074 18.0 450.368408 18.0 452.789856 19.0 453.266663 19.0 462.450531 19.0 466.980957 17.0 469.937531 25.0 471.285706 18.0 471.935547 20.0 478.996918 20.0 489.997131 17.0 492.985504 20.0 498.211761 25.0 498.694794 19.0 502.045807 18.0 506.963684 26.0 512.081238 23.0 515.217407 21.0 518.19635 17.0 521.071716 18.0 532.051941 18.0 532.661255 24.0 534.974915 25.0 538.09552 55.0 541.042358 18.0 543.333435 18.0 546.00354 20.0 550.936768 19.0 550.9729 19.0 551.971924 17.0 553.117676 18.0 554.917908 18.0 561.996643 20.0 564.880249 20.0 567.128052 44.0 569.922668 18.0 570.04364 20.0 577.140015 17.0 585.006104 17.0 587.7276 19.0 594.145081 24.0 596.05072 18.0 600.053772 24.0 607.075684 21.0 609.929749 22.0 614.036621 20.0 619.167664 21.0 621.97052 22.0 623.073547 19.0 628.931763 18.0 635.094788 18.0 639.514526 17.0 645.891846 30.0 648.466553 20.0 653.049866 20.0 654.008301 41.0 655.440796 21.0 664.057129 18.0 664.280334 24.0 666.867981 21.0 671.936462 18.0 674.97229 19.0 683.128235 21.0 695.108337 20.0 696.210388 17.0 701.988647 22.0 711.084778 24.0 711.966309 54.0 714.923645 21.0 715.960571 22.0 716.066772 20.0 721.226624 20.0 726.123352 18.0 727.138916 20.0 729.030945 18.0 729.490723 23.0 734.11792 17.0 738.270569 20.0 741.099731 17.0 742.090637 20.0 743.933044 20.0 745.157288 23.0 751.129272 17.0 753.016296 18.0 755.176758 29.0 760.999451 18.0 768.268982 18.0 773.033447 17.0 773.924805 25.0 780.491394 17.0 783.073669 18.0 784.079468 18.0 785.090271 65.0 786.296753 18.0 794.046997 18.0 796.022217 18.0 799.938477 18.0 811.166016 17.0 812.235962 36.0 814.167542 26.0 815.03949 21.0 817.982178 26.0 824.878235 18.0 828.010254 19.0 842.762146 20.0 846.050781 20.0 850.978027 18.0 851.060974 17.0 854.009583 17.0 855.963196 18.0 860.1203 18.0 861.02063 23.0 864.025635 18.0 868.073975 20.0 875.127319 24.0 878.133789 18.0 883.25 23.0 886.249084 18.0 887.846802 28.999998 887.958374 18.0 889.010376 18.0 889.964111 27.0 899.016907 20.0 901.004639 35.0 909.026306 21.999998 912.132568 18.0 913.152649 41.0 915.1427 25.0 918.963745 18.0 923.111877 27.0 926.063049 23.0 928.112427 20.0 929.120972 21.0 932.19873 18.0 933.021118 20.0 938.859375 24.0 940.945923 18.0 952.044189 21.0 953.255371 18.0 960.112061 18.0 963.174316 22.0 964.634766 20.0 966.905762 21.0 967.948059 17.0 970.118164 36.0 972.089539 55.0 973.116211 18.0 974.987488 20.0 975.090881 23.0 976.129883 18.0 977.989868 18.0 984.267822 19.0 985.082764 18.0 986.075317 18.0 986.1698 24.0 992.971191 19.0 995.202148 19.0 995.512817 22.0 997.877747 17.0 999.085754 24.0 999.14624 17.0 1001.056335 20.0 1003.024048 31.0 1004.930298 27.0 1013.953308 20.0 1021.038208 18.0 1022.973816 20.0 1025.017944 24.0 1028.82251 18.0 1029.994385 17.0 1031.075806 18.0 1032.67688 26.0 1033.044067 18.0 1036.932129 33.0 1038.162231 24.0 1039.074463 19.0 1040.089478 30.0 1040.979248 22.0 1041.083618 18.0 1041.932495 18.0 1042.505981 18.0 1049.06958 18.0 1050.045898 22.0 1052.044312 19.0 1054.048462 18.0 1055.087891 34.0 1056.07666 57.0 1058.840942 22.0 1058.990356 18.0 1059.958618 20.0 1074.598755 34.0 1077.151367 17.0 1077.970093 27.0 1079.893921 32.0 1088.165161 28.0 1090.009766 18.0 1090.072632 35.0 1099.227295 27.999998 1100.215576 20.0 1102.143188 20.0 1102.517212 20.0 1106.078735 42.0 1106.94043 18.0 1107.244141 20.0 1107.890625 21.0 1108.521484 24.0 1108.955322 18.0 1112.039551 18.0 1113.049927 33.0 1114.109131 18.0 1115.03894 39.0 1117.047241 20.0 1117.156616 23.0 1118.082642 20.0 1119.465332 20.0 1120.053345 18.0 1124.036865 76.0 1127.908569 18.0 1128.828491 17.0 1138.002686 18.0 1140.409424 19.0 1144.95752 22.0 1149.919312 31.0 1151.953369 18.0 1152.032471 25.0 1153.958984 21.0 1154.603271 25.0 1156.949707 22.0 1158.130737 35.0 1163.96936 46.0 1167.125488 18.0 1167.92749 20.0 1168.062012 25.0 1171.012451 57.0 1172.087036 80.0 1173.128174 18.0 1173.612427 20.0 1178.53418 29.0 1180.369995 33.0 1182.049683 20.0 1183.082397 21.0 1184.017578 22.0 1188.961182 17.0 1198.969727 24.0 END IONS BEGIN IONS SCANS=273 PEPMASS=347.07439 CHARGE=-1 COLLISION_ENERGY=0.0 50.210831 27.0 50.254646 18.0 51.32634 24.0 52.186432 22.0 52.929768 21.0 53.452408 18.0 53.757431 22.0 54.313499 18.0 55.239784 27.0 55.434895 18.0 55.527821 20.0 56.558395 19.0 57.032635 18.0 59.013668 265.0 59.213707 33.0 59.910812 31.0 60.018944 27.0 60.247551 20.0 60.292976 17.0 61.479702 25.0 62.101547 18.0 63.11977 24.0 65.846535 19.0 68.571541 22.0 71.014221 605.99646 71.431747 22.0 71.565109 17.0 71.941078 27.0 72.019333 31.0 72.446579 25.000002 72.994049 25.0 73.02829 108.0 73.160568 18.0 73.468781 18.0 74.037315 59.0 75.007912 25.0 77.064873 20.0 81.090691 37.0 81.226883 20.0 81.692902 27.0 81.705688 19.0 82.106514 21.0 82.243988 17.0 83.008217 41.0 83.385872 18.0 83.473152 20.0 84.025856 46.0 85.031853 112.0 86.438454 18.0 88.043037 20.0 89.023628 1185.0 89.474335 20.0 90.026917 18.0 91.415604 19.0 92.964119 22.0 93.869827 51.0 94.917595 18.0 95.010223 22.0 95.153313 30.0 95.393143 19.0 95.992325 20.0 96.427536 25.0 96.958755 32.0 97.97879 24.0 98.493103 25.0 99.006996 62.0 99.924316 18.0 100.040466 18.0 100.913734 19.0 101.024246 691.0 101.737709 18.0 102.026276 18.0 103.005402 20.0 103.146965 27.0 105.018318 36.0 105.550041 24.0 105.870102 28.0 108.407249 25.0 111.007355 47.0 113.023232 353.0 114.017593 109.0 114.050789 20.0 114.829872 29.0 114.998878 21.0 115.416443 27.0 115.813004 28.0 118.052917 20.0 118.66114 26.0 119.036522 198.0 119.901138 18.0 120.994667 18.0 124.906075 18.0 125.021553 36.0 125.411903 25.0 126.090233 30.0 126.247177 18.0 126.860321 18.0 126.903923 20.0 128.032745 18.0 128.317505 27.0 128.539154 22.0 129.038391 22.0 129.057632 35.0 131.034653 724.60144 131.692429 18.0 131.875473 17.0 132.016342 21.0 132.03421 163.0 133.20961 23.0 135.044037 29.0 135.096863 24.0 136.580566 18.0 136.782364 18.0 136.985138 20.0 140.0168 33.0 141.009384 18.0 141.024017 37.0 141.064133 20.0 141.744156 21.0 141.934769 18.0 142.044983 37.0 142.085678 18.0 142.176163 17.0 142.354446 18.0 143.035767 49.0 144.880859 43.0 144.959885 26.0 144.998077 22.0 145.019135 17.0 145.048096 41.0 145.998795 20.0 146.963028 17.0 147.040894 18.0 147.360443 26.0 149.021118 18.0 149.045319 2701.627197 150.048782 87.0 150.181641 30.0 150.96553 18.0 150.97847 20.0 151.011673 19.0 151.043549 72.0 151.0634 51.0 152.047592 18.0 152.068268 17.0 152.352676 18.0 152.884109 18.0 154.064545 25.0 154.692307 23.0 154.909622 20.0 155.034515 21.0 155.04776 21.0 155.407288 37.0 155.98732 24.0 158.035355 39.724651 158.048874 18.0 158.875366 19.0 159.083786 18.0 160.041061 28.0 161.041718 132.0 161.89119 18.0 162.91684 43.0 163.050201 36.0 164.057388 19.0 165.044693 25.0 167.123322 17.0 168.030914 58.000004 168.755966 22.0 169.016556 24.0 169.062714 63.358665 171.023254 17.0 171.502258 18.0 172.077225 35.0 173.05014 17.0 173.226074 22.0 174.040878 40.0 174.726028 35.0 174.858673 118.0 175.025238 30.0 175.061569 24.0 176.02388 20.0 176.86145 87.0 176.910904 20.0 177.049118 20.0 178.469681 19.0 178.877167 22.0 178.90155 18.0 179.052719 197.0 180.059296 18.0 181.024384 18.0 181.072235 63.0 182.039627 18.0 182.057495 19.0 182.785797 24.0 183.02861 18.0 183.325134 20.0 185.058487 85.0 186.039276 17.0 186.126053 17.0 186.664124 23.0 187.021225 18.0 191.054108 406.917633 191.100708 22.0 192.052094 38.0 193.028687 19.0 194.679657 20.0 194.894394 18.0 194.908936 26.0 194.952377 40.0 195.040054 20.0 195.09967 18.0 195.941681 18.0 197.048508 24.0 199.034164 22.0 199.068832 24.0 199.14772 25.0 202.046677 41.0 202.182266 22.0 203.019333 26.0 205.528015 20.0 206.036026 19.0 208.076096 40.0 209.134216 24.0 209.419556 25.0 211.059982 25.0 211.893433 25.0 213.048706 37.0 214.07579 30.0 215.019577 17.0 216.056671 18.0 217.050308 22.0 218.065796 17.0 219.051697 22.0 219.070251 17.0 220.664642 25.0 221.067978 200.0 222.079453 18.0 223.039444 22.0 223.110153 23.0 224.924591 28.0 226.91983 29.0 227.024719 17.0 227.094147 20.0 227.118393 20.0 228.922409 31.0 229.046722 22.0 230.061478 18.0 231.049606 41.0 232.973618 18.0 233.021271 21.0 233.095474 19.0 234.040619 18.0 234.856689 28.0 239.072876 19.0 241.076233 24.0 241.124268 37.0 244.097137 29.0 245.085388 34.0 246.588623 21.0 249.114212 18.0 250.053162 18.0 250.980911 49.0 251.073364 138.0 254.414703 20.0 254.860565 20.0 255.06308 17.0 255.136047 17.0 256.091278 18.0 256.885254 20.0 257.893921 20.0 258.970734 23.0 260.921265 49.0 261.08606 22.0 261.806519 22.0 266.119781 20.0 266.159058 20.0 269.045288 18.0 274.882263 27.0 274.995056 18.0 275.045746 68.0 275.073883 44.0 276.838013 20.0 281.090912 124.0 282.095551 43.0 285.077759 18.0 288.086334 44.0 290.983551 20.0 292.634583 18.0 292.892609 19.0 293.056396 19.0 293.092438 114.0 293.848145 18.0 294.061584 30.0 296.868866 22.0 300.833466 17.0 301.917786 20.0 302.042023 18.0 302.965149 20.0 303.104218 19.0 305.162506 18.0 305.386169 46.0 310.959778 30.0 311.097382 375.0 312.105011 26.0 313.118317 482.167633 313.954956 29.0 314.112366 55.0 314.94635 19.0 321.071594 18.0 329.082214 18.0 335.021088 20.0 346.058014 24.0 346.164276 18.0 347.07431 5662.0 347.153076 75.0 347.364105 20.0 347.987213 18.0 348.079712 577.275574 349.015961 20.0 349.073151 2063.710449 349.180481 24.0 349.456726 17.0 350.077454 184.975861 350.103027 94.024139 351.077576 17.0 353.311005 20.0 354.877075 18.0 359.825287 17.0 361.075165 26.0 363.903717 17.0 365.87027 20.0 367.128754 19.0 371.096893 23.0 375.103088 17.0 377.075378 39.0 379.082397 36.0 380.083191 21.0 392.76123 34.0 453.525085 24.0 457.192932 26.0 485.423737 18.0 495.178741 19.0 501.137787 18.0 519.287415 19.0 551.16803 19.0 558.157959 31.0 573.209473 20.0 578.565979 20.0 585.76001 20.0 587.143921 21.0 609.145508 18.0 662.523254 18.0 711.147339 18.0 717.66333 17.0 752.311768 22.0 755.260864 28.0 759.760559 21.0 802.123352 20.0 820.866394 18.0 826.335083 18.0 828.503479 19.0 836.227417 20.0 838.143921 18.0 847.832397 18.0 852.698181 23.0 870.0755 19.0 901.108643 22.0 919.03656 18.0 922.540161 20.0 984.051025 18.0 993.452637 20.0 998.540894 23.0 999.325073 20.0 1031.67041 20.0 1038.429932 24.0 1048.005005 21.0 1052.67688 28.0 1064.00647 31.000002 1070.46106 22.0 1079.433716 22.0 1102.171265 36.0 1105.8302 20.0 1111.335449 20.0 1120.560181 18.0 1126.435059 18.0 1143.625732 18.0 1168.096436 18.0 1198.004517 18.0 END IONS BEGIN IONS SCANS=274 PEPMASS=223.04523 CHARGE=0 COLLISION_ENERGY=0.0 55.016666 18.0 57.03484 124.0 59.012878 218.0 59.737717 18.0 64.258865 19.0 69.000031 17.0 69.035294 30.0 69.95372 30.0 70.308487 18.0 71.015266 260.309235 72.993309 40.0 75.007751 547.0 75.195267 19.0 76.00766 31.0 76.179413 21.0 78.956551 17.0 79.030785 18.0 82.030426 41.0 83.00798 18.0 85.029152 725.0 86.035454 20.0 86.909157 18.0 87.007439 277.0 87.917313 460.0 88.523972 28.0 88.922485 212.111786 89.024902 136.0 89.917206 310.0 90.924431 126.0 91.921036 44.0 96.956367 20.0 97.028656 37.0 98.030869 21.0 99.009224 554.0 99.037102 19.0 101.023582 105.0 102.025093 36.0 102.905136 63.0 103.913597 144.0 104.913963 57.0 105.909241 109.0 106.29155 17.0 106.91291 20.0 108.237572 18.0 111.006813 17.0 113.023125 18.0 115.035339 42.0 117.022491 24.0 118.725014 17.0 119.4879 18.0 119.907654 290.0 121.902885 106.0 127.181145 18.0 129.018921 795.0 130.02124 38.0 130.34021 24.0 130.898849 88.0 131.019028 37.0 131.907013 1152.455933 131.991699 17.0 132.913239 943.640137 133.906647 705.0 134.525879 18.0 134.859344 20.0 134.913239 451.0 135.911942 103.997169 137.074844 19.0 137.869934 18.0 138.094193 27.0 139.000137 21.583717 139.014847 49.416283 141.020523 122.0 146.898224 17.0 147.901306 888.0 148.90036 191.0 149.896332 240.0 151.065353 25.0 159.028 174.0 164.037704 46.0 166.047852 20.0 166.866821 101.0 166.981247 32.0 167.013275 19.0 167.872025 26.0 167.983856 18.0 168.022614 18.0 168.865112 91.0 169.858322 18.0 175.898529 18.0 176.025772 37.0 176.905212 419.663513 176.938354 17.0 177.040115 1330.153564 177.570114 20.0 177.911392 318.748901 178.042404 126.0 178.832642 18.0 178.902008 451.522858 179.042847 39.0 179.909958 94.0 180.90448 20.0 181.016602 20.0 182.046112 20.0 184.88324 31.0 186.108139 18.0 187.024338 55.0 187.104309 18.0 195.05159 228.0 196.060501 64.0 199.43956 20.0 202.771729 18.0 203.831848 197.0 203.869736 22.0 205.824844 20.0 206.975983 62.0 207.042801 18.0 208.951813 25.0 222.745239 20.0 223.042603 476.0 223.83905 20.0 224.046646 35.0 233.76619 24.0 244.560532 24.0 260.878784 26.0 313.59375 18.0 316.457031 18.0 359.083344 20.0 460.295532 18.0 562.072205 17.0 657.265137 18.0 716.408081 18.0 END IONS BEGIN IONS SCANS=275 PEPMASS=147.02955 CHARGE=0 COLLISION_ENERGY=0.0 55.018997 43.0 57.033649 71.0 59.013474 127.0 71.00927 17.0 73.031975 17.0 73.736443 22.0 75.007492 40.0 76.970047 22.0 77.04187 24.0 80.024704 19.0 81.034454 45.0 82.028343 18.0 83.011612 37.0 84.0196 21.0 84.647629 20.0 85.028511 959.0 86.024414 20.0 92.047516 21.0 92.928551 18.0 93.034225 20.0 95.046669 19.0 101.023445 297.0 101.94281 19.0 102.026276 18.0 102.93029 22.0 103.007408 22.0 103.039955 263.0 103.911751 20.0 105.55999 25.0 107.038185 18.0 108.021454 43.0 115.202011 38.0 118.050529 18.0 121.019623 22.0 121.053047 18.0 122.063255 25.0 123.047569 42.0 127.062553 18.0 128.029892 22.0 129.018738 1135.840576 130.020844 122.647812 131.038986 59.0 132.042389 18.0 134.033936 52.0 134.108414 19.0 146.018158 33.0 146.898956 17.0 147.03067 272.0 148.04216 121.0 149.004929 22.0 149.045288 98.0 150.05191 110.049454 162.255386 18.0 166.873596 27.0 247.349884 23.0 305.082184 23.0 418.64328 20.0 508.251526 17.0 787.872559 18.0 END IONS BEGIN IONS SCANS=276 PEPMASS=196.06061 CHARGE=-1 COLLISION_ENERGY=0.0 53.982536 18.0 57.601761 21.0 59.012005 21.0 59.965439 31.0 62.433655 33.0 65.262764 43.0 66.031761 20.0 67.885307 24.0 67.97818 34.0 69.373779 18.0 71.012665 19.0 72.008537 533.0 72.989174 19.0 73.007729 20.0 74.024094 701.0 74.589279 23.0 75.007431 89.0 75.969376 18.0 76.18399 41.0 77.719933 17.0 78.300186 22.0 79.058662 24.0 79.919304 18.0 80.169891 18.0 80.664566 27.0 82.065765 38.0 84.25618 18.0 85.680016 18.0 89.017593 18.0 89.040253 103.999992 89.265335 18.0 91.055107 123.0 92.221405 18.0 93.03241 69.0 93.290443 17.0 94.027054 18.0 95.050308 29.0 96.9645 52.0 99.013275 25.0 99.922829 23.0 103.138077 18.0 103.435768 28.0 105.416229 18.0 106.039841 18.0 107.051445 689.0 108.02047 60.0 108.040359 18.0 108.053543 27.0 109.027977 1663.588135 109.062836 20.0 110.033577 184.0 111.03598 38.0 113.018768 29.0 113.068535 22.0 116.311806 18.0 116.526367 20.0 116.925972 27.0 117.031891 54.0 117.33548 22.0 117.388023 18.0 118.038216 18.0 118.447029 28.0 118.885902 18.0 118.90152 19.0 119.909073 18.0 120.906837 17.0 121.030197 423.965515 121.907639 51.0 122.03669 3169.304443 122.084763 49.0 122.909439 18.0 123.044945 1099.0 124.050148 67.0 125.056618 45.0 127.041344 19.0 129.017761 18.0 130.824341 22.0 133.441788 25.0 133.583038 17.0 134.036835 877.0 134.061493 416.279541 134.195541 30.0 135.044342 8501.202148 135.067139 46.5369 135.397461 18.0 135.697083 20.0 135.893707 37.0 135.923233 18.0 136.047836 669.0 137.026794 18.0 137.049042 37.0 139.051575 22.0 146.082321 18.0 149.14064 18.0 150.050522 18.0 151.034836 18.0 152.069977 572.0 152.401382 35.0 153.065247 50.188076 153.085068 80.851265 153.940491 30.0 154.9944 19.0 157.923721 17.0 158.379501 21.0 158.847321 95.0 159.032562 52.0 159.699173 19.0 159.755814 20.0 159.890167 127.0 160.003052 20.0 160.84108 14222.322266 160.899994 48.0 161.010956 18.0 161.338562 18.0 161.480545 20.0 161.592163 18.0 161.607864 19.0 161.843765 281.0 162.156876 18.0 162.719116 19.0 162.747437 19.0 162.838562 12378.567383 163.262451 37.0 163.336777 18.0 163.463852 40.0 163.494553 43.0 163.837799 259.0 164.038467 78.0 164.836716 1794.77771 164.927567 21.0 165.907562 20.0 166.265411 18.0 166.868484 33.0 166.97908 32.0 167.20018 21.0 168.040192 18.0 169.241257 23.0 170.387405 18.0 174.533737 18.0 174.729736 25.0 176.893661 244.0 177.012787 23.0 177.893921 124.0 178.05513 34.0 178.288437 20.0 178.894882 90.0 179.034195 2020.919556 180.039825 152.0 180.861923 20.0 180.941025 23.0 182.858582 18.0 183.200256 20.0 194.666763 20.0 194.904556 83.0 195.048523 244.0 195.778137 18.0 195.809784 2096.0 195.911087 18.0 196.06012 3143.327393 196.811264 71.0 197.062637 308.032684 197.806671 3246.0 198.012238 18.0 198.064102 21.0 198.324066 18.0 199.228073 20.0 199.805099 804.95636 200.247238 18.0 201.040314 18.0 201.901398 25.0 205.92894 20.0 214.710999 19.0 226.665817 18.0 231.384979 23.0 232.038498 17.0 239.078506 17.0 247.46257 17.0 247.989044 17.0 251.603195 20.0 252.662018 22.0 253.913025 19.0 261.618011 20.0 280.14978 18.0 298.498108 18.0 299.071289 19.0 300.254944 27.0 309.222473 22.0 314.735046 51.0 327.872711 26.0 337.676239 22.0 337.719574 18.0 347.069305 26.0 351.084625 21.0 377.082886 26.0 378.097412 18.0 408.877106 18.0 431.186432 21.0 472.475372 17.0 538.870239 30.0 566.266052 19.0 991.603882 26.0 1091.750244 20.0 1123.532837 22.0 1152.560181 24.0 1153.72168 21.0 1156.398438 22.0 END IONS BEGIN IONS SCANS=277 PEPMASS=203.1032 CHARGE=0 COLLISION_ENERGY=0.0 58.005848 43.0 58.027237 53.0 59.010582 51.0 64.98748 18.0 70.0336 44.0 72.044945 164.0 73.026314 18.0 78.953705 30.442841 78.962296 18.557159 79.011993 18.0 81.026764 18.0 82.028801 18.0 82.068962 64.0 84.044304 20.0 85.030655 42.0 85.945824 39.0 86.006042 28.0 86.060539 18.0 87.008652 60.0 89.024948 17.0 92.052406 19.0 92.478981 20.0 93.905006 25.0 96.044731 36.0 97.03038 18.0 97.07576 43.0 98.058083 87.0 99.006401 23.0 99.045357 81.0 99.095512 22.0 100.040672 145.0 101.024185 42.0 101.939743 20.0 102.056839 94.0 103.042854 17.0 111.042747 18.0 112.03923 22.0 113.022346 39.0 113.941696 200.0 114.021835 20.0 114.094994 28.0 115.038338 24.0 115.085739 38.0 116.051392 67.0 116.06958 35.0 116.090622 22.0 117.019302 18.0 117.049133 20.0 119.909798 17.0 123.878372 76.0 124.07563 110.0 125.02269 149.0 125.060387 23.633894 125.076935 67.366104 125.874252 666.648376 126.054924 192.0 126.075844 18.0 126.396164 20.0 126.886665 18.0 127.938377 17.0 128.056107 18.0 128.069443 38.0 129.099854 21.0 129.934402 237.0 130.05452 46.0 130.93512 23.0 132.032349 23.0 139.087326 541.817322 140.074753 18.0 140.091766 73.0 141.022705 19.0 141.067596 22.0 141.103119 605.811401 142.014374 40.0 142.106674 49.0 143.01326 21.0 143.032959 33.0 143.080994 117.0 144.031082 18.0 145.013794 56.0 145.067383 20.0 147.022125 18.0 155.948303 18.0 157.095688 39.0 157.842224 19.0 157.930084 60.0 158.001938 27.0 158.031082 20.0 158.079575 35.0 159.064362 18.0 159.109863 84.0 159.950989 22.0 160.04068 362.0 160.11676 26.0 160.839157 107.0 161.039886 43.0 161.094254 491.0 161.851166 36.0 162.083939 22.0 162.096588 29.0 164.041779 24.0 164.836502 459.0 165.832855 36.0 166.834869 297.0 167.086212 17.0 168.06015 18.0 168.97963 20.0 169.014679 50.0 172.004349 17.0 173.089035 36.0 179.05394 18.0 185.092117 360.0 186.095764 115.0 187.020889 20.0 187.070221 22.0 188.988876 17.0 201.0914 20.0 201.804016 126.965912 202.113007 44.0 202.785187 46.0 202.80545 18.0 203.036926 24.0 203.103287 1514.530884 203.800476 21.0 204.035568 20.0 204.089233 204.763489 204.108643 79.236511 205.006012 18.0 205.030487 63.0 205.072845 38.0 205.837128 17.0 206.049377 53.0 206.97023 24.0 207.010254 27.0 207.132065 23.0 218.317245 18.0 222.810562 18.0 288.945007 31.0 308.285553 19.0 337.86615 25.0 355.391083 19.0 380.562012 31.999998 437.919037 18.0 544.513611 18.0 720.672302 17.0 END IONS BEGIN IONS SCANS=278 PEPMASS=573.15869 CHARGE=-1 COLLISION_ENERGY=0.0 50.37598 26.0 52.178944 20.0 53.03828 51.0 54.982784 20.0 55.436954 18.0 56.247871 22.0 59.013588 101.0 61.681339 17.0 65.633118 37.0 67.133461 19.0 68.159515 18.0 68.166756 17.0 71.010757 161.0 72.018814 21.0 72.784103 51.0 72.845772 17.0 72.970428 20.0 75.485405 18.0 77.171448 32.0 78.129456 21.0 81.652725 20.0 82.044456 22.0 87.836754 44.0 88.365944 19.0 89.02375 568.0 90.027733 18.0 90.057915 24.0 90.457542 34.0 91.631836 30.0 92.928459 62.0 93.287003 18.0 94.925804 36.0 96.915108 97.0 97.613747 17.0 100.21006 30.0 101.02356 306.0 103.337242 72.0 105.122635 24.0 107.028748 20.0 113.025299 190.0 113.714554 18.0 114.090645 20.0 115.848885 20.0 118.73156 18.0 119.034576 529.0 120.010483 22.0 120.032707 28.0 121.066444 40.0 122.062798 28.0 125.731674 38.0 126.02301 17.0 126.899887 33.0 129.651398 18.0 131.033234 135.095428 131.116501 21.0 133.067825 80.0 133.726974 20.0 134.045654 20.0 134.059769 18.0 135.047638 24.0 138.792419 20.0 139.249863 21.0 143.033981 196.0 144.87735 18.0 145.057526 23.0 148.60495 25.0 149.048523 71.0 149.324051 20.0 151.286789 24.0 151.634766 17.0 152.876953 17.0 159.071777 18.0 161.045425 401.0 161.292831 18.0 162.047363 19.0 165.043243 20.0 167.023148 17.0 168.475708 22.0 170.356827 17.0 172.830658 18.0 173.092575 27.0 174.172928 17.0 177.055771 788.0 177.214508 18.0 178.057693 149.0 179.055435 2011.624146 179.431488 25.0 179.917343 20.0 180.059464 73.0 181.058456 97.0 184.991119 20.0 191.003983 18.0 192.986404 18.0 201.162888 17.0 207.04248 21.0 207.071594 21.0 210.843781 28.0 211.005173 39.0 215.242386 28.0 219.024857 18.0 221.915405 18.0 223.069443 19.0 233.629105 49.0 242.196152 35.0 256.583923 20.0 256.981171 22.0 263.523682 18.0 266.803162 94.0 268.799438 47.0 284.769257 17.0 286.108368 22.0 287.94754 18.0 289.284363 28.000002 292.669922 25.0 301.00061 28.0 305.985352 41.0 306.067535 18.0 306.792145 38.0 311.183014 18.0 312.528534 22.0 313.002136 21.0 314.78894 18.0 316.148743 22.0 320.246094 18.0 320.818512 18.0 320.848236 22.0 324.765564 49.0 326.759644 19.0 328.748749 18.0 346.070435 20.0 351.466675 24.0 353.101471 27.0 357.118958 1061.0 358.124115 177.0 377.082886 88.0 380.085602 18.0 385.103516 30.0 386.711578 18.0 388.071533 18.0 391.855591 21.0 397.109558 18.0 402.686798 18.0 417.137054 41.0 419.634186 21.0 419.861603 18.0 420.999878 19.0 424.067139 17.0 426.9328 25.0 427.331726 34.0 428.213013 18.0 433.071503 28.0 442.688354 17.0 446.659485 25.0 447.154602 57.0 459.150299 23.0 471.162415 18.0 471.888824 18.0 477.162689 257.0 490.276672 18.000002 504.623901 17.0 519.169312 19.0 521.757874 18.0 524.064514 18.0 532.069214 18.0 536.191162 37.0 536.263916 17.0 537.179932 121.0 538.140198 17.0 538.17804 23.0 549.438293 18.0 556.283142 23.0 557.256226 18.0 558.223999 18.0 558.284729 28.0 565.641235 22.0 566.648987 19.0 570.120178 20.0 570.271057 18.0 572.106201 33.0 572.233093 18.0 573.158081 7828.009766 573.240234 17.0 573.295593 35.0 573.996277 18.0 574.163513 1708.987915 575.158264 3281.0 575.264221 17.0 575.315063 17.0 576.161804 620.337402 576.308105 18.0 577.166077 18.0 577.914978 18.0 583.12616 20.0 585.202393 20.0 629.111023 18.0 676.505798 18.0 725.593262 22.0 748.443665 21.0 763.267761 27.0 784.531006 19.0 785.354431 23.0 804.369934 18.0 923.253967 23.0 929.292603 24.0 935.437073 25.0 942.886658 26.0 986.677734 26.0 992.182129 43.0 1007.464478 22.0 1008.108704 21.0 1033.161377 23.0 1041.609741 25.0 1051.33667 27.0 1062.116211 17.0 1087.491577 33.0 1115.03186 31.000002 1134.050415 17.0 1142.36438 33.0 1150.585815 20.0 1173.229858 18.0 1181.925293 20.0 1185.66333 26.0 1189.766235 23.000002 1192.326172 19.0 1193.577881 41.0 1198.91748 25.0 END IONS BEGIN IONS SCANS=279 PEPMASS=153.8683 CHARGE=-1 COLLISION_ENERGY=0.0 54.569313 17.0 55.110928 21.0 60.196281 20.0 62.25423 28.0 68.125229 18.0 78.958084 36.0 79.144798 29.999998 80.742889 58.0 80.964684 57.0 83.928932 26.0 92.927475 23.0 94.918434 18.0 96.957092 38.0 98.020927 37.0 100.131966 20.0 109.024025 24.0 118.899162 178.0 119.900406 24.0 120.897217 99.0 130.860016 23.0 133.729034 24.0 138.9496 20.0 140.844131 29.0 141.783615 20.0 143.926132 20.0 152.064774 19.0 152.666031 22.0 152.981659 54.0 153.024887 37.0 153.066742 26.0 153.868866 1517.0 154.872696 68.0 155.287994 18.0 155.865173 1249.472656 156.863571 62.0 157.861908 25.0 159.864914 20.0 175.861069 20.0 191.041458 23.0 192.337326 30.0 204.607422 17.0 211.600464 21.0 244.25592 20.0 263.720764 28.0 265.358063 17.0 312.463928 18.0 322.119537 18.0 339.710052 26.0 358.357513 18.0 360.182556 20.0 365.899811 37.0 382.339539 21.0 430.134033 18.0 458.234619 37.0 473.723358 35.0 504.076508 29.0 519.798523 18.0 559.714478 26.0 564.495361 18.0 608.179565 19.0 798.557007 20.0 859.924561 20.0 END IONS BEGIN IONS SCANS=280 PEPMASS=160.84161 CHARGE=-1 COLLISION_ENERGY=0.0 51.720852 24.0 54.777206 19.0 56.048656 23.0 59.10463 28.0 62.990257 1367.0 63.963909 62.0 65.30088 18.0 69.034805 18.0 70.995956 35.0 71.015221 25.0 72.009346 25.000002 73.013771 35.0 73.69046 26.0 74.989807 18.0 75.77343 19.0 77.004745 26.0 84.472298 32.0 85.027313 20.0 98.023155 38.0 98.566254 18.0 99.00914 20.0 99.026962 21.0 99.925873 17.0 100.03978 1508.80127 101.049545 20.0 101.308525 20.0 101.97213 18.0 105.161804 19.0 106.192093 18.0 108.990967 32.0 114.816154 18.0 114.987755 18.0 117.000023 18.0 119.90612 17.0 122.892326 23.0 125.878479 26.0 127.86869 41.0 129.935654 18.0 131.582245 20.0 131.875504 21.0 132.551056 24.0 140.241013 18.0 143.031387 20.0 144.340164 18.0 146.030029 17.0 149.015625 571.0 156.303452 23.0 158.552017 22.0 159.844727 75.0 159.892899 27.0 160.842346 2765.632324 161.843033 118.511711 161.912979 23.0 162.838684 3316.748291 163.062958 100.0 163.84613 67.0 164.03894 1602.0 164.836548 130.0 165.35144 18.0 195.712509 17.0 224.410202 18.0 236.700043 33.0 239.002197 17.0 239.148621 53.0 245.217407 18.0 353.059052 17.0 372.024139 22.0 378.080994 21.0 489.14212 18.0 571.964172 18.0 670.164551 18.0 END IONS BEGIN IONS SCANS=281 PEPMASS=162.8388 CHARGE=-1 COLLISION_ENERGY=0.0 54.726421 20.0 55.008011 25.0 61.209866 19.0 62.990086 387.0 63.040844 22.0 63.144169 18.0 63.989468 19.0 64.390984 18.0 65.174217 26.0 66.637581 18.0 66.951248 28.0 67.03196 21.0 67.762489 18.0 70.992569 20.0 72.283226 26.0 72.643196 20.0 72.990601 18.0 73.010841 24.0 73.274902 18.0 74.955292 19.0 75.009819 34.0 77.037796 18.0 77.866646 18.0 79.499001 23.0 79.956528 54.0 80.740677 20.0 80.879555 27.0 86.64621 24.0 89.558311 31.0 89.928864 20.0 91.017166 22.0 91.620422 21.0 91.82872 18.0 93.566696 18.0 96.055473 18.0 98.022491 18.0 98.358437 19.0 99.0065 20.0 99.942764 18.0 100.040451 441.0 100.699898 22.0 101.043823 48.0 103.922493 26.0 105.020905 18.0 106.054871 20.0 106.280861 17.0 114.990837 41.0 115.925247 20.0 116.771042 20.0 117.055161 24.0 118.98262 20.0 119.907623 101.0 121.030624 17.0 121.065247 29.0 121.862061 18.0 121.87619 17.0 122.418106 46.0 122.885277 17.0 124.853889 20.0 127.867271 22.0 127.958031 21.0 129.09227 22.0 129.867096 106.0 135.754028 20.0 139.462601 18.0 140.532333 20.0 144.419907 26.0 147.888657 18.0 149.019409 107.891525 153.855621 18.0 155.802444 30.0 156.570801 28.0 157.092834 31.0 161.782654 24.0 161.844559 81.0 161.942078 20.0 162.839203 2586.402832 162.928528 22.0 163.002533 17.0 163.738647 18.0 163.842087 58.0 164.038956 854.581604 164.836914 1112.0 165.038254 38.0 165.844254 18.0 165.894028 18.0 166.03157 18.0 166.061417 18.0 166.15889 19.0 166.833832 93.0 167.111496 18.0 167.19751 18.0 167.660385 17.0 178.354721 24.0 178.412064 27.0 179.344376 27.0 183.421768 38.0 191.732925 25.0 207.295135 20.0 214.252274 22.0 256.390381 18.0 279.200226 27.0 290.350525 17.0 291.42334 18.0 351.075531 18.0 367.702393 22.0 372.887634 25.0 374.400391 22.0 378.098938 18.0 398.811859 19.0 404.102173 22.0 472.013519 28.999998 569.120605 24.0 730.138367 21.0 747.269409 18.0 913.307007 18.0 945.802551 18.0 1017.939331 30.0 1022.927856 20.0 1059.390503 26.0 1160.493774 18.0 1193.139893 25.0 END IONS BEGIN IONS SCANS=282 PEPMASS=567.13286 CHARGE=-1 COLLISION_ENERGY=0.0 55.018333 38.0 58.042561 24.0 59.01413 271.0 71.013092 243.0 72.124855 18.0 73.02684 24.0 75.009972 27.0 85.025681 17.0 87.008629 139.0 89.024155 679.0 89.336273 18.0 90.026329 18.0 90.885406 17.0 92.929214 36.0 93.135612 31.0 94.922997 17.0 97.030685 164.0 101.024277 430.0 102.022247 18.0 102.981125 20.0 103.041763 22.0 107.037369 24.0 107.114998 29.0 113.024155 382.0 114.025909 41.0 115.037857 54.0 117.017639 21.0 119.035843 468.0 122.946617 23.0 125.022079 61.0 128.036972 18.0 128.136642 18.0 131.033356 118.0 132.041168 21.0 133.530273 35.0 135.030243 67.0 137.039459 17.0 140.6987 34.0 143.036362 318.0 143.936478 17.0 144.037994 62.0 146.96788 19.0 147.18457 18.0 149.012802 18.0 149.042969 101.0 149.636429 18.0 150.042709 18.0 151.031815 28.0 158.988113 19.0 159.025223 20.0 161.004715 29.0 161.045334 1526.653076 162.045197 90.0 162.603546 22.0 164.038544 17.0 165.054916 17.0 176.389435 18.0 179.055618 1996.544556 179.097672 18.0 180.030701 18.0 180.058701 87.078232 185.049591 22.0 189.039337 153.0 195.009689 17.0 207.05188 617.0 208.045761 74.0 220.712601 20.0 221.067795 675.0 222.072037 57.0 223.066055 18.0 223.99617 69.0 234.861862 18.0 236.189209 18.0 245.070709 24.0 247.679382 26.0 249.062531 130.0 250.053696 18.0 251.074432 64.0 262.879974 18.0 263.074127 76.0 263.640259 22.0 264.079987 33.0 266.63382 18.0 266.801575 18.0 270.787567 19.0 272.785187 28.0 276.373322 41.0 279.072845 18.0 280.076172 18.0 281.087769 117.0 282.090759 17.0 288.064484 17.0 291.072937 37.0 297.084717 17.0 309.082642 188.0 309.249695 18.0 312.855774 20.0 321.075592 17.0 323.098083 581.017578 324.096283 129.0 325.09906 41.0 341.107635 499.0 342.118011 19.0 345.101501 17.0 349.138977 20.0 351.102997 26.0 365.109711 18.0 369.102509 408.0 377.088287 30.0 383.119751 1487.0 384.12207 155.0 384.313446 20.0 385.126556 44.0 407.119598 115.0 408.118896 17.0 409.11438 36.0 411.115845 305.0 412.126465 75.0 413.112457 18.0 417.27536 20.0 425.12262 106.0 425.320007 26.0 452.028076 29.0 453.128998 456.0 454.128601 85.0 455.122681 17.0 471.129456 43.0 471.168701 17.0 472.135864 20.0 479.242249 19.0 485.154846 56.0 496.837341 18.0 503.160004 4461.340332 504.160767 579.0 505.030212 18.0 505.169281 190.0 506.179718 18.0 510.215546 27.0 515.347412 18.0 519.076172 22.0 529.15863 18.0 531.147888 21.0 531.17688 20.0 533.15094 31.0 558.685059 24.0 565.303284 21.0 565.782654 18.0 566.322937 21.0 567.13208 4652.788086 567.252808 25.0 568.13916 1168.0 568.72345 23.0 569.129578 1774.84082 569.340393 18.0 569.943665 18.0 570.130493 308.0 570.213989 77.0 571.130981 18.0 635.277649 28.0 697.701721 18.0 843.729797 18.0 END IONS BEGIN IONS SCANS=283 PEPMASS=164.83652 CHARGE=-1 COLLISION_ENERGY=0.0 62.991962 67.0 70.997711 25.0 84.318901 25.0 92.048958 20.0 93.037308 20.0 100.039627 74.0 101.037819 23.0 111.104912 21.0 114.992645 21.0 117.920692 21.0 119.909599 43.0 127.873367 35.0 132.866379 40.0 134.640152 18.0 147.01268 18.0 149.010315 60.0 154.95137 21.0 163.833588 18.0 163.849701 19.0 163.890015 18.0 164.037216 58.0 164.837753 455.0 166.058746 51.0 166.83519 49.0 186.012512 18.0 190.041687 21.0 208.533981 47.0 212.169678 21.0 263.255951 25.0 267.516632 18.0 283.729736 23.0 284.896362 26.0 294.501434 20.0 298.593048 39.0 326.935364 21.0 329.798248 18.0 368.878723 30.0 369.415222 18.0 399.91748 17.0 514.382629 22.0 537.740479 24.0 550.249939 18.0 566.771301 20.0 591.5495 19.0 652.168884 24.0 698.749573 19.0 END IONS BEGIN IONS SCANS=284 PEPMASS=341.10808 CHARGE=-1 COLLISION_ENERGY=0.0 50.691135 22.0 51.563297 23.0 53.420914 19.0 56.246529 44.0 59.013939 298.0 59.477848 23.0 60.890507 26.0 61.633755 19.0 62.697124 20.0 64.847694 29.0 65.557526 18.0 67.924408 18.0 68.399086 17.0 68.812965 21.0 69.979164 20.0 71.012688 274.0 71.092041 35.0 72.084671 21.0 72.902885 18.0 74.101761 20.0 75.299706 19.0 82.987206 18.0 83.01162 39.0 84.054108 24.0 84.850258 19.0 85.030365 45.0 86.432991 18.0 88.986923 26.0 89.023926 613.0 89.268188 18.0 90.025986 39.0 90.479706 18.0 91.027763 18.0 92.101669 18.0 92.924309 58.0 93.680138 47.0 94.917816 18.0 94.927345 28.0 99.00425 26.0 101.022728 294.0 102.030083 21.0 102.967491 21.0 104.761307 22.0 104.796532 31.0 107.051468 41.0 109.016403 21.0 109.028969 18.0 109.744766 34.0 113.024025 307.0 113.549683 22.0 114.027229 25.0 114.954514 25.0 115.035118 18.0 117.682373 28.0 119.034409 237.0 119.226036 18.0 121.982498 20.0 124.804039 30.0 125.880005 28.0 126.258217 24.0 126.912941 24.0 129.428024 35.0 131.037506 78.0 132.907104 17.0 136.706696 18.0 137.869644 18.0 138.880371 20.0 139.675827 25.0 140.874603 18.0 141.069061 31.0 143.033585 59.0 143.094635 18.0 144.061737 18.0 144.366684 19.0 145.962402 20.0 149.045822 20.0 149.435013 27.0 152.732315 20.0 153.104568 18.0 153.220718 28.0 161.048523 113.50264 161.896469 20.0 162.047272 18.0 162.898514 30.0 163.561829 18.0 164.035034 18.0 165.220459 17.0 166.055023 26.0 166.119324 18.0 175.920471 18.0 176.018951 18.0 178.924057 17.0 179.056595 403.0 181.914993 40.0 182.418427 52.0 182.857025 35.0 182.932266 18.0 184.941818 22.0 185.01413 18.0 186.094757 24.0 186.869659 35.0 186.903305 21.0 187.029663 18.0 188.984695 24.0 189.084976 17.0 196.673691 20.0 198.698257 19.0 199.721039 22.0 200.123932 18.0 205.052078 20.0 205.514038 23.0 207.053635 20.0 207.982208 47.0 208.503677 38.0 208.843811 37.0 209.397461 17.0 210.840698 18.0 217.036392 29.999998 221.060287 18.0 221.401245 20.0 222.860886 50.0 222.884079 18.0 223.864243 18.0 228.563339 19.0 231.521317 18.0 231.924835 21.0 232.02063 20.0 235.846695 20.0 241.43222 23.0 243.410507 18.0 248.825287 17.0 249.128494 27.0 251.115417 20.0 252.06958 27.0 253.044022 18.0 255.231903 20.0 270.072968 18.0 270.476379 18.0 280.264252 17.0 289.073456 23.0 295.935455 19.0 297.051575 50.0 305.046539 20.0 306.039185 18.0 311.17395 18.0 315.295746 22.0 316.083557 17.0 324.79895 20.0 325.185669 25.0 337.984039 18.0 339.722382 18.0 340.214935 60.0 341.110535 502.0 341.188293 22.0 342.090057 25.0 342.122345 38.0 343.114807 58.0 344.100586 18.0 344.215485 38.0 349.082581 20.0 350.109863 20.0 359.635437 20.0 374.044556 17.0 374.43277 17.0 376.240204 17.0 377.08609 254.0 378.080353 37.0 379.082581 149.0 380.086945 21.0 400.02655 21.0 408.203888 18.0 420.694489 23.0 427.958099 19.0 435.036987 17.0 459.25238 19.0 473.746765 18.0 474.858673 20.0 480.140808 19.0 494.977875 31.0 520.310913 18.0 552.95282 17.0 556.141968 20.0 567.129211 57.0 569.119324 18.0 587.383179 31.0 610.482849 22.0 614.222595 37.0 624.07196 26.0 626.755615 30.0 709.813477 19.0 723.205688 30.0 732.695862 68.0 753.96991 18.0 772.861877 32.0 870.666016 18.0 870.752563 39.0 871.204956 22.0 916.900696 18.0 921.523193 17.0 958.087219 28.0 971.826538 22.0 981.029602 21.0 988.694763 24.0 990.383179 18.0 1009.649048 19.0 1066.513062 18.0 1097.664185 18.0 1111.097656 19.0 1114.724243 18.0 1114.86084 33.0 1116.579956 32.0 1130.40686 39.0 1132.922241 18.0 1133.99292 26.0 1152.214722 18.0 1158.922607 29.0 END IONS BEGIN IONS SCANS=285 PEPMASS=369.13025 CHARGE=0 COLLISION_ENERGY=0.0 59.011715 38.0 71.014198 22.0 71.3479 17.0 72.006264 158.0 73.029915 76.0 74.027924 39.0 77.799202 18.0 80.054153 32.0 85.030563 37.0 89.022408 36.0 100.080574 29.0 101.026047 56.398579 114.054482 17.0 116.050415 24.0 117.054138 20.0 119.037506 25.0 119.322281 18.0 121.051025 19.0 126.054985 18.0 128.046082 49.0 130.058472 17.0 131.037003 67.0 132.043396 18.0 132.080124 20.0 134.053726 91.0 142.065048 245.0 143.033981 20.0 143.069794 97.0 144.04689 435.245209 145.014893 33.0 145.048187 38.0 145.065491 62.0 146.063065 507.0 147.066147 41.0 149.989548 20.0 152.985809 23.0 154.061493 50.0 154.951523 17.0 157.052277 42.0 158.062012 874.0 158.122864 23.0 159.064133 133.0 159.092987 18.0 160.036789 20.0 160.063446 22.0 161.045807 48.0 162.052597 92.0 163.052292 36.0 164.034119 24.0 166.579819 20.0 167.034195 39.0 167.05838 115.999992 167.091461 17.0 168.0495 19.0 168.957687 17.0 169.051453 51.70882 169.076797 2617.876465 170.061401 1415.983643 170.0867 249.547607 170.338074 17.0 171.065842 256.0 171.099915 74.0 172.038589 76.0 172.072311 113.0 173.035507 19.0 173.082489 46.0 174.058792 22.0 175.082382 20.0 177.133575 18.0 177.868011 19.0 181.07695 356.0 181.933777 25.0 182.059692 92.0 182.086258 62.0 182.868179 37.0 183.051437 19.0 183.065384 21.615082 183.090714 59.0 184.073593 38.0 186.054077 17.0 186.088654 18.0 187.051147 18.0 187.06871 35.0 187.092789 23.0 188.072144 462.0 189.06723 17.0 190.049561 257.0 191.051117 19.0 196.146164 59.0 197.078598 64.0 199.086685 1885.968506 200.089188 354.484314 201.042801 34.0 201.067993 46.0 201.097748 36.0 202.050812 513.092529 202.278107 23.0 203.058212 20.0 203.088455 21.0 204.064285 23.0 206.072769 20.0 206.811981 20.0 211.093155 118.0 212.02121 35.0 212.072296 22.0 212.095169 18.0 213.064545 77.0 214.04039 27.0 214.066345 49.267532 215.089645 20.0 217.095154 116.0 218.080124 18.0 219.074249 18.0 222.113602 29.0 224.06282 20.0 225.058502 20.0 231.081223 55.0 232.062515 27.0 233.061447 18.0 233.084518 18.0 234.864151 18.0 235.840118 17.0 239.872849 18.0 240.693405 19.0 241.10788 26.0 242.1026 21.0 243.077728 198.0 244.040237 18.0 244.082657 25.0 245.1138 18.0 249.090256 280.0 250.090668 24.0 256.246185 22.0 261.084534 60.0 264.013885 19.0 270.791626 20.0 272.099304 17.0 273.06073 22.0 273.087311 17.0 276.874329 18.0 277.052948 19.0 278.967041 18.0 279.100281 120.0 283.060577 51.0 286.167175 18.0 288.548126 22.0 292.130066 25.0 292.891327 18.0 295.893433 20.0 296.116089 56.0 296.880249 20.0 299.990601 21.0 301.157227 76.0 302.156616 22.0 308.108765 26.0 309.069916 18.0 310.109131 30.0 311.171051 163.0 312.170227 36.0 313.169983 18.0 313.896393 20.0 314.165436 22.0 322.853455 38.0 331.160095 35.0 332.961823 54.0 335.867249 20.0 344.008911 20.0 350.830505 22.0 352.105835 238.0 352.857208 36.0 353.100098 78.0 354.839447 18.0 369.087036 18.0 369.131134 360.0 369.193329 18.0 370.033478 23.0 370.129974 60.0 371.114044 21.0 371.294434 21.0 372.187592 55.0 373.162933 20.0 384.354401 18.0 391.318542 18.0 706.255737 22.0 909.582214 18.0 END IONS BEGIN IONS SCANS=286 PEPMASS=380.08579 CHARGE=-1 COLLISION_ENERGY=0.0 51.024094 60.0 55.020702 36.0 59.012508 616.077759 59.246395 25.0 59.315632 21.0 60.015987 60.0 71.013527 1031.0 71.233688 20.0 72.017181 88.0 72.917747 23.0 73.027626 72.0 80.099556 21.0 81.034698 29.0 83.013527 39.0 84.020569 18.0 85.027252 206.0 85.680939 18.0 86.036301 56.0 87.008163 44.0 87.045097 18.0 89.023781 2742.144775 89.534286 25.0 90.027435 129.0 91.027298 138.0 92.927933 18.0 95.012032 45.0 96.01799 28.0 97.027786 80.0 101.023872 1573.0 102.028236 155.0 102.128937 20.0 103.399994 25.0 105.033882 18.0 107.015923 19.0 107.033607 48.0 109.028145 17.0 113.023369 1874.748413 114.024368 66.0 115.00399 17.0 115.022919 36.0 115.041679 17.0 119.034271 1961.0 120.040749 159.0 120.269119 19.0 120.334808 21.0 120.970825 20.0 121.038849 108.0 123.052551 22.0 125.011337 16.261345 125.022186 45.058083 126.017296 18.0 128.033615 20.0 128.089539 21.0 131.035248 240.0 132.038666 20.0 132.063522 20.0 132.618362 20.0 134.047577 134.0 136.039429 32.0 139.042511 57.0 143.034683 342.0 144.036743 105.0 146.043213 21.0 146.136719 17.0 148.039932 18.0 149.046539 254.0 150.026733 18.0 150.048111 24.0 151.040512 18.0 158.092209 26.0 159.028488 19.0 159.755173 18.0 159.892578 24.0 160.049316 33.0 160.839432 23.0 161.045929 1415.0 161.167877 18.0 162.04834 216.0 162.080719 20.0 162.919296 18.0 163.066605 19.0 163.894058 17.0 164.037445 18.0 164.050552 29.039125 165.035065 27.0 165.917206 22.0 168.030441 27.0 170.686142 18.0 172.042435 21.0 174.043335 20.0 177.859314 18.0 179.055786 5236.279785 179.100494 19.0 179.222595 17.0 180.056946 626.0 181.061157 238.0 182.056473 39.0 182.488892 17.0 185.059189 20.0 188.037338 26.0 188.856216 25.0 189.044678 21.0 190.053024 46.0 193.896729 20.0 199.018677 376.0 199.633179 18.0 200.021912 80.0 201.018356 17.0 201.180267 28.0 206.069794 96.0 209.426376 18.0 212.938431 18.0 213.061996 67.0 214.951614 24.0 215.034714 162.44751 216.030945 89.0 217.028915 1331.945679 218.029297 115.0 219.02417 37.0 220.025665 27.0 220.74884 18.0 221.063843 264.0 221.902451 20.0 222.068161 98.0 222.86734 18.0 224.069473 26.0 224.849701 34.0 232.089813 22.0 234.135101 24.0 235.048935 18.0 235.986374 17.0 236.013336 17.0 242.011002 21.0 251.074188 96.0 254.938675 30.0 255.108429 27.0 259.119232 22.0 260.651367 18.0 268.27948 25.0 269.122498 25.0 273.996185 23.0 281.094788 182.0 281.610077 18.0 283.068573 17.371454 283.094849 58.628544 290.517487 18.0 300.086365 38.0 301.090637 36.0 322.101624 20.0 323.10498 22.0 325.815979 18.0 334.846558 36.0 335.021423 49.0 336.096161 20.0 337.030243 18.0 341.108459 9733.0 341.191772 18.0 342.111877 2051.0 342.167511 22.0 342.764008 17.0 342.897736 20.0 343.112305 1255.0 343.465088 18.0 343.627899 18.0 344.113403 152.0 345.119354 58.0 345.936798 25.0 347.122864 20.0 347.853607 18.0 349.513458 18.0 356.980347 28.0 377.097565 17.0 379.082123 7046.362305 380.013855 21.0 380.085693 1684.927246 380.139526 26.0 380.177765 20.0 380.672424 18.0 381.087097 333.0 381.148529 42.0 381.193024 18.0 382.114258 42.0 383.097107 19.0 383.144257 17.0 383.519989 18.0 389.29126 20.0 393.518951 18.0 426.889282 22.0 504.742859 29.0 544.147583 20.0 719.206238 18.0 844.436646 43.0 1102.747314 19.0 END IONS BEGIN IONS SCANS=287 PEPMASS=377.08539 CHARGE=-1 COLLISION_ENERGY=0.0 53.038006 26.0 53.12315 18.0 55.020203 92.0 56.995049 18.0 57.0331 110.0 57.489235 18.0 58.687664 20.0 59.012943 3546.0 59.246105 18.0 59.334595 19.0 60.015938 74.0 61.839188 22.0 61.985962 23.0 63.05534 20.0 66.589027 22.0 67.472549 18.0 67.743629 22.0 70.12764 34.0 71.012863 4691.0 71.049576 18.0 71.319969 28.0 71.492699 19.0 71.541679 18.0 71.564575 21.0 71.941246 18.0 72.014244 105.0 72.200203 24.0 72.941742 19.0 73.027763 149.0 73.894516 20.0 74.033592 20.0 76.31002 19.0 76.757416 17.0 79.204552 18.0 81.035378 26.0 81.66378 25.0 82.575661 27.0 82.953514 21.0 83.012589 221.0 84.077133 21.0 85.029106 532.0 85.23941 17.0 86.281242 20.0 86.809952 17.0 86.81958 19.0 87.009293 240.0 87.041992 40.0 87.461342 18.0 87.792809 19.0 88.007805 35.0 88.749069 17.0 88.762276 21.0 89.023537 13901.0 89.205742 20.0 89.49189 20.0 89.661835 20.0 89.695877 18.0 89.753181 20.0 90.028145 598.0 90.2034 18.0 90.381531 25.0 91.027718 112.0 91.654533 24.0 92.092468 25.0 92.248779 17.0 93.045876 21.0 94.922928 24.0 95.013817 174.0 96.969948 34.0 97.028374 256.0 98.02729 20.0 99.009521 55.0 99.030846 22.0 99.042252 18.0 99.157944 18.0 99.412392 17.0 99.579468 20.0 99.827057 26.0 100.009209 41.0 101.023888 7385.990234 101.556068 18.0 101.600685 17.0 101.703316 21.0 101.955505 24.0 102.027504 517.0 102.661476 22.0 102.813812 17.0 103.031464 47.0 104.922798 18.0 105.311111 26.0 106.98822 38.0 107.034439 230.0 108.040718 23.0 108.987938 28.0 110.273003 20.0 110.650711 23.0 111.046379 19.0 112.989517 21.0 113.023659 6937.924805 113.047745 18.1436 113.249687 23.0 113.689163 17.0 114.026833 414.0 114.950348 60.0 115.037987 161.866379 115.280594 18.0 115.854904 18.0 116.110031 18.0 116.674454 19.0 117.014854 35.0 117.92067 21.0 118.895683 18.0 119.001587 24.0 119.034233 9184.785156 119.360634 18.0 119.452927 20.0 119.67823 23.0 120.016129 24.0 120.038246 364.0 120.056961 18.0 120.145065 24.0 120.497002 18.0 121.043961 93.0 121.95742 17.0 123.0308 18.0 124.012756 18.0 124.037056 18.0 124.681778 21.0 125.023254 250.0 126.10318 18.0 127.006165 18.0 129.01712 55.0 129.05481 18.0 130.823471 18.0 131.035919 1629.815552 131.257751 21.0 131.571976 45.0 131.914261 25.0 132.038239 108.0 132.762665 20.0 132.862717 46.0 134.403046 18.0 134.928055 27.0 135.042709 17.0 136.762268 34.0 136.85144 18.0 139.024261 19.0 139.042206 20.0 140.031921 20.0 142.022079 33.0 142.613937 18.0 143.03418 2958.0 143.624588 18.0 143.677383 38.0 143.719757 17.0 143.931671 19.0 144.039749 127.0 144.455002 17.0 144.997299 28.0 145.035522 34.0 145.950302 18.0 146.007675 17.0 146.035385 20.0 148.082382 27.0 148.483459 18.0 148.671432 22.0 148.909439 18.0 149.018387 66.399628 149.044647 1812.386841 149.490784 18.0 149.784988 18.0 149.984756 28.0 150.008072 21.0 150.046051 38.0 150.236008 31.0 150.601364 20.0 151.044586 38.0 151.329224 18.0 151.850433 19.0 151.950867 20.0 155.004456 26.0 155.036682 26.0 156.895813 18.0 158.019974 17.0 158.044098 26.0 158.810074 18.0 159.031311 76.0 160.921738 18.0 160.992233 30.987598 161.007095 71.012405 161.044586 7079.96875 161.625916 18.0 161.701065 24.0 161.745987 39.0 161.776672 24.0 161.843994 17.0 162.048508 588.0 163.056839 39.0 164.342819 18.0 164.664429 18.0 166.018036 17.0 166.579391 18.0 167.495483 24.0 169.047958 23.0 173.097748 20.0 173.888474 25.0 175.058731 18.0 175.599655 37.0 176.067749 27.0 176.405472 18.0 176.979889 17.0 177.037109 18.0 177.396851 17.0 178.168411 29.0 178.501556 22.0 178.646423 19.0 178.963821 18.0 179.009064 30.796272 179.024094 73.50135 179.055344 23775.292969 179.116165 38.650249 179.251465 20.0 179.455215 18.0 179.632339 18.0 179.692535 22.0 179.780777 18.0 179.895554 17.0 179.975464 34.0 180.004013 19.0 180.058624 1521.447144 180.169205 20.0 180.238022 18.0 180.492706 22.0 180.674576 24.0 180.72998 53.0 181.062744 203.0 181.269897 18.0 181.328644 20.0 181.390579 21.0 181.575714 17.0 182.061554 35.0 182.095413 18.0 182.985016 18.0 183.931122 17.0 184.542938 17.0 184.792862 21.0 185.043991 20.0 185.09964 18.0 186.161835 18.0 188.897751 18.0 190.845535 18.0 192.904404 40.0 197.02182 993.0 198.02034 42.0 198.531387 24.0 199.019424 371.0 200.076843 20.0 200.203629 23.0 202.840012 20.0 203.060333 56.0 206.686279 17.0 207.135864 18.0 209.069092 18.0 209.570969 18.0 212.147537 23.0 213.111481 33.0 215.031937 7095.449707 215.102692 18.0 216.037537 571.0 216.594345 18.0 217.029495 2347.0 218.028412 143.0 220.231415 19.0 220.555328 23.0 221.066818 1482.0 221.914948 18.0 222.043839 26.367535 222.070786 194.956573 223.073334 20.0 226.094131 20.0 226.906952 17.0 228.875793 18.0 231.040375 17.0 231.788879 21.0 233.064987 65.0 233.129562 18.0 234.2659 18.0 235.057419 20.0 241.809265 18.0 247.046188 25.0 251.074966 572.990051 252.080154 25.0 252.398392 26.0 254.903931 17.0 255.255219 18.0 260.157349 19.0 260.885376 18.0 263.080353 26.0 269.091248 38.0 271.083374 30.0 278.68103 22.0 279.191345 19.0 281.024994 17.0 281.082825 348.267944 282.08963 60.0 285.671051 26.0 287.073425 20.0 291.381409 17.0 294.03775 26.0 298.022705 27.0 303.898315 17.0 306.873169 37.0 307.125732 33.0 309.07431 28.0 311.099426 18.0 315.997986 26.0 316.719299 30.0 317.627014 21.0 323.090973 41.154755 323.110596 82.310089 324.097809 22.0 326.833649 19.0 331.747833 57.0 334.900757 27.0 336.013458 18.0 336.092896 21.0 336.144806 20.0 336.185883 18.0 336.295837 18.0 336.61618 20.0 338.077942 17.0 339.732391 18.0 339.967499 18.0 340.319855 18.0 340.790497 18.0 340.919098 17.0 340.961273 18.0 340.991058 39.0 341.039337 36.0 341.107605 49210.0 341.191406 1397.0 341.271393 19.0 341.782806 18.0 341.888336 17.0 342.111725 7907.0 342.381195 35.0 342.437775 25.0 342.536713 18.0 342.604706 22.0 343.11322 1491.0 343.16861 18.0 343.454163 26.0 343.772095 17.0 343.941803 18.0 344.115845 243.0 344.337494 20.0 344.557587 18.0 345.098389 17.0 345.737122 20.0 346.59613 18.0 346.896271 20.0 347.133301 24.0 347.259918 27.0 349.625397 22.0 349.663147 18.0 349.939758 18.0 351.240295 20.0 351.754517 25.0 351.791077 18.0 354.712646 27.0 355.28775 18.0 358.878723 18.0 359.990021 17.0 371.461212 22.0 371.548615 19.0 372.281036 20.0 373.48291 18.0 376.942291 37.0 376.984802 17.0 377.084045 35423.0 377.172943 1151.0 377.232239 38.0 377.302063 141.0 377.391663 49.0 377.456696 18.0 377.80246 18.0 378.002289 18.0 378.025909 19.0 378.087524 6542.947754 378.182312 134.0 378.216156 17.0 378.291626 21.0 378.359039 19.0 378.517426 31.0 378.59967 17.0 378.863464 18.0 379.030975 23.0 379.082428 13541.637695 379.171112 303.99823 379.241882 18.0 379.298706 24.0 379.365295 18.0 379.396729 18.0 379.624481 18.0 379.782257 18.0 379.936523 17.0 379.991608 17.0 380.086426 1744.0 380.170502 24.0 380.72818 18.0 381.089325 78.0 381.148773 20.0 381.231262 18.0 382.079132 22.0 382.41568 25.0 382.886108 19.0 382.940033 35.0 383.201141 18.0 385.300964 17.0 385.560364 18.0 386.087097 18.0 387.435944 20.0 387.614044 18.0 390.239227 22.0 391.628448 20.0 393.503265 21.0 404.439026 21.0 418.493317 20.0 419.534821 20.0 420.671661 22.0 421.168518 30.0 426.489105 20.0 428.786102 20.0 442.968292 18.0 463.008514 40.0 538.604614 20.0 538.778992 18.0 542.78772 20.0 544.744446 18.0 555.265442 17.0 583.910645 18.0 587.93811 20.0 589.703613 28.0 595.131775 18.0 621.50415 21.0 642.358765 20.0 654.185242 23.0 694.436707 20.0 704.282898 22.0 760.784241 34.0 775.742798 17.0 842.232422 18.0 942.986816 18.0 991.482605 20.0 999.564575 19.0 1002.278503 18.0 1021.590088 24.0 1038.991699 17.0 1057.533447 19.0 1083.121826 21.0 1159.015259 17.0 1159.625977 21.0 1176.332397 35.0 1177.509888 48.0 1179.5979 17.999998 1184.514648 18.0 1196.427124 22.0 1197.640991 23.0 END IONS BEGIN IONS SCANS=288 PEPMASS=195.81008 CHARGE=-1 COLLISION_ENERGY=0.0 51.738609 19.0 52.794548 17.0 53.611702 18.0 55.02256 19.0 55.202858 20.0 55.378288 19.0 55.56041 18.0 56.351028 21.0 56.832382 18.0 56.998325 18.0 57.057583 21.0 57.321198 18.0 59.013294 18.0 59.038773 20.0 59.259018 18.0 59.400303 22.0 63.69408 18.0 64.117889 19.0 64.286209 18.0 64.709579 18.0 66.000778 18.0 66.416031 17.0 66.507957 24.0 67.466095 20.0 68.215454 37.0 68.745857 20.0 70.542046 37.0 71.614822 19.0 72.227386 23.0 72.996155 40.0 73.029251 18.0 73.067413 29.0 74.000336 17.0 75.007126 429.0 79.611107 24.0 79.957405 21.0 80.266212 28.0 80.540833 17.0 80.755951 18.0 83.191162 28.0 85.025734 18.0 85.100845 33.0 85.679443 24.0 86.333107 18.0 86.39679 17.0 87.012871 20.0 88.4245 23.0 88.589119 18.0 89.05687 21.0 89.932045 18.0 90.671379 20.0 92.199669 18.0 94.927177 18.0 95.24144 23.0 95.295815 29.0 95.628258 18.0 95.761513 19.0 96.810089 25.0 96.935959 20.0 98.310516 18.0 98.361053 18.0 99.008293 61.0 99.539719 18.0 100.041634 29.0 100.056473 24.0 101.025459 33.0 101.928955 18.0 103.009613 18.0 104.149506 24.0 106.866341 22.0 107.092499 30.000002 107.77964 20.0 107.954651 20.0 108.025497 19.0 108.312996 22.0 110.067352 18.0 111.003883 20.0 111.022011 22.0 111.834946 26.0 111.853584 32.0 112.100342 18.0 112.158905 22.0 113.025925 23.0 113.450233 21.0 115.046852 20.0 117.016716 17.0 117.272263 33.0 117.620056 18.0 118.926346 22.0 119.948181 25.0 120.903984 20.0 121.264618 29.0 122.032562 22.0 122.893074 18.0 123.614464 19.0 123.960762 22.0 128.067276 20.0 129.019135 154.0 132.426056 23.0 133.721939 23.0 135.041443 62.0 136.067535 17.0 137.739426 48.0 141.835114 31.0 146.313293 18.0 151.005875 18.0 151.080627 18.0 152.568146 52.0 153.018906 23.0 158.458374 32.0 158.511459 17.0 158.846054 230.0 159.0327 18.0 159.523758 17.0 159.8806 18.0 159.929123 19.0 160.447586 18.0 160.841095 22892.882812 160.900482 37.0 160.923157 18.0 161.202332 24.0 161.40567 20.0 161.843323 423.0 161.926361 18.0 162.031555 19.0 162.091614 22.0 162.294418 18.0 162.669281 17.0 162.691452 33.0 162.808273 17.0 162.838623 17846.490234 162.960403 19.0 163.416245 19.0 163.840851 319.0 163.886169 41.0 164.260513 51.0 164.836258 1211.0 164.906693 20.0 165.875137 22.0 166.240265 20.0 166.285507 17.0 166.50676 18.0 166.782806 20.0 169.022903 50.0 170.617111 17.0 170.818573 18.0 170.966721 17.0 171.455246 22.0 171.494125 18.0 171.672012 24.0 172.558151 19.0 176.89415 92.0 177.410004 18.0 179.055298 22.0 180.86972 17.0 181.016281 24.0 182.859726 21.0 185.268021 18.0 185.968552 20.0 187.120041 20.0 187.150269 19.0 190.798508 22.0 193.035965 23.0 194.3405 22.0 194.906219 18.0 195.049988 445.0 195.810211 3586.0 196.810806 56.0 197.807724 4773.0 198.808075 135.737091 199.023163 148.158203 199.805283 510.0 199.832901 20.0 199.921066 40.0 200.80069 18.0 200.819611 22.0 201.446564 24.0 201.793762 18.0 201.850922 20.0 202.405228 18.0 202.547302 20.0 203.514725 17.0 204.280746 22.0 206.58255 20.0 207.476593 18.0 210.276474 18.0 211.271576 17.0 218.789948 18.0 219.396561 21.0 220.833359 31.0 221.997818 18.0 231.5168 17.0 235.168777 27.0 237.997528 18.0 260.791565 18.0 271.574707 17.0 272.378204 20.0 276.001282 25.0 278.230164 18.0 278.40155 18.0 279.08194 19.0 280.766418 19.0 281.934509 26.0 283.811371 17.0 284.486053 23.0 291.211975 21.0 302.393188 18.0 306.971924 20.0 314.644958 30.0 316.114868 20.0 347.458069 19.0 349.08609 17.0 353.058685 18.0 359.309021 18.0 365.984314 18.0 377.090485 49.0 379.079651 22.0 393.378998 22.0 397.396576 19.0 404.91452 21.0 405.471558 25.0 414.791748 23.0 415.288269 19.0 416.123383 24.0 420.894623 21.0 421.136261 18.0 422.732635 18.0 435.708954 20.0 437.268494 18.0 444.040436 31.0 464.494293 26.0 474.793243 20.0 475.184784 17.0 489.627411 21.0 503.153961 18.0 508.152985 17.0 515.53064 18.0 537.482361 19.0 540.441467 19.0 542.912964 20.0 554.643555 27.0 655.56012 20.0 697.2099 20.0 785.879822 18.0 907.195374 20.0 925.048218 18.0 934.594727 18.0 949.709045 20.0 951.061523 27.0 985.985718 19.0 1003.743958 19.0 1006.772949 18.0 1017.497131 21.0 1027.74707 18.0 1032.58313 24.0 1076.527832 18.0 1081.87439 21.0 1112.036133 18.0 1125.196899 18.0 1144.344482 17.0 1149.114624 22.0 1151.092407 17.0 1156.943726 42.0 1164.480835 20.0 1165.483398 27.0 1166.903809 32.0 1173.991577 18.0 1196.782593 20.0 1199.432495 18.0 END IONS BEGIN IONS SCANS=289 PEPMASS=85.02885 CHARGE=0 COLLISION_ENERGY=0.0 51.800583 18.0 51.810181 18.0 52.455803 18.0 52.798561 20.0 52.910652 18.0 56.168545 20.0 56.495632 21.0 57.16761 20.0 58.095032 18.0 59.230225 18.0 60.012436 18.0 60.665176 17.0 61.962948 18.0 66.321815 18.0 66.603157 36.0 68.735458 21.0 68.801727 21.0 71.766312 20.0 72.465202 18.0 73.064896 28.0 73.780014 19.0 74.255264 23.0 74.804024 18.0 75.223312 17.0 76.811691 20.0 77.457123 18.0 79.941811 19.0 81.480438 23.0 86.620178 21.0 87.190094 26.0 87.365494 22.0 87.417206 18.0 88.041534 35.0 89.061676 22.0 90.885185 17.0 92.45739 20.0 93.602348 18.0 93.652718 28.0 94.378143 20.0 96.033379 27.0 96.577423 55.0 97.244858 25.0 97.784607 30.0 99.251755 19.0 102.456726 20.0 111.163345 19.0 111.244774 34.0 111.539955 20.0 113.064491 23.0 113.547325 21.0 113.736832 18.0 114.877258 22.0 116.279343 19.0 124.705627 19.0 125.425079 18.0 129.257812 18.0 137.955414 39.0 138.478638 61.0 143.025375 17.0 143.058823 17.0 153.373444 17.0 160.644501 20.0 162.586441 18.0 170.291916 19.0 188.827576 18.0 190.897156 19.0 192.262955 18.0 194.356155 30.0 194.75238 30.0 194.926483 18.0 201.11235 21.0 201.502228 25.0 205.445389 30.0 205.557953 20.0 206.816315 18.0 209.052597 28.0 210.365234 20.0 212.163528 19.0 213.632721 22.0 214.694473 21.0 215.510117 18.0 216.980606 17.0 217.259094 20.0 226.749069 22.0 241.844894 18.0 243.94455 20.0 245.223846 18.0 250.480621 18.0 254.23143 30.0 257.348724 26.0 258.261963 19.0 268.123993 28.0 311.962646 20.0 321.806885 31.0 323.099426 20.0 330.398773 18.0 330.918884 18.0 332.01001 17.0 344.831146 19.0 359.175873 18.0 377.094238 39.0 378.078613 34.0 446.648224 18.0 483.427216 17.0 583.684692 40.0 672.733826 27.0 717.339111 18.0 727.187744 18.0 890.440125 32.0 917.415833 18.0 1007.028381 29.0 1050.358887 20.0 1060.103394 26.0 1071.686646 18.0 1098.120972 30.999998 1132.163696 23.0 1155.080322 30.0 1164.594604 18.0 1167.995117 18.0 1168.685303 20.0 1168.979736 17.0 1169.580078 18.0 END IONS BEGIN IONS SCANS=290 PEPMASS=351.088 CHARGE=-1 COLLISION_ENERGY=0.0 59.017838 27.0 79.000946 17.0 88.987564 20.0 89.023865 113.0 97.943336 18.0 101.026207 57.0 102.025772 18.0 104.922073 18.0 111.007431 19.0 113.02021 18.0 118.89856 17.0 119.034424 23.0 120.949036 30.0 125.871216 18.0 134.931107 18.0 136.923798 17.0 139.941452 31.0 139.968475 32.0 141.066666 19.0 141.865707 17.0 141.936035 18.0 143.923859 21.0 144.047791 20.0 145.067337 18.0 147.937286 57.0 148.910263 18.0 149.041656 43.0 149.929718 28.0 150.915771 18.0 152.878174 18.0 154.997025 18.0 155.958221 18.0 156.897888 21.0 158.086533 18.0 159.89006 47.0 160.891449 18.0 161.883301 20.0 162.978577 24.0 164.036362 47.0 171.926987 22.0 173.064407 27.0 174.863922 18.0 175.915466 37.0 176.014694 67.0 176.856705 58.0 177.858231 40.0 178.86351 55.0 178.897491 26.0 178.925369 22.0 179.055374 54.0 179.864014 34.0 180.052628 24.0 180.854553 18.0 191.925125 19.0 192.902115 18.0 195.075272 26.0 196.973129 22.0 199.948151 36.0 202.048141 19.0 203.966187 20.0 208.959991 33.0 209.858215 17.0 210.89827 18.0 214.969772 18.0 215.117844 17.0 219.078751 20.0 230.164841 29.0 234.916656 17.0 235.921387 17.0 236.864487 18.0 237.918808 26.0 240.400391 18.0 241.00621 20.0 241.9646 18.0 254.163361 19.0 260.907593 24.0 260.975708 104.0 261.930328 21.0 265.139801 19.0 277.004669 22.0 292.055298 18.0 292.809784 17.0 298.979187 40.0 304.964508 118.0 306.218994 21.0 306.755035 20.0 306.961731 37.0 313.117981 306.0 314.116058 127.0 314.871246 49.0 315.129242 23.0 315.169861 47.0 317.199249 18.0 318.092133 19.0 322.90094 17.0 350.093201 153.0 351.091766 75.0 353.205383 17.0 353.916901 18.0 455.866028 26.0 608.323608 18.0 638.961609 18.0 803.211182 20.0 END IONS BEGIN IONS SCANS=291 PEPMASS=349.09021 CHARGE=-1 COLLISION_ENERGY=0.0 52.483276 17.0 59.013565 209.0 59.871487 18.0 71.013344 146.0 72.015831 17.0 76.938416 20.0 85.029732 18.0 87.048485 26.0 89.023781 733.0 89.368011 17.0 89.43692 18.0 90.030563 43.0 91.366432 19.0 101.024887 244.0 101.972466 18.0 102.013741 20.0 103.506874 18.0 104.915649 20.0 107.179359 22.0 107.838547 24.0 111.009033 66.0 111.055489 21.0 113.023766 254.0 114.028465 23.0 115.039185 18.0 119.035126 663.0 120.038864 39.0 120.153358 17.0 123.645653 20.0 129.93689 18.0 130.670868 18.0 131.03476 133.0 132.035934 20.0 132.070374 19.0 134.927261 18.0 137.031921 23.0 141.940948 37.0 143.035538 196.0 143.292221 20.0 144.954514 18.0 146.909988 18.0 147.945435 18.0 148.910004 25.0 149.0457 132.0 151.066422 48.763397 156.886093 33.0 157.93277 63.0 158.887863 18.0 160.895905 46.0 161.045135 301.144775 162.841476 28.0 163.060516 46.0 164.037155 110.0 165.038147 22.0 165.975082 18.0 167.592316 21.0 171.954651 20.0 173.012131 35.0 173.100601 24.0 174.862091 35.0 176.860855 27.0 176.899582 18.0 177.236938 18.0 178.860199 81.0 178.920776 21.0 179.055725 1196.0 180.060867 93.0 182.865128 17.0 182.954758 22.0 188.952255 22.0 188.984573 21.0 189.940094 20.0 191.027985 23.0 192.986511 20.0 194.061768 22.0 196.890747 18.0 197.057648 22.0 198.99704 18.0 201.181366 18.0 201.95137 18.0 205.919327 19.0 207.088242 17.0 213.070755 18.0 213.981125 18.0 221.960648 42.0 229.052673 21.0 230.995468 18.0 233.055191 32.0 235.904602 20.0 235.922974 21.0 236.862061 23.0 241.005447 19.0 243.965881 18.0 249.012238 18.0 252.048309 20.0 253.082825 17.0 257.105621 50.0 259.957794 20.0 260.043579 20.0 260.980286 132.0 267.488983 28.0 270.894501 18.0 271.081146 18.0 274.888947 71.0 275.887085 20.0 276.745697 18.0 278.187622 24.0 279.907898 39.0 292.894196 35.0 293.18161 20.0 293.88147 41.0 297.89212 17.0 304.155518 18.0 304.966797 20.0 305.966522 17.0 309.146667 24.0 311.921051 18.0 313.05069 34.0 313.114105 4627.633789 313.975006 25.0 314.063568 18.0 314.11676 439.0 315.120667 200.0 315.178223 22.0 316.903503 38.0 317.138702 19.0 318.846313 17.0 347.927856 26.0 348.121155 24.0 348.201752 19.0 349.091339 2869.908203 350.095245 247.0 350.160034 23.0 350.966278 17.0 351.088745 1052.0 352.051208 20.0 352.083527 38.0 352.852783 20.0 355.581146 20.0 432.123077 17.0 507.166138 25.0 717.249512 17.0 731.473022 20.0 746.574097 17.0 867.836548 18.0 END IONS BEGIN IONS SCANS=292 PEPMASS=197.80745 CHARGE=-1 COLLISION_ENERGY=0.0 51.62468 29.0 51.937756 24.0 53.091198 20.0 53.414127 20.0 54.516865 28.0 55.638432 17.0 57.086468 22.0 57.168404 18.0 58.120853 17.0 65.787834 18.0 67.569328 17.0 69.156555 18.0 71.949265 18.0 73.030205 32.0 74.137276 33.0 74.950981 47.0 75.847435 17.0 76.913017 18.0 77.235596 23.0 78.962601 18.0 79.69619 18.0 86.692467 18.0 96.908981 17.0 97.932861 18.0 97.953941 18.0 100.044167 18.0 100.214302 31.0 104.211937 20.0 105.947426 20.0 109.510406 23.0 111.567833 22.0 115.087425 23.0 115.175842 18.0 117.538696 18.0 119.911293 18.0 122.67308 39.0 128.843994 24.0 129.03688 20.0 130.407761 23.0 139.37384 31.0 141.164185 18.0 144.987885 35.0 147.391556 34.0 155.706558 18.0 155.823425 20.0 156.236359 18.0 159.34935 18.0 159.380692 20.0 160.442169 17.0 160.477844 17.0 160.506561 25.0 160.842194 10081.444336 161.541138 20.0 161.843979 618.0 161.90419 22.0 162.374451 17.0 162.838974 35624.875 162.896606 90.0 162.971741 17.0 163.099976 20.0 163.38504 24.0 163.523422 18.0 163.554214 40.0 163.632782 18.0 163.668823 17.0 163.702942 18.0 163.771423 40.0 163.810669 20.0 163.839874 816.0 164.009064 18.0 164.040634 43.0 164.291229 29.0 164.835709 9957.615234 164.894211 20.0 165.10202 18.0 165.239716 19.0 165.837067 211.0 166.011398 18.0 166.643127 29.0 166.835861 344.0 166.866409 18.0 168.012344 17.0 169.620132 22.0 170.317581 18.0 171.585632 39.0 172.108215 19.0 172.354141 18.0 173.372818 24.0 173.692856 28.0 174.322067 24.0 175.490631 27.0 180.85788 18.0 183.562088 18.0 183.813705 22.0 185.109497 17.0 190.204651 18.0 191.417923 21.0 192.141907 18.0 194.867844 41.0 196.810104 110.0 196.933975 18.0 197.639648 18.0 197.807373 8536.0 198.809738 209.0 198.859543 20.0 199.024414 18.0 199.680191 18.0 199.804947 4609.0 200.101273 21.0 200.165726 25.0 200.33754 22.0 200.807526 23.0 201.003204 19.0 201.057678 21.0 201.804535 280.0 202.880264 19.0 204.154984 19.0 211.600998 24.0 212.600113 53.0 216.537582 24.0 227.887436 25.0 229.276825 28.0 239.779312 20.0 247.813675 19.0 264.19809 20.0 271.350983 27.0 279.079224 18.0 293.207764 20.0 293.919434 24.0 308.375214 22.0 315.472229 19.0 320.768555 27.0 332.293121 33.0 335.557892 18.0 337.857574 18.0 339.773926 25.0 346.921906 17.0 349.098938 24.000002 371.218781 18.0 377.083771 20.0 378.095276 23.0 379.083221 35.0 380.087219 22.0 391.146088 19.0 403.357086 18.0 454.202026 22.0 485.244965 18.0 513.779602 20.0 539.541077 22.0 572.866455 20.0 653.85199 18.0 696.240356 42.0 867.964661 20.0 926.599609 23.0 961.136719 17.0 991.405884 27.0 1006.309814 22.0 1059.540649 20.0 1123.491211 24.0 1125.004517 27.0 1142.686279 25.0 1168.595947 18.0 END IONS BEGIN IONS SCANS=293 PEPMASS=199.80439 CHARGE=-1 COLLISION_ENERGY=0.0 58.026737 19.0 62.989582 56.0 66.278625 22.0 69.949242 18.0 71.048241 18.0 72.045105 41.0 74.025131 23.0 79.956116 58.0 82.31974 23.0 93.029785 18.0 96.381737 20.0 99.026985 19.0 100.038719 171.0 101.043022 18.0 101.054283 36.475029 102.018318 20.0 109.025276 20.0 110.972702 25.0 111.078224 20.0 123.009354 28.0 123.793236 18.0 124.080124 20.0 126.055801 22.0 128.031876 18.0 136.897064 21.0 139.085907 17.0 139.118408 23.0 141.107071 37.0 142.011414 24.0 143.079895 18.0 145.01181 20.0 153.024643 30.0 155.283051 32.0 155.911484 22.0 155.941345 49.0 157.097885 18.0 158.027725 18.0 161.089264 18.0 161.669846 28.0 161.84317 121.0 162.413132 29.0 162.838745 5789.369629 163.082901 20.0 163.548401 20.0 163.840317 378.0 164.038879 566.0 164.692993 20.0 164.835434 7540.613281 164.871063 18.0 165.040955 37.0 165.12674 18.0 165.299637 18.0 165.541031 18.0 165.834396 173.0 166.036865 36.0 166.290314 17.0 166.618484 18.0 166.757904 18.0 166.83345 636.833801 167.093781 18.0 169.018097 82.0 177.012497 29.0 181.885162 18.0 185.092834 34.0 197.079025 18.0 198.804718 55.0 199.023468 58.0 199.174042 38.0 199.804047 1986.0 200.0047 63.999996 200.02977 19.0 200.0495 17.0 200.803726 55.0 200.98175 26.0 201.801804 478.0 202.643051 26.0 202.813934 18.0 203.100998 97.0 203.62674 19.0 236.766052 18.0 258.447113 19.0 279.877014 18.0 289.566193 18.0 290.623962 23.0 299.440338 20.0 328.834595 23.0 399.932281 29.0 504.651154 58.0 580.083679 20.0 613.547852 22.0 679.395142 18.0 END IONS BEGIN IONS SCANS=294 PEPMASS=255.82169 CHARGE=-1 COLLISION_ENERGY=0.0 68.222626 18.0 79.127472 22.0 86.423889 22.0 88.051186 17.0 91.915504 23.0 100.527603 18.0 102.95314 18.0 105.744324 21.0 111.080986 21.0 118.11068 28.0 118.895477 18.0 125.872643 21.0 133.918533 18.0 137.89772 27.0 140.898102 22.0 140.942139 20.0 141.86734 18.0 143.865295 18.0 145.910477 23.0 146.938599 27.0 147.893341 118.0 148.892487 22.0 154.016098 42.0 160.843658 17.0 164.872772 99.456276 165.352768 23.0 166.865891 1378.0 167.758514 18.0 167.867538 72.0 168.862762 385.0 170.868912 20.0 176.887207 19.0 177.914154 23.0 178.900757 19.0 180.854156 18.0 182.855789 20.0 182.88028 85.0 183.867661 292.0 184.877136 933.5672 185.873093 127.0 186.872849 194.0 188.871201 20.0 197.330536 19.0 199.838531 80.0 200.586868 27.0 200.816483 18.0 200.972946 17.0 201.834091 8273.989258 201.875015 18.0 202.042587 17.0 202.644043 20.0 202.835846 779.473694 203.081848 18.0 203.831375 5058.662109 203.888184 17.0 204.442688 18.0 204.560547 20.0 204.679596 20.0 204.830414 297.0 205.829102 359.0 206.009689 25.0 206.179138 18.0 207.543579 17.0 208.887283 18.0 210.124557 39.0 210.293991 18.0 210.881271 18.0 210.952209 18.0 211.14061 19.0 212.014343 18.0 216.113098 52.0 216.661758 22.0 216.861465 17.0 217.644577 22.0 217.854095 129.0 218.836151 25.0 219.462311 18.0 219.698166 18.0 219.844955 9332.282227 219.89183 20.0 219.943481 20.0 220.123581 21.0 220.845093 774.998291 221.842392 6300.131348 222.094604 18.0 222.55687 28.0 222.844254 426.0 223.83989 271.0 224.174759 19.0 226.595688 48.0 237.811722 17.0 238.833405 17.0 241.811234 33.0 255.231873 80.0 255.828278 76.0 256.983612 25.0 257.814117 28.289068 257.829376 70.016922 259.815826 18.0 283.688599 17.0 288.198029 20.0 304.998505 31.0 335.948517 19.0 339.460083 17.0 355.101288 18.0 421.558105 20.0 443.447968 20.0 521.878052 24.0 671.60614 18.0 812.250732 17.0 END IONS BEGIN IONS SCANS=295 PEPMASS=257.81861 CHARGE=-1 COLLISION_ENERGY=0.0 50.480118 18.0 50.987988 18.0 51.024391 17.0 51.039639 26.0 51.691463 20.0 51.785381 18.0 52.051941 24.0 52.733059 19.0 53.006676 18.0 59.006996 17.0 59.119785 18.0 60.011032 18.0 60.428726 20.0 62.658344 22.0 65.5466 18.0 70.458031 44.0 70.626328 21.0 72.064949 18.0 72.684174 18.0 75.152611 27.0 75.40686 30.0 76.142334 21.0 78.191589 18.0 79.389191 25.0 89.027237 20.0 90.671936 18.0 90.732338 20.0 92.638351 38.0 99.926743 19.0 100.460693 21.0 100.926285 20.0 101.746613 28.0 101.965134 20.0 102.534729 20.0 102.949364 18.0 103.007034 19.0 105.225739 22.0 105.771774 18.0 112.276871 20.0 113.032211 20.0 118.036072 17.0 119.665329 18.0 123.609291 21.0 123.98513 18.0 125.869461 35.0 126.121086 32.0 129.141479 19.0 135.374084 23.0 135.618729 18.0 138.843918 18.0 140.957291 23.0 141.873718 18.0 142.806152 17.0 142.871552 18.0 142.896774 18.0 143.896683 18.0 145.031891 20.0 146.451004 34.0 146.923386 18.0 146.963043 21.0 147.736801 20.0 147.888763 18.0 150.402985 18.0 152.917053 21.0 153.4758 18.0 154.74295 20.0 158.575989 18.0 160.151855 27.0 161.592194 22.0 162.840836 53.0 163.421036 17.0 163.605835 30.0 164.871155 20.0 164.941254 21.0 166.864136 733.0 166.968643 21.0 167.866333 139.0 168.862656 571.0 170.867172 19.0 172.27565 18.0 174.746033 36.0 178.826248 26.0 182.945206 27.0 183.868103 178.0 184.873337 317.0 185.872955 105.0 186.872269 310.0 187.872803 41.0 192.186996 21.0 195.096481 18.0 199.001251 19.0 201.834503 1681.0 201.869675 18.0 201.932327 21.0 202.590988 20.0 202.837082 421.512695 202.916595 20.0 203.831711 5419.337402 203.927048 18.0 204.549911 20.0 204.607529 18.0 204.829071 293.495453 204.881973 18.0 205.830597 596.0 206.826065 38.0 207.972733 18.0 210.950043 65.0 210.989258 18.0 211.952148 18.0 214.895706 17.0 216.681671 20.0 218.646683 20.0 218.755417 18.0 219.845367 1970.121948 220.847519 440.0 221.45694 18.0 221.841919 5965.0 222.842545 537.523743 223.839767 1082.955811 224.833069 38.0 225.036652 18.0 225.848755 18.0 226.261673 17.0 227.950439 44.0 230.509583 18.0 238.583527 22.0 239.067657 22.0 239.80127 20.0 240.86998 20.0 242.073822 20.0 243.876221 36.0 249.494583 25.0 252.977707 21.0 255.325119 22.0 256.825958 17.0 257.627594 19.0 257.819702 172.0 258.821136 37.0 259.817444 141.0 262.361816 25.0 303.051086 18.0 305.004333 18.0 305.052551 18.0 305.688782 17.0 309.839142 23.0 334.667938 18.0 357.993164 18.0 377.082947 17.0 386.99826 17.0 393.700134 18.0 394.409027 22.0 397.923248 22.0 398.106567 20.0 418.228943 17.0 452.02121 20.0 466.905487 18.0 480.929962 17.0 494.662781 18.0 675.928467 18.0 999.053406 18.0 1022.583923 17.0 1027.635132 51.0 1069.131958 35.0 1134.874146 18.0 1170.425293 46.0 1183.268677 18.0 END IONS BEGIN IONS SCANS=296 PEPMASS=281.08741 CHARGE=0 COLLISION_ENERGY=0.0 51.936367 52.0 52.209049 25.0 52.589649 18.0 53.386482 30.0 54.082748 18.0 55.084553 20.0 55.486267 42.648289 55.493721 18.518053 57.032993 38.0 57.494202 34.0 57.761078 19.0 58.05706 20.0 59.011635 118.0 61.863468 19.0 61.987858 18.0 64.355568 19.0 66.419449 21.0 67.01783 31.0 68.35038 23.0 68.524887 22.0 68.999687 18.0 70.440056 18.0 70.464317 17.0 70.604622 27.0 71.012085 727.512512 71.624672 21.0 72.016342 18.0 72.6381 17.0 74.367661 21.0 76.001587 21.0 77.023582 19.0 80.424461 17.0 80.792747 24.0 82.076729 43.0 82.401863 26.0 82.908371 18.0 83.013779 36.0 84.022186 22.0 84.072014 18.0 85.02919 1156.0 85.184555 17.0 85.741829 18.0 85.945618 27.0 86.032516 20.0 86.417084 21.0 86.926353 20.0 87.007538 430.637939 88.012787 20.0 88.049675 18.0 88.307518 20.0 88.376968 18.0 88.415215 17.0 88.890717 20.0 89.02182 20.0 91.039841 41.0 91.232857 26.0 91.818726 22.0 91.845711 18.0 92.292381 18.0 92.403702 20.0 95.011917 43.0 97.12709 19.0 99.043274 45.0 99.088348 26.0 99.857376 18.0 100.013168 18.0 100.061623 20.0 101.025269 18.0 102.560226 20.0 103.001129 61.0 103.04335 76.0 103.626465 25.0 103.985748 27.0 104.88253 20.0 105.326859 18.0 106.09845 23.0 107.880348 25.0 107.942261 20.0 108.570717 18.0 109.079506 20.0 110.34893 18.0 111.007317 65.0 111.916702 18.0 112.020309 94.0 113.023834 2702.683838 113.056267 23.0 114.027367 164.0 114.182991 19.0 114.447563 18.0 114.931664 21.0 114.99424 18.0 115.030647 69.0 115.893593 18.0 116.931595 22.0 119.022041 19.0 119.705986 19.0 119.782822 22.0 119.972702 18.0 120.504692 17.0 120.533897 20.0 120.835175 18.0 120.899933 18.0 121.024887 18.0 122.814003 35.0 123.040466 19.0 125.33828 18.0 126.185188 17.0 126.464012 18.0 127.040047 57.0 129.018311 255.0 129.666504 20.0 130.018799 52.0 130.977921 20.0 131.031723 93.0 132.998672 18.0 133.771973 20.0 135.438583 18.0 135.691025 23.0 137.924789 20.0 139.00499 105.0 141.053314 17.0 141.095764 22.0 143.039948 20.0 143.080856 18.0 144.035355 20.0 145.049088 22.0 147.764954 23.0 148.004089 18.0 148.449585 29.0 148.77002 33.0 149.058624 18.0 149.620102 18.0 150.375763 17.0 152.472733 27.0 154.015594 33.0 154.079132 18.0 155.125534 18.0 155.354156 26.0 157.01355 76.0 157.216446 36.0 157.894928 20.0 158.017487 18.0 159.185715 18.0 161.042267 20.0 163.009369 24.0 163.056915 17.0 168.199188 17.0 169.014801 54.0 169.464508 20.0 170.393509 25.0 171.002365 44.0 171.682114 20.0 172.079132 21.0 173.008713 26.0 174.754227 27.0 176.773239 22.0 177.046051 38.0 178.045883 17.0 178.084915 18.0 179.059219 20.0 179.23642 23.0 180.856995 19.0 181.193756 18.0 183.172043 18.0 186.07785 64.0 187.059677 38.0 189.074097 20.0 191.023315 25.0 192.024429 20.0 193.994934 27.0 194.62114 43.0 194.964249 25.0 195.120834 39.0 197.029953 17.0 202.806458 18.0 205.071075 393.0 206.070709 34.0 206.93335 20.0 206.961868 22.0 207.075073 48.0 209.077835 57.0 209.53801 24.0 211.211761 21.0 215.552917 19.0 221.866684 19.0 224.340805 18.0 227.062103 22.0 227.315567 18.0 237.098358 20.0 237.149841 26.0 237.459061 24.0 239.189865 18.0 244.978897 24.0 245.761658 20.0 247.934555 19.0 249.061768 120.0 250.044586 17.0 250.065811 39.0 251.079498 18.0 255.786331 24.0 262.264099 28.0 262.361786 21.0 265.803284 22.0 265.963715 26.0 275.027649 17.0 278.552765 24.0 279.380005 18.0 279.414001 29.0 280.194794 24.0 281.086121 1824.033447 281.175415 18.0 281.230286 18.0 281.635498 19.0 282.091705 237.0 282.947998 44.0 283.093842 20.0 283.262024 30.999998 283.950226 21.0 298.846893 30.0 304.600372 17.0 307.479248 20.0 309.166107 27.0 331.734253 17.0 331.807709 22.0 335.356995 18.0 343.057159 20.0 347.078491 21.0 354.127594 20.0 354.217834 19.0 359.507812 18.0 365.82016 23.0 371.192719 20.0 377.080475 88.0 378.083649 37.0 379.081024 21.0 381.230225 20.0 393.707733 23.0 404.098358 44.0 405.02655 24.0 415.375732 22.0 436.200897 28.0 437.287628 18.0 444.025726 18.0 451.099976 20.0 486.06662 36.0 489.092651 31.0 490.707001 26.0 497.752716 18.0 531.880554 23.0 533.139404 37.0 534.132874 18.0 542.023193 18.0 562.9646 18.0 567.303345 20.0 617.156128 19.0 617.924133 38.0 628.042847 18.0 628.116516 17.0 664.826599 18.0 666.070068 20.0 670.293335 18.0 699.706055 23.0 716.214539 20.0 717.6828 20.0 740.788757 18.0 750.230652 17.0 793.458435 20.0 803.40918 20.0 838.964966 21.0 876.17749 18.0 877.247009 18.0 883.116821 18.0 970.050659 17.0 976.169067 33.0 980.943298 18.0 1004.223694 18.0 1028.911255 29.0 1030.044678 20.0 1030.134521 18.0 1035.033203 32.0 1048.932861 22.0 1076.198853 18.0 1092.447632 19.0 1102.529663 24.0 1126.507935 38.0 1130.22229 17.0 1136.66626 18.0 1149.093872 24.0 1155.599854 21.0 1172.146851 25.0 1177.216919 23.0 1183.235718 24.0 END IONS BEGIN IONS SCANS=297 PEPMASS=567.13242 CHARGE=-1 COLLISION_ENERGY=0.0 54.901028 18.0 57.463539 28.0 59.012955 37.0 71.010132 63.0 81.034401 35.0 83.017532 21.0 87.009865 18.0 87.046822 23.0 89.025368 182.0 94.901405 28.0 97.028862 77.0 97.650238 18.0 99.227211 17.0 101.025742 348.006897 102.025887 26.0 103.016838 18.0 104.05011 48.0 104.95034 20.0 111.302414 20.0 112.989487 17.0 113.025375 80.0 115.039474 62.0 117.017593 37.0 117.078514 20.0 119.033173 107.0 119.949562 19.0 120.039528 18.0 121.038513 17.0 125.021164 38.0 128.910339 22.0 129.018127 89.0 131.034012 38.0 133.022171 17.0 135.029495 18.0 136.893417 22.0 141.012115 35.0 141.774887 18.0 143.035599 352.0 144.03569 18.0 145.346329 17.0 161.04454 432.0 162.047531 17.0 163.374359 18.0 164.897919 20.0 166.052261 22.0 172.94397 31.0 177.042068 50.0 179.055847 756.386169 180.061401 19.0 181.063202 24.0 189.039658 311.0 195.007004 20.0 207.051239 89.0 220.198853 18.0 221.065628 418.498749 221.988068 17.0 222.066635 36.0 223.89859 20.0 224.827713 32.0 236.381378 17.0 239.91983 21.0 245.068878 22.0 253.848877 18.0 263.071869 52.0 267.963348 17.0 279.066406 28.0 281.087311 88.0 282.095703 57.0 282.80661 17.0 285.905426 23.0 289.666565 58.0 309.079498 19.0 312.084442 22.0 316.8255 17.0 323.105438 44.0 323.977631 25.0 325.955719 18.0 333.739197 45.0 341.112366 204.0 341.25238 18.0 343.130249 19.0 343.885803 28.0 344.976349 25.0 347.102814 18.0 348.864471 23.0 352.09967 20.0 369.102936 73.0 381.636292 24.0 383.120544 749.0 384.120117 94.0 385.121429 18.0 387.113495 44.0 392.458466 18.0 394.808838 18.0 405.14444 22.0 407.113251 68.838181 410.545593 36.0 411.117737 184.0 412.122345 32.0 413.119812 20.0 420.146362 28.0 421.172363 28.999998 422.875793 20.0 422.986725 19.0 425.115723 22.0 430.953583 17.0 432.0 53.0 451.848175 25.0 453.127991 130.007996 454.122467 18.0 467.956329 40.0 471.137787 187.0 472.149384 18.0 479.24411 18.0 485.177032 34.0 486.135437 31.0 493.819702 20.0 503.171875 162.846832 504.160645 49.845413 522.248108 20.0 524.384399 20.0 531.14032 32.0 532.153503 19.0 533.317627 36.0 545.559143 18.0 560.685852 18.0 566.978699 18.0 567.132202 885.959106 568.139404 105.0 569.13855 363.0 570.137207 18.0 591.257385 17.0 598.121521 20.0 962.792297 18.0 END IONS BEGIN IONS SCANS=298 PEPMASS=377.08542 CHARGE=-1 COLLISION_ENERGY=0.0 50.33968 18.0 50.799633 30.0 51.622776 25.0 52.875526 20.0 53.999557 18.0 55.015911 42.0 55.148182 20.0 56.557262 18.0 59.012943 1729.0 59.417439 18.0 60.015896 37.0 61.082966 30.0 61.982784 69.0 63.870991 25.0 65.136658 20.0 69.031723 25.0 69.994148 18.0 70.95887 17.0 71.013252 2253.44873 71.04837 20.0 71.085655 39.0 71.303429 17.0 72.015907 144.0 72.168198 17.0 72.990791 18.0 73.028885 285.0 74.03437 41.000004 75.394363 26.0 75.632278 18.0 75.641205 20.0 77.404099 22.0 78.007027 25.0 78.956802 20.0 79.019402 65.0 80.189087 37.0 80.598671 17.0 81.033371 60.0 81.919052 48.0 82.183411 17.0 82.724327 18.0 83.015358 287.0 84.022156 46.0 84.396957 18.0 85.028427 267.0 86.977798 26.0 87.007042 101.0 87.040741 63.0 87.970047 20.0 88.011894 17.0 88.825333 18.0 88.980537 18.0 89.024193 6851.674316 89.091904 20.0 89.22142 17.0 89.318481 19.0 89.394501 27.0 89.651459 32.0 89.699226 18.0 89.74762 19.0 90.027443 230.0 90.051056 24.0 90.298653 23.0 90.327484 38.0 90.433296 19.0 91.031418 45.0 91.442978 19.0 91.748756 18.0 92.303551 21.0 94.757103 23.0 95.014275 122.0 95.221413 31.0 95.458786 46.0 95.663498 18.0 96.016907 42.0 97.028198 351.0 98.031342 61.0 98.202301 18.0 98.432686 24.0 98.789116 48.0 99.041809 39.0 100.823387 27.0 101.024323 6197.0 101.065735 23.0 101.157997 17.0 101.604202 28.0 101.743042 17.0 101.983841 18.0 102.026871 258.0 102.593956 17.0 103.003166 18.0 103.025856 54.0 103.106972 18.0 104.086128 17.0 104.276093 30.0 104.322411 18.0 105.330772 18.0 105.692131 25.0 106.444824 20.0 106.777245 18.0 107.032059 18.0 110.881859 29.0 111.009132 22.0 111.907059 23.0 112.507011 17.0 113.02388 3250.525879 113.15799 20.0 114.027397 196.0 114.950172 87.0 115.041008 313.0 116.274078 18.0 117.018059 23.0 117.932686 20.0 118.42337 21.0 118.56678 18.0 119.034332 4140.0 119.743095 32.0 120.037033 240.0 120.336639 20.0 121.036819 55.0 121.479332 23.0 122.202454 21.0 123.455513 28.0 123.623299 25.0 125.024757 355.0 126.022476 19.0 128.799316 20.0 131.034012 716.0 131.676239 18.0 132.038666 20.0 132.56279 18.0 133.014145 20.0 133.034332 17.0 134.240112 18.0 134.566483 21.0 135.049942 18.0 137.023239 19.0 137.782074 17.0 139.042938 20.0 141.935089 18.0 141.95784 20.0 142.996353 35.0 143.034088 1467.0 143.062546 19.0 144.036224 138.0 144.960159 17.0 144.995224 18.0 146.954773 20.0 147.02951 18.0 149.044464 798.22644 150.052444 26.0 151.044083 20.0 152.05365 18.0 152.070786 18.0 152.372742 23.0 153.557022 33.0 153.700989 17.0 154.07019 18.0 154.996323 25.0 155.032837 18.0 155.813904 18.0 156.86441 19.0 157.932144 19.0 158.947311 65.0 159.033539 20.0 159.511642 17.0 159.776398 28.0 159.83963 30.0 159.94545 18.0 160.806442 20.0 160.870438 17.0 160.953476 18.0 161.044861 4747.40918 161.778275 17.0 162.049423 335.39679 162.49884 21.0 162.766785 20.0 163.046783 37.0 164.377151 18.0 165.139191 18.0 165.90744 18.0 166.511093 21.0 167.030991 18.0 167.574356 30.0 167.925537 17.0 170.9776 23.0 173.352203 40.0 175.294983 17.0 176.486786 42.0 176.515732 18.0 178.845505 24.0 178.981857 17.0 179.028473 47.666 179.05571 15168.704102 179.119232 69.0 179.337067 20.0 179.413605 22.0 179.528625 20.0 179.843521 20.0 180.058487 1106.0 180.223465 54.0 180.583313 19.0 180.958878 18.0 181.059998 244.0 181.434784 21.0 182.066193 35.0 182.130508 18.0 185.045898 18.0 189.430603 40.0 189.474396 17.0 189.923294 22.0 189.95433 17.0 190.880417 27.0 191.024841 20.0 193.543289 24.0 194.37262 18.0 199.963867 20.0 200.052856 22.0 201.435516 20.0 201.657974 20.0 202.609756 22.0 202.92836 46.0 203.358353 18.0 204.351334 25.0 206.088852 22.0 210.91246 25.0 211.57785 18.0 215.028809 18.0 219.358276 30.0 219.710007 22.0 220.025055 29.0 220.147934 18.0 220.817642 20.0 220.917358 18.0 221.066299 2880.0 221.442947 21.0 222.07135 335.0 223.040741 18.0 223.078445 18.0 223.101105 52.0 223.883118 18.0 224.835022 38.0 227.099686 24.0 227.299454 18.0 231.067566 18.0 233.067093 115.0 234.353271 18.0 234.574249 22.0 235.056335 38.0 243.264008 22.0 245.078201 51.0 245.190033 18.0 250.884918 18.0 251.078873 514.0 256.104675 17.0 257.574738 18.0 261.968506 27.0 263.016205 20.0 263.081604 139.0 263.14563 18.0 264.07254 20.0 264.32428 31.0 269.071381 19.0 271.315887 23.0 277.895782 20.0 281.089966 147.0 282.084778 19.0 283.083008 18.0 291.840942 18.0 292.677307 33.0 293.081207 20.0 295.956879 17.0 298.039764 22.0 301.932129 18.0 304.336945 20.0 305.086578 24.0 309.139679 21.0 309.842865 18.0 311.100433 106.0 311.165955 18.0 319.106628 29.0 319.185822 17.0 323.097107 62.0 324.106537 28.0 324.711029 27.0 325.100037 19.0 329.177185 18.0 329.99704 20.0 330.022339 22.0 331.017212 22.0 335.290497 41.0 335.973969 17.0 341.108093 964.0 342.116913 69.0 342.698425 26.0 342.907471 19.0 343.122437 37.0 345.559418 28.0 345.870239 20.0 346.856262 17.0 350.484985 90.0 367.746643 32.0 372.238464 20.0 375.919342 18.0 376.23999 18.0 377.08493 3608.279541 378.087128 311.0 379.034576 17.0 379.083008 1162.0 380.089325 221.0 380.616364 20.0 381.093689 20.0 389.246124 22.0 399.249115 21.0 414.080292 26.0 416.653229 26.0 424.241211 18.0 431.700897 18.0 447.933624 50.0 458.794861 17.0 493.863831 22.0 495.939178 25.0 502.223206 49.0 506.476288 17.0 512.371521 25.0 520.03418 21.0 535.027954 18.0 549.137695 18.0 561.556519 18.0 569.123352 18.0 574.903381 22.0 619.874146 28.0 620.801392 18.0 643.573059 18.0 650.007812 33.0 670.891296 17.0 694.022766 19.0 711.206848 18.0 731.173523 18.0 780.075378 18.0 788.715515 17.0 793.513062 18.0 809.410583 20.0 818.995178 33.0 824.774658 18.0 831.924377 50.0 836.098389 18.0 860.435974 30.0 882.968445 26.0 884.086426 21.0 901.063904 20.0 933.884277 17.0 964.539917 18.0 967.182556 17.0 972.070862 21.0 981.05896 19.0 987.128845 18.0 990.933289 17.0 1012.896667 41.0 1040.92334 18.0 1043.054932 20.0 1069.001465 31.0 1089.907227 52.0 1093.196411 18.0 1106.200684 18.0 1121.579712 18.0 1122.552734 18.0 1124.534668 18.0 1126.344482 18.0 1129.136719 17.0 1134.147461 22.0 1136.710327 28.0 1146.223755 17.0 1168.21167 25.0 1176.740356 23.0 1192.989502 18.0 1194.181885 18.0 END IONS BEGIN IONS SCANS=299 PEPMASS=127.05074 CHARGE=0 COLLISION_ENERGY=0.0 50.105625 30.0 50.188183 27.0 50.518753 18.0 50.56213 23.0 51.012314 18.0 51.056976 54.0 52.848972 18.0 53.153248 32.0 56.946693 20.0 57.944637 18.0 59.142002 22.0 59.79734 25.0 59.953274 20.0 60.731987 25.0 61.075245 20.0 61.399662 20.0 63.084793 22.0 64.379044 32.0 66.430504 22.0 66.510986 25.0 66.64624 33.0 66.991333 21.0 67.077988 23.0 69.023788 18.0 69.839043 18.0 70.641151 23.0 72.446899 30.0 73.040627 37.0 73.926292 44.0 74.859177 21.0 77.279556 27.000002 78.612991 51.0 78.793114 21.0 78.954338 18.0 80.646912 22.0 80.685265 20.0 81.539536 21.0 81.607712 18.0 81.733284 33.0 82.617332 26.0 83.255219 22.0 84.045715 32.0 84.713615 19.0 85.026527 34.0 85.757034 29.0 85.969872 26.0 86.59375 17.0 88.055016 18.0 88.895355 19.0 89.124023 36.0 89.450554 17.0 89.890587 23.0 90.779701 18.0 92.57206 20.0 92.82872 19.0 96.747948 21.0 98.544716 21.0 101.237244 18.0 101.585464 18.0 102.771469 17.0 103.563499 20.0 108.032333 18.0 108.198158 22.0 108.461632 26.0 109.039604 79.0 109.236977 29.0 110.041367 19.0 111.169487 22.0 112.079201 20.0 112.599762 47.0 112.719368 17.0 113.019463 18.0 117.312012 18.0 118.748032 18.0 119.625832 22.0 120.366493 22.0 120.510773 18.0 122.135506 18.0 123.517296 23.0 125.686348 20.0 127.015862 22.0 127.049683 208.0 128.035355 73.998611 128.05484 58.381435 129.02092 92.0 132.644058 21.0 134.964127 18.0 135.401062 18.0 138.495453 37.0 138.671585 19.0 140.272644 27.0 140.687027 20.0 141.016861 20.0 145.057739 90.0 148.816254 19.0 156.7229 18.0 161.045395 18.0 161.698807 22.0 161.790787 28.0 162.915558 19.0 168.948807 18.0 176.376755 19.0 178.374222 20.0 179.060562 51.0 180.221832 17.0 183.979309 17.0 184.218597 20.0 186.863785 18.0 191.020111 82.0 192.9375 25.0 193.326569 19.0 199.81842 31.0 203.430023 17.0 203.502701 22.0 204.322372 20.0 204.885498 26.0 204.984421 24.0 210.663788 25.0 218.155411 22.0 219.758759 18.0 221.060257 23.0 223.452499 17.0 224.968155 20.0 225.482941 17.0 226.987152 21.0 232.085632 22.0 233.802048 24.0 242.082977 20.0 245.993546 18.0 263.04895 25.0 270.322845 30.0 274.850006 18.0 275.996521 20.0 282.565704 22.0 288.55484 20.0 298.260864 25.0 301.239075 20.0 312.135773 19.0 314.11972 20.0 317.903778 18.0 323.097534 20.0 327.983002 18.0 328.495026 19.0 330.086975 24.0 336.434021 22.0 340.061218 35.0 341.106384 18.0 345.050262 18.0 363.995178 19.0 365.271179 23.0 374.334717 22.0 377.085968 22.0 378.819977 22.0 379.082642 62.0 382.047089 20.0 384.203522 41.0 387.114441 27.0 404.10498 20.0 411.15036 28.0 419.183167 18.0 423.62265 33.0 435.074799 17.0 443.08432 19.0 473.065979 20.0 475.143677 20.0 481.163239 58.0 487.177612 21.0 488.177399 18.0 489.189117 20.0 516.221008 18.0 543.794312 24.0 550.192444 17.0 560.543945 18.0 561.10321 22.0 596.561646 18.0 607.24823 21.0 665.172852 17.0 729.266479 19.0 783.237366 30.0 814.066895 19.0 817.292114 17.0 833.123657 18.0 840.263916 18.0 870.934692 26.0 979.688904 26.000002 988.209412 18.0 1007.306641 17.0 1015.017883 20.0 1092.262695 23.0 1103.09082 22.0 1125.626099 18.0 1129.050537 20.0 1149.24585 24.0 1182.399658 19.0 1182.867676 20.0 1183.272217 18.0 1184.862915 18.0 1195.368042 20.0 1198.253418 18.0 END IONS BEGIN IONS SCANS=300 PEPMASS=145.06138 CHARGE=-1 COLLISION_ENERGY=0.0 50.715103 18.0 51.625534 18.0 53.788197 20.0 55.618717 18.0 56.051449 22.0 56.954487 24.0 58.029564 170.0 58.824745 18.0 59.154629 18.0 59.96286 27.0 65.040695 19.0 65.331131 19.0 65.390945 25.0 66.400742 34.0 67.026245 57.0 67.346031 18.0 68.282829 19.0 70.028328 70.0 70.047218 20.0 70.677704 39.0 72.044472 51.0 72.322746 20.0 72.584679 17.0 73.025703 19.0 74.024376 1206.0 74.392815 19.0 75.003075 21.0 75.022079 156.724716 75.556602 22.0 78.19416 22.0 79.276573 18.0 81.848404 20.0 82.029823 394.0 83.03212 18.0 83.228699 18.0 83.937233 28.0 84.045189 1340.0 85.029701 250.084869 85.048721 61.566967 85.581261 23.0 86.0243 419.0 86.043129 20.0 86.163147 18.0 86.616592 19.0 87.027504 23.0 88.023529 20.0 90.029808 18.0 92.672844 36.0 93.045723 17.0 93.910469 18.0 96.066933 18.0 96.273865 28.0 96.283531 18.0 96.506882 19.0 97.039719 36.0 97.704025 17.0 99.018852 43.0 99.055725 324.0 99.544922 18.0 100.039124 26.0 100.243973 19.0 100.798157 19.0 100.932106 97.0 101.024704 328.0 101.072151 707.0 101.103485 18.0 102.052612 37.0 102.073326 94.0 102.738838 22.0 102.923958 18.0 103.038322 187.0 103.059334 20.0 107.019051 38.0 108.031624 18.0 108.664452 17.0 109.040398 3771.130859 109.068611 20.0 109.468842 38.0 110.021187 18.0 110.044304 292.0 110.714661 19.0 111.337708 20.0 111.672287 17.0 112.579109 18.0 113.429146 27.0 115.448227 20.0 116.253326 21.0 116.802193 22.0 119.544487 23.0 126.752144 19.0 126.998627 18.0 127.050751 8016.0 127.481277 19.0 127.784203 36.0 128.034912 2657.490479 128.052719 531.115967 128.441818 17.0 128.617096 29.0 128.801193 17.0 128.984985 22.0 129.018951 807.484619 129.038193 202.391098 129.426132 18.0 129.551422 18.0 130.023376 69.0 130.042267 35.0 130.557968 19.0 131.996964 17.0 132.158676 20.0 139.698273 22.0 140.52951 20.0 142.99585 26.0 143.901382 28.0 143.943344 29.0 144.053741 18.0 144.363495 31.0 144.960327 17.0 145.01532 87.0 145.061447 8187.166016 145.116821 38.0 145.89006 35.0 146.064407 675.0 147.031174 364.354462 147.065659 97.0 148.345413 19.0 149.197647 20.0 149.572098 18.0 152.270096 18.0 153.403748 23.0 155.659851 21.0 159.284515 30.0 167.793335 23.0 175.560776 29.0 178.415009 25.0 187.089462 18.0 191.609436 20.0 193.836182 17.0 198.347122 34.0 199.636688 18.0 200.891495 18.0 206.850311 35.0 221.449829 20.0 224.810944 18.0 225.555771 24.0 228.147614 24.0 228.347458 19.0 231.048019 25.0 236.121994 23.0 245.071426 18.0 251.084915 18.0 259.476105 22.0 261.463318 25.0 261.909393 18.0 273.580475 22.0 295.620087 20.0 299.885406 18.0 308.900177 32.0 313.114014 37.0 313.758972 20.0 315.842682 24.0 318.526093 22.0 319.531677 20.0 324.592804 17.0 324.788239 19.0 327.455658 20.0 352.825256 18.0 364.696136 75.0 387.491394 23.0 402.898132 18.0 426.993805 20.0 430.114166 21.0 431.073975 18.0 435.448822 22.0 441.227631 18.0 448.962921 17.0 450.911865 17.0 466.81424 23.0 487.173035 35.0 494.401917 21.0 596.201599 18.0 612.489258 36.0 677.230042 35.0 754.31897 18.0 863.940918 25.999998 930.161926 18.0 985.33374 22.0 1016.503052 26.0 1020.575989 20.0 1057.292725 56.0 1068.183716 26.0 1130.584351 18.0 1146.104614 18.0 1162.301147 25.0 1182.668335 20.0 1197.368896 23.0 END IONS BEGIN IONS SCANS=301 PEPMASS=313.11249 CHARGE=0 COLLISION_ENERGY=0.0 55.660759 37.0 67.030426 23.0 73.02832 18.0 74.021637 43.0 84.04483 153.0 85.037262 51.0 86.024727 30.0 101.026512 18.0 101.072433 142.0 109.0401 616.0 110.044395 61.0 112.699638 20.0 125.730988 17.0 127.05127 2799.0 127.219978 24.0 128.035568 539.557861 128.053299 88.835617 129.01825 21.0 129.041748 69.0 129.056686 17.0 129.095078 18.0 130.036545 20.0 138.075623 17.0 140.902161 18.0 142.900696 66.0 142.993698 22.0 143.899765 39.046436 143.9133 16.953566 145.010254 18.0 145.061676 10655.313477 145.478058 19.0 145.708313 18.0 145.73288 21.0 146.041901 41.379814 146.064484 647.916626 146.35202 18.0 147.020126 25.0 147.067154 92.0 149.032135 17.0 150.972717 50.0 155.913589 62.0 156.891891 83.0 157.909454 36.0 158.896469 18.0 158.909134 18.0 159.894302 35.0 159.912704 79.0 160.887436 45.0 162.025192 20.0 162.622452 27.0 167.001328 77.0 167.046127 117.0 167.085098 20.0 168.99054 27.0 182.946579 25.0 183.016449 21.0 197.600723 18.0 205.089691 20.0 207.947876 18.0 222.953278 40.0 224.95369 18.0 226.954788 38.0 229.167007 18.0 238.946198 18.0 240.947449 18.0 241.938354 38.0 251.936722 33.0 255.016998 33.0 255.452271 20.0 266.139526 19.0 269.931976 17.0 270.930023 41.0 271.024841 18.0 275.88678 25.0 295.095032 18.0 312.17453 17.0 313.112396 713.0 313.170563 19.0 314.15567 17.0 315.952911 20.0 320.794556 26.0 338.970306 18.0 421.99942 20.0 439.203644 18.0 449.588257 19.0 END IONS BEGIN IONS SCANS=302 PEPMASS=487.17755 CHARGE=-1 COLLISION_ENERGY=0.0 50.195454 29.0 51.069893 26.0 51.696838 20.0 53.481403 18.0 53.851044 34.0 55.017029 18.0 56.993767 21.0 57.029552 18.0 59.013901 1321.0 60.014725 54.0 60.455223 18.0 61.23914 18.0 61.473568 21.0 61.914158 41.0 63.889191 20.0 65.419136 24.0 67.02935 53.0 68.366074 18.0 69.036407 35.0 69.973824 22.0 71.013069 1947.0 71.049515 20.0 71.651665 17.0 71.716141 20.0 72.015221 142.0 72.395241 19.0 72.994461 26.0 73.028679 1889.819824 73.957077 20.0 74.024124 197.960449 74.031685 122.358315 74.222 21.0 74.861366 18.0 75.011169 48.0 75.034904 29.0 75.334587 22.0 75.569077 20.0 75.889687 27.0 77.521713 20.0 78.211418 27.0 79.011833 18.0 80.363251 24.0 81.035088 330.0 82.029488 115.0 82.121544 20.0 83.01149 307.790009 83.058937 20.0 83.860107 18.0 84.015518 36.0 84.044098 324.0 84.182953 29.0 85.013908 24.152105 85.029091 271.0 85.047813 19.0 85.311958 19.0 86.025429 105.0 87.010239 211.0 87.03019 24.0 87.043098 41.0 87.797241 25.0 87.958344 37.0 88.645462 20.0 89.023911 4352.0 89.451477 35.0 90.026146 126.0 90.534782 18.0 90.647133 23.0 91.02282 18.0 91.031158 28.0 93.796112 24.0 94.053673 45.0 94.232338 18.0 94.490387 18.0 95.013603 120.0 95.184181 35.0 97.028885 2144.0 98.033455 142.0 98.242485 20.0 98.719269 17.0 99.009666 36.0 99.040039 170.240204 99.054962 36.7598 100.722908 21.0 101.023933 8328.0 101.072052 513.0 101.165543 35.0 101.441742 29.0 101.482452 18.0 101.542282 20.0 101.679947 25.0 102.027199 353.0 102.075562 36.0 102.188454 19.0 102.529549 24.0 102.810226 33.0 103.025772 21.0 103.040001 41.0 103.817978 18.0 106.415512 19.0 107.03186 40.0 109.040382 2321.689697 109.536194 17.0 110.040642 135.0 110.640022 27.0 112.981934 44.0 113.0242 2484.0 113.27655 18.0 113.438499 22.0 114.016754 21.0 114.029633 62.0 114.316757 18.0 114.513893 23.0 115.038712 752.795044 116.041367 37.0 118.599144 20.0 118.962265 31.0 119.035065 2778.743408 119.357788 20.0 119.473923 18.0 119.710655 22.0 120.037971 115.0 122.242386 18.0 123.744804 23.0 125.02433 532.0 126.025864 22.0 127.050705 12115.663086 127.076729 18.0 127.362701 21.0 127.452614 20.0 127.697868 18.0 128.006989 20.0 128.035263 2602.362549 128.054153 684.847107 128.28595 23.0 128.404648 18.0 128.457855 17.0 128.752777 17.0 129.01918 397.141083 129.039597 177.0 129.057449 175.366791 129.253815 18.0 129.441284 20.0 129.548218 38.0 129.694397 18.0 129.934204 17.0 130.023621 105.0 130.04361 21.0 130.802124 20.0 131.034683 733.638611 131.07251 20.0 131.693542 18.0 133.048248 74.0 137.02272 20.0 137.142868 25.0 138.05249 20.0 138.668503 24.0 138.9375 20.0 142.596497 17.0 142.883987 22.0 142.914719 18.0 142.937134 55.0 142.972778 18.0 143.034134 3294.150391 143.09761 19.0 143.11525 18.0 143.471756 20.0 143.560471 22.0 143.631042 18.0 143.725342 18.0 143.775055 19.0 143.974182 19.0 144.039856 225.0 144.41066 24.0 144.68895 19.0 144.746201 18.0 144.882233 35.0 144.913651 27.0 144.931152 45.0 145.013412 1121.562378 145.061401 112381.765625 145.115982 5238.0 145.172119 26.0 145.19545 34.0 145.234634 41.0 145.259003 18.0 145.277298 18.0 145.342407 41.0 145.401367 23.0 145.484268 18.0 145.523499 18.0 145.554947 37.0 145.620041 42.0 145.679688 18.0 145.72345 23.0 145.764404 41.0 145.842484 107.472427 145.955353 38.0 146.020126 57.66909 146.064499 8386.367188 146.095749 23.0 146.156006 18.0 146.205978 18.0 146.35704 18.0 146.514236 45.0 146.573318 18.0 146.806595 18.0 146.87355 21.0 147.029236 1422.0 147.065033 1028.0 147.161957 22.0 147.183167 25.504169 147.228256 17.0 147.279633 20.0 147.373749 27.0 147.544708 17.0 147.617447 18.0 147.755371 18.0 147.936813 18.0 148.03096 90.0 148.059128 74.0 148.172485 40.0 148.394424 24.0 148.452316 22.0 148.664627 18.0 148.727097 17.0 148.845047 18.0 148.933395 17.0 149.043961 811.973206 149.142593 18.0 149.235092 18.0 149.320297 18.0 149.526825 23.0 150.037643 20.0 150.058716 45.0 150.206451 18.0 151.176041 24.0 151.645706 18.0 151.821625 24.0 151.964676 17.0 152.603195 22.0 152.738403 20.0 153.729187 20.0 154.01329 18.0 155.033279 59.0 155.49263 21.0 156.017654 23.0 158.439606 18.0 159.024002 42.0 159.453934 17.0 160.808502 17.0 160.888092 26.0 160.991959 22.0 161.045258 17735.0 161.114136 18.0 161.246063 19.0 161.774246 17.0 161.950958 24.0 162.04805 1320.911621 162.742416 19.0 162.760834 23.0 162.88736 18.0 163.048508 180.0 163.210052 32.0 163.413422 18.0 163.770477 24.0 164.345047 17.0 165.568527 18.0 165.928238 19.0 166.143967 20.0 168.09639 22.0 168.35437 28.0 169.59317 18.0 169.933228 23.0 172.580185 21.0 172.883972 17.0 174.153137 25.0 176.46521 18.0 178.76059 19.0 178.991791 42.0 179.055511 11685.924805 179.974945 18.0 180.058228 792.0 181.059036 190.0 182.066223 17.0 182.156372 19.0 182.238724 20.0 182.477509 18.0 183.972794 52.0 185.042633 41.0 185.471817 37.0 186.060181 25.0 186.968018 27.0 189.000793 21.0 193.488373 21.0 197.557205 18.0 197.864014 18.0 198.772415 19.0 199.493805 18.0 202.674896 18.0 204.189102 31.0 204.456497 20.0 215.055161 33.0 215.861252 18.0 217.801361 22.0 218.052109 18.0 220.171295 20.0 221.065933 11961.632812 221.131439 20.0 221.709747 17.0 222.06842 1149.095215 223.069443 117.0 223.824509 22.0 223.858917 17.0 224.06691 18.0 227.739319 24.0 227.909103 18.0 229.373215 20.0 233.064438 38.0 234.950333 18.0 237.965836 18.0 242.788177 29.0 245.068039 23.0 246.697418 20.0 250.251038 23.0 251.086075 84.0 258.89975 18.0 260.214355 20.0 263.076111 2306.969482 263.89621 20.0 264.081451 144.0 264.951843 21.0 266.038696 18.0 266.096649 18.0 266.153687 20.0 266.868591 19.0 269.092346 18.0 270.924713 18.0 273.760468 20.0 278.101593 29.0 281.086395 1841.0 282.091553 269.0 282.862793 22.0 283.095123 154.0 286.626221 21.0 288.527161 25.0 299.742035 31.0 300.048767 18.0 304.167755 28.0 305.096161 18.0 305.920044 18.0 305.999298 18.0 309.016266 65.0 310.005524 18.0 310.99765 58.0 311.097198 18.0 311.446594 26.0 323.096893 37.0 326.303162 28.0 336.842377 18.0 341.108887 1454.0 342.114044 338.0 343.054138 18.0 343.115906 194.0 344.046295 18.0 344.510681 22.0 345.051819 57.0 354.681 18.0 360.828552 20.0 363.702454 34.0 378.087463 18.0 379.072601 18.0 381.895447 39.0 386.994232 21.0 404.09967 20.0 405.789276 17.0 408.150513 18.0 412.869904 36.0 457.525146 18.0 457.773712 18.0 462.230896 19.0 464.715393 20.0 476.421509 18.0 476.572083 25.0 486.332886 18.0 486.687225 20.0 487.016235 18.0 487.177338 4219.0 487.24408 17.0 487.282196 37.0 487.430573 18.0 488.178436 815.0 488.482941 20.0 489.187836 166.509018 490.177734 22.0 524.703491 18.0 525.391174 18.0 542.65387 18.0 571.217529 22.0 596.672119 20.0 623.952148 43.0 697.611389 22.0 808.796997 33.0 829.297791 17.0 887.408264 17.0 1062.393066 41.0 1068.262817 26.0 1083.221558 18.0 1184.365234 18.0 END IONS BEGIN IONS SCANS=303 PEPMASS=341.10796 CHARGE=-1 COLLISION_ENERGY=0.0 55.568302 20.0 57.266209 18.0 58.457844 18.0 59.012096 144.0 60.016155 20.0 63.275948 20.0 63.757565 18.0 64.744232 49.0 65.436226 23.0 66.332092 18.0 66.608208 18.0 68.120049 18.0 68.259712 17.0 70.413681 19.0 71.012779 448.0 71.31665 20.0 73.028076 429.52243 73.283279 20.0 76.424957 17.0 77.965691 22.0 79.789536 20.0 80.019714 20.0 81.032433 128.0 81.664825 23.0 82.963531 19.0 83.012138 68.0 84.743095 32.0 85.026886 163.0 85.094635 20.0 87.006638 22.0 87.210823 37.0 87.229385 20.0 89.023857 422.0 90.913437 20.0 91.586014 18.0 92.086609 20.0 94.27478 19.0 95.010826 18.0 95.183411 28.0 97.027985 295.0 97.135689 20.0 98.032295 40.0 98.539734 37.0 99.005394 23.0 99.171837 18.0 101.024361 747.0 101.257111 17.0 102.029121 18.0 102.136215 22.0 102.176552 24.0 103.511986 52.0 103.823845 17.0 104.171188 18.0 104.757195 26.0 105.221184 29.0 113.023079 252.0 114.626595 37.0 115.038292 104.0 117.615974 19.0 119.037712 56.0 120.035355 18.0 122.321159 20.0 123.583328 20.0 125.022331 78.0 126.716423 24.0 126.80365 18.0 127.043205 29.0 129.460129 24.0 130.776901 18.0 131.396454 20.0 131.589615 21.0 134.776627 18.0 134.921844 18.0 135.566116 23.0 136.968628 18.0 138.417633 18.0 141.084488 18.0 141.818848 24.0 142.772415 22.0 143.034134 230.0 144.043442 24.0 147.864777 20.0 148.037689 20.0 148.334824 27.0 149.037979 18.0 149.9897 20.0 156.080933 18.0 156.682648 17.0 156.695923 17.0 156.735764 23.0 158.471542 18.0 159.026764 21.0 161.04657 500.0 161.138367 20.0 162.047028 25.0 165.819473 17.0 167.415894 23.0 170.585342 19.0 170.758728 18.0 173.548737 20.0 174.163315 18.0 179.052887 162.795334 180.002487 31.0 183.01268 19.0 185.28862 20.0 187.111511 17.0 188.157883 30.0 190.791748 20.0 199.605438 18.0 201.642212 18.0 202.092758 23.0 213.71254 22.0 221.06842 260.121796 227.627945 20.0 243.467545 20.0 243.642807 20.0 249.517883 21.0 253.065765 30.0 262.787628 18.0 263.037567 22.0 263.067139 22.0 264.075165 17.0 264.393341 20.0 265.002625 18.0 271.785248 18.0 277.001587 20.0 277.253265 20.0 277.756897 20.0 279.670715 18.0 280.667114 20.0 287.47879 23.0 289.505219 22.0 289.879547 18.0 291.019989 18.0 311.157104 20.0 323.137695 20.0 323.678772 18.0 324.401184 17.0 341.103088 45.0 344.259155 18.0 359.896606 18.0 368.934601 20.0 372.32608 30.0 377.070404 19.0 386.566895 29.0 398.500824 18.0 402.646637 19.0 437.814087 18.0 439.574707 28.0 453.058136 17.0 467.552307 17.0 487.188995 25.0 488.195007 18.0 499.77475 18.0 535.9729 18.0 569.212402 20.0 594.02771 18.0 683.222412 44.0 684.22345 20.0 687.517456 23.0 715.182251 19.0 722.210205 20.0 829.311829 20.0 830.318359 20.0 1007.372192 18.0 1020.333374 20.0 1048.846191 20.0 1056.33374 18.0 1096.791748 18.0 1181.223755 21.0 1194.424683 18.0 END IONS BEGIN IONS SCANS=304 PEPMASS=85.02887 CHARGE=0 COLLISION_ENERGY=0.0 50.502346 23.0 51.205536 18.0 51.216385 18.0 51.421871 21.0 51.638683 18.0 51.742973 18.0 52.336655 18.0 55.572548 18.0 56.156609 18.0 56.344864 21.0 58.593758 27.0 58.877415 24.0 58.998417 19.0 60.587189 18.0 61.045555 36.0 61.989998 20.0 62.407116 18.0 63.629002 23.0 64.398262 17.0 65.448036 23.0 66.072083 18.0 67.03196 36.0 70.129471 18.0 74.000786 17.0 74.793396 19.0 75.577477 19.0 76.040413 27.0 77.024712 18.0 78.870895 24.0 80.383202 20.0 80.548897 22.0 81.124596 18.0 83.611877 18.0 86.390991 17.0 87.972977 18.0 88.114975 21.0 89.770103 23.0 90.7743 33.0 90.945297 17.0 91.151123 27.0 91.659737 22.0 93.255432 18.0 94.804375 18.0 95.7537 18.0 96.822845 21.0 98.027267 37.0 100.248283 18.0 101.562157 51.0 101.828293 17.0 102.221786 20.0 103.157654 26.0 103.794678 19.0 104.704788 48.0 104.806725 20.0 105.018105 28.0 105.393669 18.0 105.824677 38.0 105.90731 22.0 107.437065 25.0 107.479347 18.0 108.027077 23.0 108.912529 28.0 109.350777 26.0 109.768745 29.0 110.766129 18.0 114.347549 20.0 115.285202 20.0 118.521545 18.0 120.758415 23.0 120.976349 18.0 121.231888 18.0 121.279839 38.0 123.145493 18.0 126.402191 20.0 127.739754 25.0 129.132309 17.0 129.85347 38.0 129.935913 35.0 131.098877 29.0 132.455017 29.0 133.06897 23.0 134.837509 20.0 135.064484 38.0 136.622742 21.0 136.989731 24.0 137.294479 31.000002 137.428802 20.0 139.731003 17.0 141.607773 39.0 143.431549 18.0 143.480423 19.0 147.725754 18.0 148.975861 24.0 151.006744 25.0 154.87825 18.0 155.014954 18.0 155.294891 20.0 157.373993 18.0 157.746323 32.0 158.400742 18.0 158.657776 28.0 159.787125 17.0 163.763046 21.0 164.34494 27.0 164.982208 17.0 165.041138 22.0 169.667694 50.0 170.042892 18.0 170.265762 18.0 179.50148 18.0 180.037216 19.0 184.905746 24.0 185.70163 20.0 187.29155 18.0 187.740616 18.0 188.248459 18.0 190.256943 56.0 190.564636 18.0 192.017883 18.0 192.390396 20.0 192.686203 24.0 194.527939 31.0 198.950043 20.0 199.271484 25.0 199.298752 35.0 204.607513 22.0 205.553314 22.0 207.049545 20.0 207.256149 18.0 208.922836 18.0 214.646439 18.0 218.944244 19.0 228.53801 28.0 229.364578 29.999998 229.925186 17.0 231.70314 24.0 231.842972 20.0 232.661331 31.0 240.293686 21.0 244.722229 18.0 245.316498 26.0 245.44281 18.0 246.873657 20.0 257.365967 20.0 259.648804 17.0 262.053741 20.0 269.841278 18.0 270.142029 20.0 271.782135 18.0 271.870422 18.0 277.12616 18.0 283.594391 20.0 284.041595 18.0 285.52887 34.0 289.403442 17.0 290.382385 20.0 290.851868 20.0 292.056671 22.0 293.775879 18.0 299.037415 20.0 307.651611 20.0 308.118988 25.0 311.055237 20.0 313.407166 43.0 313.454865 18.0 316.033081 20.0 325.80423 23.0 327.624084 22.0 328.202301 18.0 330.395477 17.0 341.101196 20.0 350.626068 22.0 356.032074 20.0 357.388947 18.0 365.675446 20.0 366.105988 25.0 366.2966 18.0 372.634125 18.0 377.091736 31.0 379.068146 21.0 381.824371 25.0 388.108795 18.0 404.114716 18.0 407.209625 18.0 408.74527 22.0 417.426514 18.0 420.135315 20.0 420.321289 18.0 430.140442 20.0 431.110413 20.0 434.478577 18.0 435.341003 17.0 442.248627 18.0 447.314545 22.0 454.205872 17.0 454.926025 19.0 460.057678 18.0 460.135712 23.0 492.052856 20.0 505.089569 17.0 507.482361 36.0 527.082886 25.0 533.84021 26.0 535.142456 18.0 553.06366 17.0 563.044434 33.0 601.330017 25.0 630.042908 22.0 679.283203 18.0 684.233398 17.0 705.214783 18.0 771.731384 18.0 779.556458 17.0 811.017578 20.0 822.279358 18.0 827.169617 18.0 828.607117 20.0 891.46106 35.0 897.300293 19.0 903.261353 21.0 979.077148 18.0 1003.633667 35.0 1007.55481 17.0 1029.310059 18.0 1034.74292 22.0 1051.741211 22.0 1058.160767 26.0 1072.635132 20.0 1073.291016 18.0 1083.286621 17.0 1115.220947 36.0 1119.633667 23.0 1126.748779 18.0 1135.214111 20.0 1140.217041 30.0 1141.142822 18.0 1161.786499 18.0 1164.129517 23.0 1167.179443 36.0 1180.766724 18.0 1184.753418 17.0 1188.779541 17.0 1191.268311 54.0 END IONS BEGIN IONS SCANS=305 PEPMASS=161.04506 CHARGE=0 COLLISION_ENERGY=0.0 50.651684 22.0 51.140247 23.0 58.032032 17.0 59.013325 20.0 59.130352 22.0 59.255783 26.0 59.75219 21.0 61.517574 18.0 62.518154 20.0 62.988659 28.0 64.215996 20.0 66.467575 18.0 67.534653 17.0 68.641129 20.0 68.777016 18.0 70.261574 18.0 71.468491 24.0 73.031059 18.0 74.106674 25.0 74.559662 19.0 75.494156 25.0 75.665092 20.0 76.441879 22.0 77.092628 22.0 78.927666 20.0 79.483765 19.0 80.242813 33.0 80.530365 18.0 82.210251 18.0 84.264175 24.0 84.903206 25.0 85.173088 20.0 86.814789 20.0 86.925797 26.0 87.174072 19.0 88.845802 20.0 89.040092 18.0 89.993439 18.0 91.036034 22.0 91.069756 32.0 91.695343 23.0 92.415565 22.0 93.250229 19.0 93.337692 17.0 94.938843 18.0 95.059952 23.0 95.355576 28.0 95.980301 22.0 97.033653 35.0 97.067932 17.0 98.863449 21.0 99.006882 19.0 100.040985 20.0 101.024757 20.0 102.026283 18.0 103.19976 18.0 104.155968 18.0 104.317886 28.0 104.870995 19.0 106.358551 33.0 107.544273 29.0 108.932281 22.0 110.334457 20.0 110.868073 18.0 111.904045 20.0 112.656441 23.0 115.77523 36.0 116.48616 20.0 116.929657 17.0 117.743782 20.0 118.774071 28.0 118.988091 39.0 119.016396 18.0 120.205162 18.0 121.241814 18.0 122.278442 20.0 122.53508 18.0 123.344337 33.0 123.643555 19.0 124.125389 17.0 125.162895 27.0 126.225128 24.0 127.009224 19.0 128.810562 18.0 129.663239 18.0 130.933685 21.0 131.23378 28.0 131.588501 18.0 136.672302 24.0 137.875519 18.0 138.142532 18.0 139.871078 21.0 143.403412 38.0 144.215012 19.0 144.315842 25.0 145.182419 20.0 146.064758 23.0 147.272018 20.0 148.292465 18.0 151.843216 20.0 153.072632 21.0 155.580292 22.0 159.54364 22.0 159.893936 17.0 160.444275 18.0 160.871613 18.0 161.896912 18.0 162.032303 21.0 162.906433 20.0 163.034561 21.0 167.443954 20.0 173.609909 19.0 177.391006 26.0 177.44516 20.0 178.335953 27.0 181.790359 97.0 189.43158 19.0 195.737366 17.0 198.286942 17.0 204.167236 20.0 205.570557 43.0 214.427475 18.0 215.835938 24.0 221.438309 29.0 227.458786 18.0 227.773636 24.0 228.475052 28.0 235.001297 33.0 238.69725 20.0 246.563431 18.0 247.330078 27.0 250.8806 30.0 253.073196 22.0 253.783035 23.0 253.978348 30.0 254.220291 30.0 257.660217 18.0 261.62735 20.0 261.728851 25.0 262.081299 21.0 263.653076 27.0 272.336761 17.0 274.301514 18.0 281.706055 25.0 284.69693 19.0 295.27298 23.0 305.350372 20.0 313.415588 18.0 314.747223 25.0 325.412048 18.0 331.285583 21.0 336.839874 18.0 337.651703 44.0 348.822418 22.0 350.200897 17.0 351.434784 19.0 357.671356 24.0 364.523804 18.0 375.19519 20.0 380.100372 20.0 384.709503 21.0 396.006073 19.0 447.902557 31.000002 449.240875 20.0 488.174164 19.0 661.105286 22.0 686.134949 20.0 721.175476 27.0 829.305237 22.0 904.351196 17.0 907.452148 27.0 1038.278076 18.0 1041.721802 17.0 1082.334717 27.0 1087.18689 20.0 1126.037476 17.0 1138.979736 18.0 1150.141602 18.0 1189.391357 20.0 END IONS BEGIN IONS SCANS=306 PEPMASS=179.0556 CHARGE=0 COLLISION_ENERGY=0.0 50.873646 17.0 53.154778 18.0 53.73634 20.0 53.753891 24.0 55.752739 29.0 56.596188 18.0 57.44006 18.0 57.667889 27.0 59.145054 20.0 60.101238 19.0 61.049374 23.0 61.538342 18.0 62.721935 33.0 64.273209 36.0 65.301277 20.0 67.148933 28.0 67.259796 21.0 69.049095 34.0 69.696808 20.0 70.432785 18.0 72.181412 18.0 73.022713 20.0 73.093132 20.0 73.326942 38.0 73.819183 23.0 76.234245 19.0 76.671425 21.0 77.145035 26.0 80.273018 28.0 80.430817 17.0 80.635384 24.0 80.708809 23.0 81.335434 30.0 82.541817 18.0 83.517609 20.0 83.856293 27.0 84.00499 18.0 86.572601 18.0 89.032402 45.0 91.169144 20.0 91.437141 18.0 93.298248 23.0 93.804352 17.0 93.899727 17.0 95.042091 23.0 95.675461 24.0 97.933617 18.0 98.003876 33.0 98.215523 30.0 98.974846 20.0 101.064156 18.0 101.198723 18.0 106.547478 20.0 108.770653 25.0 109.027863 26.0 109.803635 18.0 110.762184 20.0 111.649529 29.0 112.484505 17.0 112.966408 33.0 112.987091 18.0 113.699646 32.0 115.617043 18.0 117.557976 19.0 118.496872 20.0 118.825348 28.0 119.411964 20.0 121.022675 22.0 121.297058 18.0 122.232193 18.0 123.18869 21.0 124.254692 21.0 129.467972 19.0 131.081863 20.0 131.843628 49.0 132.843597 37.0 132.923416 24.0 134.38147 19.0 134.885651 25.0 134.919037 22.0 136.19249 23.0 137.032837 20.0 137.337708 20.0 137.719742 21.0 138.588501 20.0 144.267715 20.0 145.063385 42.0 146.064072 17.0 146.299377 29.0 148.054855 22.0 150.813278 20.0 155.556519 24.0 156.61438 18.0 159.89537 20.0 161.045197 44.0 161.882492 18.0 169.32045 19.0 169.818848 17.0 170.053253 29.0 172.053696 18.0 172.755844 20.0 172.816483 18.0 175.226852 20.0 177.834427 23.0 178.845047 18.0 179.905884 21.0 180.325134 18.0 181.078827 21.0 181.815857 23.0 182.795517 41.0 191.331818 20.0 191.969421 18.0 195.460678 29.0 199.601456 22.0 203.020279 39.0 203.738235 18.0 208.7995 21.0 209.704453 36.0 210.008347 18.0 213.04689 17.0 213.560883 38.0 223.548981 18.0 225.664886 18.0 228.299393 17.0 230.251221 25.0 239.136429 18.0 241.658752 18.0 252.449615 24.0 258.054016 18.0 260.433655 18.0 260.721771 40.0 267.968079 19.0 269.991394 18.0 279.021698 18.0 279.260529 18.0 284.281219 20.0 300.193573 23.0 306.353912 25.0 311.582977 20.0 314.027893 18.0 321.848938 22.0 325.443085 19.0 326.296753 18.0 328.975555 20.0 336.204498 34.0 340.056885 43.0 344.737793 18.0 347.953949 24.0 350.140503 20.0 365.741547 28.0 377.081146 75.0 382.012878 19.0 385.236664 20.0 403.260132 23.0 413.118347 22.0 417.125336 48.0 439.550507 18.0 443.16626 20.0 461.621918 18.0 462.234741 20.0 468.926971 20.0 481.162811 19.0 484.627197 19.0 487.175446 63.0 488.183258 18.0 494.667572 21.0 496.339111 19.0 497.130096 35.0 526.008179 25.0 544.997986 18.0 558.391235 17.0 580.78949 21.0 683.232849 37.0 684.216736 29.0 700.938843 18.0 729.166992 21.0 745.199158 21.0 754.257446 17.0 803.166016 20.0 829.305237 17.0 829.590088 20.0 834.136292 23.0 836.065125 20.0 843.223633 18.0 953.173706 17.0 955.945679 42.0 990.086487 17.0 1029.248169 38.0 1043.196899 18.0 1050.298218 19.0 1090.173218 18.0 1113.269897 18.0 1114.107056 23.0 1121.280884 17.0 1134.112427 20.0 1157.669067 28.0 1158.14624 21.0 1165.373291 18.0 1175.091675 18.0 1180.096924 20.0 END IONS BEGIN IONS SCANS=307 PEPMASS=404.10376 CHARGE=-1 COLLISION_ENERGY=0.0 50.673019 31.999998 51.45166 18.0 52.832031 20.0 53.882877 23.0 54.473518 21.0 56.515846 38.0 59.744812 25.0 61.106796 20.0 61.987743 8298.0 62.005486 17.0 62.098942 18.0 62.264175 29.0 62.49229 18.0 62.525642 18.0 62.812355 34.0 62.992664 18.0 63.637733 19.0 63.767075 42.0 64.408134 32.0 65.056442 20.0 67.006233 18.0 71.008759 18.0 72.269928 27.0 73.351685 33.0 74.031258 17.0 77.221321 17.0 78.249794 22.0 80.667267 21.0 81.067726 18.0 81.985176 20.0 83.751228 42.0 84.623337 19.0 86.48777 22.0 87.097748 20.0 88.07196 19.0 89.022499 27.0 89.767883 17.0 90.667747 25.0 97.514565 20.0 98.836136 34.0 101.023727 36.0 102.986572 17.0 104.074066 23.0 104.539215 22.0 108.702347 18.0 109.042969 23.0 110.52562 28.0 111.747551 21.0 114.094124 18.0 115.200455 17.0 116.927963 26.0 117.11293 23.0 117.531158 18.0 119.031082 18.0 123.745773 17.0 125.656044 24.0 126.05098 18.0 126.142441 23.0 128.032578 20.0 128.451157 20.0 128.489502 17.0 129.661438 24.0 131.149033 17.0 133.439423 20.0 134.018509 28.0 135.727783 34.0 137.049667 18.0 137.610672 20.0 137.911469 21.0 140.015289 18.0 140.033203 20.0 140.118774 27.0 141.459686 30.0 142.018906 18.0 145.061752 326.0 145.953873 17.0 146.611694 18.0 147.066635 19.0 147.986679 18.0 149.046295 18.0 151.974686 20.0 153.54393 22.0 157.493866 18.0 161.04155 18.0 163.752655 20.0 168.272247 25.0 171.785843 22.0 172.551636 19.0 176.089081 19.0 176.494797 17.0 176.624054 34.0 179.054565 97.0 179.537033 18.0 181.677078 21.0 183.59436 24.0 184.543533 34.0 185.052124 23.0 191.033112 23.0 192.179001 36.0 192.91095 19.0 195.078201 21.0 196.859741 20.0 198.360657 18.0 198.702759 21.0 199.92984 22.0 200.048096 18.0 200.831406 18.0 203.601837 21.0 203.700409 18.0 206.870377 28.0 209.442719 18.0 215.355774 20.0 215.41806 17.0 221.068405 96.0 227.065643 22.0 229.066025 28.0 231.883682 21.0 234.304321 23.0 234.40155 20.0 241.343521 27.0 243.640182 20.0 246.616898 26.0 249.094009 26.0 255.212387 23.0 260.464386 18.0 268.96814 22.0 279.425659 18.0 284.321442 18.0 286.369995 27.0 287.977478 24.0 290.093506 29.0 292.686584 22.0 297.038757 24.0 299.184296 25.0 301.209839 22.0 304.023865 27.0 313.117676 80.354195 315.054474 59.0 315.085846 45.0 322.382751 27.0 341.110321 51.0 343.034058 22.0 350.481262 40.0 358.090851 22.0 376.100128 22.0 377.077087 47.0 377.142456 18.0 387.089447 28.0 393.763916 18.0 402.219635 18.0 404.10257 1205.0 405.110474 235.0 405.976196 22.0 406.109528 39.0 414.473206 49.0 415.550354 19.0 423.054962 18.0 468.622009 18.0 468.974426 18.0 473.918671 23.0 483.161163 18.0 487.177765 88.0 488.091888 17.0 488.18631 57.0 503.150696 18.0 552.862732 18.0 571.09729 20.0 657.130188 22.0 676.268555 18.0 683.233276 57.0 769.340515 20.0 779.203735 17.0 799.971619 18.0 804.256042 53.000004 823.284546 18.0 829.299438 42.0 830.297791 20.0 848.793518 20.0 859.012939 26.0 869.312866 22.0 997.354736 20.0 1025.761108 26.0 1043.130493 18.0 1047.274414 20.0 1112.273193 65.0 1117.80896 21.0 1188.176636 26.0 1197.215942 26.0 END IONS BEGIN IONS SCANS=308 PEPMASS=683.22475 CHARGE=-1 COLLISION_ENERGY=0.0 59.012524 35.0 60.485374 18.0 71.011902 142.857712 73.028687 138.0 75.581184 17.0 81.032684 75.0 83.01635 87.0 87.001556 55.0 88.91597 25.0 89.02433 284.0 90.023079 18.0 97.02935 345.0 97.0616 18.0 98.0298 18.0 101.024689 1109.0 101.252914 18.0 102.027 38.0 102.633118 18.0 113.02343 125.0 114.022888 50.0 115.010124 47.0 115.04213 96.0 117.044388 27.999998 117.152771 18.0 119.035515 351.0 125.023476 103.0 126.02314 17.0 131.035461 54.0 137.037827 34.0 143.036163 602.0 144.038208 106.0 148.027176 18.0 149.039825 38.0 158.702499 18.0 160.531723 17.0 161.045471 4252.0 161.686691 18.0 161.998383 20.0 162.048874 485.0 162.316269 21.0 163.051712 37.0 170.929977 20.0 179.055786 1689.0 179.580933 24.0 180.058212 103.0 187.656555 25.0 206.141861 19.0 211.076202 20.0 221.067291 954.225281 221.53952 18.0 222.064392 35.0 223.077469 20.0 225.575089 30.0 243.131927 25.0 253.186829 18.0 262.906189 20.0 263.07547 529.0 264.084839 36.0 265.086487 18.0 271.124786 18.0 281.087433 392.0 282.089294 53.0 282.93689 23.0 283.090973 19.0 284.547028 18.0 288.45282 17.0 294.208282 22.0 296.072052 17.0 323.097412 34.0 329.937714 18.0 330.035034 20.0 339.080688 18.0 340.202026 35.0 341.004852 18.0 341.110931 900.820862 342.111328 147.0 342.167664 18.0 343.109039 40.0 399.033081 27.0 420.061615 50.0 421.055237 48.0 428.741791 17.0 431.605133 23.0 440.874603 19.0 480.078552 20.0 482.75592 25.0 487.182251 17.0 504.255829 20.0 539.100952 18.0 606.219788 29.0 623.214233 18.0 625.226868 19.0 677.920105 24.0 682.832397 18.0 683.229614 69.0 685.187195 20.0 1026.475708 34.0 END IONS BEGIN IONS SCANS=309 PEPMASS=533.13516 CHARGE=0 COLLISION_ENERGY=0.0 55.019356 104.0 57.036278 105.0 57.172089 19.0 58.041592 37.0 59.013081 87.0 75.00782 79.0 83.830109 20.0 84.012238 17.0 85.028862 9337.665039 85.161667 17.0 85.273804 20.0 85.51461 22.0 85.550972 23.0 85.770363 17.0 86.033379 491.0 86.054016 17.0 86.998589 20.0 87.008362 20.0 87.035133 68.0 88.036911 20.0 99.010765 39.0 103.00325 161.0 105.015251 127.0 106.020401 37.0 115.06414 25.0 117.017113 42.0 120.008469 22.0 120.653404 22.0 121.048912 39.0 129.019135 308.0 130.99234 18.0 131.791687 21.0 134.14505 17.0 136.726044 23.0 141.017639 24.0 143.0401 28.0 145.010818 17.0 145.398987 18.0 147.029633 1389.96167 148.027573 68.987305 148.047577 26.751411 150.055588 107.0 161.044586 36.0 165.034073 20.0 173.683167 18.0 174.511902 17.0 175.026993 22.0 177.480362 22.0 179.031281 20.0 188.231644 21.0 188.351166 18.0 189.03833 22.0 190.086716 18.0 190.399033 52.0 190.939026 18.0 190.97319 22.080391 191.018967 27250.351562 191.056519 47.1521 191.079391 37.0 191.328064 26.0 191.707336 20.0 191.945038 40.0 192.023178 2043.0 192.055359 26.0 192.575043 18.0 193.03273 1982.167114 193.072403 179.972931 194.039017 79.0 194.072845 37.0 194.483551 17.0 194.833694 20.0 195.049408 18.0 195.29776 21.0 195.966843 20.0 199.986725 39.0 200.963135 23.0 202.86174 20.0 209.342972 30.0 218.038345 43.0 219.04007 25.0 221.049927 27.0 227.073822 18.0 236.976578 17.0 255.095627 18.0 300.055023 20.0 320.074249 21.0 326.681793 17.0 386.105042 24.0 387.1987 30.0 397.461395 18.0 401.932617 18.0 415.83609 29.0 416.058563 27.0 423.820007 23.0 533.136414 28.0 533.786804 27.0 535.133057 23.0 537.180298 20.0 END IONS BEGIN IONS SCANS=310 PEPMASS=337.0767 CHARGE=0 COLLISION_ENERGY=0.0 50.388874 18.0 52.693737 18.0 54.740467 21.0 55.765995 20.0 56.729561 22.0 56.806252 18.0 57.519577 18.0 57.629234 26.0 57.684429 22.0 58.117958 26.0 59.013744 36.0 59.374538 21.0 59.42408 21.0 60.958954 25.0 62.750603 27.0 63.191826 48.0 63.214928 18.0 65.885559 18.0 66.520767 21.0 67.896614 23.0 68.507683 19.0 68.545578 19.0 68.914268 20.0 69.035591 20.0 70.013916 18.0 70.717392 20.0 71.009109 39.0 71.926811 32.0 72.85498 22.0 72.988213 18.0 74.693771 18.0 75.01001 53.0 76.011497 20.0 76.117264 19.0 78.194588 21.0 78.87603 27.0 78.942818 18.0 79.101006 17.0 79.335876 23.0 79.909164 20.0 80.303429 22.0 81.031029 18.0 82.009964 18.0 82.97905 19.0 85.029762 54.0 85.5131 17.0 85.926514 50.0 86.13018 18.0 88.262604 21.0 89.027107 72.0 90.400627 20.0 91.419456 17.0 93.627441 17.0 97.028412 66.0 98.031914 23.0 99.014877 20.0 99.381165 17.0 100.010468 22.0 100.161812 17.0 100.28141 21.0 101.02523 35.0 102.032188 54.0 102.417809 18.0 102.896507 52.0 103.036133 17.0 103.14521 38.0 103.489433 18.0 103.803398 18.0 104.735184 20.0 105.012718 18.0 109.027924 23.0 109.038849 34.0 109.717216 18.0 110.017067 20.0 110.3396 38.0 113.029015 89.0 113.283089 20.0 114.034241 20.0 114.580269 18.0 115.005219 194.0 115.826393 18.0 116.932503 18.0 119.169159 20.0 119.414665 20.0 119.437195 22.0 119.851845 20.0 121.486115 18.0 125.023949 78.0 127.286964 17.0 128.489182 20.0 129.46904 24.0 130.022812 32.0 133.668198 20.0 133.737579 31.0 135.036911 20.0 135.970245 24.0 136.082367 18.0 136.983475 18.0 137.984604 17.0 141.017426 102.0 142.083649 24.0 142.943176 20.0 143.076309 28.0 145.062378 50.0 145.887054 20.0 146.006622 18.0 146.895004 17.0 150.436172 17.0 151.407364 20.0 151.89061 24.0 152.716949 22.0 153.012909 26.0 155.141449 18.0 155.236725 21.0 156.07547 51.0 159.033615 49.0 159.618088 82.0 159.856308 18.0 164.977402 20.0 167.030533 18.0 168.043823 21.0 168.192017 39.0 169.027649 42.0 169.974548 19.0 171.262985 21.0 174.014954 1378.415283 174.247147 22.0 175.027069 200.160675 176.023346 24.0 176.291046 20.0 177.027786 17.0 179.052521 31.0 180.774948 18.0 180.953232 20.0 181.543671 18.0 189.040359 38.0 194.463425 21.0 197.024902 17.0 197.925293 17.0 199.822876 21.0 202.896744 20.0 203.647919 18.0 204.0177 33.0 204.551819 26.0 204.970261 17.0 211.967056 18.0 216.420883 17.0 218.994461 18.0 219.224243 18.0 219.775513 24.0 220.05835 20.0 226.96788 22.0 228.5336 23.0 229.037125 44.0 233.071823 18.0 234.858124 27.0 238.11055 28.0 238.302414 31.0 239.445969 20.0 243.697922 18.0 243.71991 18.0 244.16214 23.0 245.949524 20.0 248.26561 22.0 251.827942 25.0 253.031342 24.0 272.090363 18.0 277.063293 85.0 277.954529 24.0 279.072937 25.0 280.435638 21.0 282.642822 65.0 285.077148 40.0 285.925262 22.0 286.077362 22.0 287.057617 18.0 289.981232 20.0 290.812775 24.0 292.232788 18.0 295.09079 28.0 296.665314 21.0 298.9375 17.0 300.100983 24.0 306.097992 20.0 309.103027 19.0 316.157227 26.0 316.422394 18.0 321.633301 20.0 321.949005 18.0 336.060608 20.0 336.901123 18.0 337.077606 2476.192871 337.177734 18.0 338.078705 336.0 338.174866 20.0 338.222809 23.0 338.575928 18.0 339.198486 90.0 340.082855 21.0 340.204071 86.0 341.054504 18.0 347.242432 17.0 348.30072 23.0 351.453186 23.0 361.686584 20.0 374.44397 18.0 377.07486 19.0 382.134735 18.0 390.811096 19.0 404.11145 18.0 413.950653 18.0 417.66748 25.0 426.00946 21.0 444.576447 18.0 450.760895 17.0 451.114319 18.0 459.046539 18.0 473.148529 38.0 487.155273 24.0 520.334717 18.0 533.145203 21.0 540.077209 21.0 576.937073 28.0 580.823975 20.0 584.354492 20.0 593.144958 22.0 595.20282 18.0 596.244202 18.0 605.207703 18.0 615.436523 22.0 641.210327 18.0 663.211914 18.0 685.940002 18.0 697.840454 18.0 726.187744 26.0 750.833923 20.0 761.138733 17.0 826.45813 17.0 829.297424 30.0 1009.681091 22.0 1029.092407 20.0 1029.646973 19.0 1042.591187 18.0 1066.205811 19.0 1125.108521 20.0 1128.209229 42.0 1147.292603 27.0 1151.147583 25.0 1152.728882 17.0 1185.158325 22.0 1190.047974 20.0 1195.482788 23.0 END IONS BEGIN IONS SCANS=311 PEPMASS=285.08152 CHARGE=0 COLLISION_ENERGY=0.0 58.029331 20.0 58.454082 18.0 64.135765 20.0 70.028984 63.0 71.022789 131.16481 72.008926 77.0 82.693535 20.0 87.010788 27.0 88.041039 19.0 91.01918 22.0 95.025337 172.0 96.010071 25.0 96.026329 19.0 97.030655 25.0 99.921051 45.0 104.424072 21.0 110.940636 23.0 112.714394 18.0 113.034866 1948.0 114.019562 1197.484009 114.044693 40.0 114.107941 19.0 115.003922 38.0 115.025642 44.0 116.025604 22.0 118.013542 24.0 124.040428 18.0 124.956444 34.0 127.078781 18.0 128.361404 35.0 131.046051 4452.0 132.045837 226.0 132.910568 18.0 133.01387 49.0 133.048767 87.0 140.051773 29.0 143.707916 21.0 144.898102 22.0 149.667709 18.0 153.026535 81.0 154.018326 18.0 155.953384 37.0 156.885605 23.0 157.079636 21.0 168.969666 18.0 172.031616 22.0 180.794891 17.0 184.116455 24.0 186.035065 18.0 188.996506 18.0 211.874802 24.0 212.559723 19.0 214.055832 20.0 224.976181 70.479843 234.79364 18.0 241.673462 25.0 245.847382 18.0 249.057693 18.0 263.169617 18.0 263.692413 19.0 267.071533 18.0 268.070557 18.0 277.704651 20.0 281.605865 58.0 285.08551 161.0 285.121979 18.0 286.083862 17.0 289.122467 21.0 291.698517 25.0 322.730133 17.0 357.945129 20.0 450.899719 18.0 523.823608 23.0 848.788269 22.0 890.021912 19.0 END IONS BEGIN IONS SCANS=312 PEPMASS=131.04576 CHARGE=0 COLLISION_ENERGY=0.0 52.018276 21.0 53.001434 23.0 53.427933 18.0 55.873596 24.0 57.620785 20.0 58.027512 18.0 58.640987 25.0 61.420071 22.0 62.788155 20.0 62.845436 23.0 63.073044 20.0 63.630589 18.0 63.89423 18.0 67.436424 21.0 68.248032 17.0 68.566696 22.0 68.721672 18.0 69.488426 20.0 70.030128 215.004562 70.586739 26.0 71.015976 46.0 71.027664 19.0 72.008591 313.840393 72.031898 38.0 72.93132 20.0 72.991432 20.0 73.009499 20.0 73.432762 24.0 73.484024 17.0 74.448257 28.0 75.1036 25.0 78.752739 20.0 79.119949 18.0 82.131325 18.0 83.047462 18.0 83.931862 19.0 84.008698 19.0 84.245926 18.0 84.34108 18.0 85.889565 20.0 86.021538 21.0 87.01725 31.0 87.05732 23.0 89.023712 18.0 91.929413 18.0 91.944786 19.0 92.647247 18.0 92.90239 60.0 94.022881 17.0 94.752708 23.0 94.786957 23.0 95.02565 396.0 96.208275 18.0 96.951645 20.0 97.016289 22.0 98.526978 21.0 100.932945 20.0 101.485695 36.0 104.926506 18.0 105.524231 26.0 105.53495 18.0 106.333961 18.0 107.964417 20.0 108.003014 18.0 109.434265 20.0 110.362656 17.0 113.035324 1728.481079 113.757561 21.0 114.019104 2156.0 114.641418 36.0 114.982033 19.0 115.024529 157.0 115.296722 18.0 115.730225 23.0 115.925911 52.0 116.019218 18.0 116.532425 18.0 117.382736 23.0 118.647369 20.0 118.701088 22.0 118.8237 18.0 118.879921 28.0 118.979523 54.000004 119.40197 17.0 121.385574 18.0 126.31044 20.0 127.240097 30.0 129.318817 18.0 130.095642 27.0 131.046143 1327.0 131.244781 25.0 132.023163 24.0 132.20163 29.0 132.864502 71.651749 132.900467 24.0 133.021988 26.0 133.048569 109.0 134.052917 23.0 134.746185 18.0 134.861954 54.0 134.911102 22.0 136.158264 24.0 136.289764 30.0 136.332275 19.0 139.439026 19.0 140.22728 36.0 141.742065 18.0 142.11647 19.0 143.076141 21.0 145.011124 25.0 145.163574 18.0 147.067856 18.0 148.344193 30.0 149.478104 18.0 151.04248 30.0 151.484909 28.0 153.07045 41.0 154.496323 19.0 160.441055 18.0 162.300735 18.0 164.76149 19.0 172.490723 21.0 175.329391 20.0 177.128952 20.0 178.243347 20.0 181.000977 18.0 184.865219 18.0 186.597275 45.0 195.324036 36.0 195.544495 21.0 198.285141 20.0 207.031464 23.0 211.731857 18.0 212.23082 19.0 213.656693 20.0 216.024902 30.0 221.512161 18.0 223.387283 31.0 228.737778 18.0 231.829453 25.0 232.031204 18.0 234.783646 20.0 237.836731 18.0 237.936157 18.0 240.259171 22.0 243.41861 20.0 249.01619 17.0 262.947388 18.0 264.585815 25.0 265.656006 21.0 266.271362 26.0 274.391846 20.0 281.083038 20.0 285.09021 29.0 285.637512 31.0 289.19809 20.0 305.616608 25.0 305.7388 17.0 306.460419 19.0 311.092834 17.0 313.172607 22.0 314.211487 17.0 314.79187 34.0 315.253235 19.0 316.22641 23.0 318.026459 18.0 326.717529 18.0 327.585388 19.0 335.72876 26.0 337.070496 26.0 341.112061 21.0 351.296906 45.0 352.312927 21.0 377.086975 28.0 420.785736 18.0 428.220642 18.0 439.118011 18.0 439.284271 18.0 459.145782 18.0 473.139282 23.0 473.178497 24.0 509.156921 23.0 560.741638 18.0 584.16571 17.0 602.008484 18.0 630.164368 22.0 662.228088 29.0 698.345581 22.0 808.121155 19.0 819.251526 26.0 929.092224 17.0 948.176453 18.0 991.303772 22.0 1005.205444 23.0 1030.053223 17.0 1031.044434 22.0 1041.070312 18.0 1062.232788 17.0 1089.125732 18.0 1105.34375 17.0 1112.157715 19.0 1118.337158 19.0 1119.034912 26.0 1136.417969 20.0 1141.183105 22.0 1146.177979 17.0 1161.621948 20.0 1170.657349 18.0 1173.337646 18.0 1198.210327 18.0 END IONS BEGIN IONS SCANS=313 PEPMASS=473.16222 CHARGE=-1 COLLISION_ENERGY=0.0 51.614666 19.0 52.422794 32.0 52.882854 22.0 53.181732 27.0 53.283928 21.0 53.845001 18.0 54.372013 19.0 54.457916 31.0 55.02042 20.0 55.688358 17.0 58.409119 22.0 58.819183 22.0 59.012806 129.0 59.769489 17.0 60.444229 18.0 61.042923 18.0 64.021759 31.0 64.110298 29.0 64.675613 29.0 66.304688 30.0 67.330849 18.0 67.552979 20.0 67.711281 22.0 67.748131 18.0 69.478683 27.0 70.591713 29.0 71.013351 221.0 71.024254 61.0 72.008354 118.0 73.027573 61.0 73.343071 18.0 74.028793 40.0 74.294495 19.0 75.154701 20.0 76.298668 22.0 78.264076 23.0 78.854439 19.0 83.316742 17.0 84.102669 22.0 84.160851 24.0 84.481834 18.0 84.524712 20.0 85.03067 51.0 85.877808 41.0 87.401711 29.0 87.656677 22.0 88.051353 21.0 88.50943 38.0 89.024223 506.0 89.480087 18.0 89.490898 17.0 90.030106 20.0 90.496033 18.0 91.650261 20.0 91.883377 22.0 91.967804 20.0 93.022041 21.0 93.059128 17.0 94.019737 27.0 95.026337 132.0 96.010033 17.0 96.026962 26.0 96.063225 20.0 96.686615 23.0 98.833221 24.0 101.024803 488.0 102.329849 24.0 103.314919 21.0 104.036064 56.0 107.759865 21.0 108.778412 17.0 109.192024 22.0 110.747757 40.0 113.034256 4359.094238 113.272629 26.0 113.331917 20.0 114.018745 1961.380005 114.167412 18.0 114.785263 17.0 115.00428 85.0 115.024376 152.507416 115.043205 76.045471 115.619637 22.0 116.025536 27.0 116.326187 18.0 117.318993 20.0 117.973961 20.0 119.036438 169.0 119.612579 18.0 119.797279 18.0 119.947433 20.0 120.038963 45.0 120.819138 18.0 122.856056 18.0 124.659409 18.0 124.852325 24.0 125.026047 40.0 126.108147 18.0 127.052315 21.0 127.265167 18.0 127.674522 31.0 128.954849 18.0 129.15065 18.0 130.576965 20.0 131.045639 27536.566406 131.072388 19.0 131.101105 53.0 131.211212 18.0 131.265518 29.999998 131.304108 18.0 131.414719 19.0 131.712616 18.0 131.747086 18.0 132.049515 1810.151123 132.241501 18.0 132.308197 37.0 132.409485 17.0 132.45903 19.0 132.638046 20.0 132.860931 18.0 133.014755 215.090988 133.051788 175.0 133.335815 19.0 133.521118 19.0 133.850357 39.0 133.903671 18.0 134.545151 21.0 134.771561 18.0 135.028763 37.0 136.835373 18.0 137.860565 28.0 138.286194 23.0 138.715347 18.0 139.743683 17.0 140.953323 20.0 142.405045 18.0 143.030792 55.0 143.420441 28.0 144.911362 22.0 145.794144 18.0 146.934494 19.0 148.765228 30.999998 149.047531 96.0 150.257416 22.0 154.21431 18.0 156.166489 22.0 158.057053 26.0 158.325226 22.0 158.364365 18.0 161.044815 1013.0 161.451324 24.0 162.042618 112.0 162.841705 28.0 163.061264 19.0 165.378891 25.0 166.01474 19.0 167.08905 20.0 167.200653 24.0 175.025833 18.0 175.220062 24.0 175.271622 26.0 176.532379 22.0 177.208832 23.0 179.055649 1069.0 179.121689 20.0 180.058212 72.0 180.895798 18.0 181.053146 32.0 181.312622 27.0 183.74646 25.0 185.042694 27.0 186.218674 21.0 186.823563 23.0 188.087296 22.0 190.672882 20.0 193.006119 18.0 193.24588 18.0 196.059479 20.0 197.099319 40.0 197.69783 19.0 200.058655 18.0 200.095779 17.0 200.363739 19.0 200.545914 18.0 202.028809 21.0 203.05986 23.0 208.982071 21.0 211.976593 18.0 212.94986 29.0 214.992462 18.0 215.293762 29.0 216.025452 39.0 218.355591 22.0 219.429199 18.0 221.06572 1125.0 222.07341 68.0 222.278244 18.0 222.985565 17.0 223.077133 44.0 223.64563 18.0 225.059113 18.0 225.153824 22.0 229.677216 18.0 233.055481 27.0 234.294067 18.0 235.045013 36.0 239.852127 20.0 240.059906 22.0 249.881897 20.0 253.292618 22.0 256.177521 22.0 258.070099 38.0 258.288391 19.0 259.534882 27.0 260.634674 18.0 263.077057 233.0 264.080536 45.0 265.939819 18.0 266.202209 18.0 272.207703 18.0 274.57077 22.0 276.96405 21.0 281.089142 65.0 285.079102 35.0 286.094208 22.0 290.783264 17.0 294.946198 17.0 297.058777 18.0 299.094879 21.0 299.872803 20.0 300.16864 22.0 303.741943 36.0 310.998169 23.0 314.22171 21.0 320.055359 27.0 320.124695 18.0 323.106934 18.0 324.358826 22.0 325.531586 17.0 332.096893 30.0 332.420288 22.0 336.016388 22.0 338.906067 20.0 340.194183 21.0 341.00769 18.0 341.104736 214.0 341.490082 23.0 343.119995 234.0 344.081635 23.0 344.12088 18.0 352.131775 22.0 354.688965 34.0 359.009674 18.0 365.002869 20.0 369.117432 18.0 371.074982 18.0 377.078094 41.0 379.082367 17.0 380.081757 27.0 382.904175 19.0 383.005219 19.0 404.099396 40.0 405.121857 25.0 409.201263 30.0 415.566315 18.0 423.045441 17.0 424.241333 23.0 425.995758 18.0 428.079346 19.0 453.124603 17.999998 472.223297 23.0 473.163452 579.0 474.167816 204.0 475.185699 82.0 475.238403 18.0 476.183105 20.0 485.57901 20.0 566.600403 27.0 581.037109 26.0 620.282288 19.0 636.18103 17.0 651.050964 20.0 669.849365 22.0 743.046997 17.0 757.017883 17.0 781.091431 20.0 807.190063 39.0 826.192444 20.0 828.160461 19.0 858.129517 18.0 887.115356 21.0 892.111938 19.0 953.447205 17.0 957.156189 22.0 959.248169 24.0 977.132446 18.0 1010.178833 20.0 1045.16748 18.0 1067.237671 17.0 1076.872925 18.0 1087.216309 19.0 1099.601685 29.0 1101.258911 28.0 1105.062744 31.0 1127.297485 18.0 1128.134155 18.0 1129.259033 22.0 1150.983765 24.0 1166.268188 18.0 1171.212891 18.0 1187.030396 21.0 1197.19751 22.000002 1198.303467 18.0 END IONS BEGIN IONS SCANS=314 PEPMASS=230.11407 CHARGE=0 COLLISION_ENERGY=0.0 50.559315 45.0 51.939842 20.0 52.447304 28.0 52.464455 18.0 53.313538 20.0 53.45536 18.0 53.895473 19.0 55.113239 18.0 56.752937 18.0 56.856422 18.0 58.030365 75.0 58.560509 18.0 59.629555 18.0 59.791756 20.0 60.359676 18.0 61.773766 18.0 64.266846 20.0 65.244492 18.0 66.434341 18.0 67.017845 19.0 69.950157 37.0 71.018959 20.0 71.282707 19.0 72.046219 37.0 73.041367 18.0 74.022491 309.0 74.094429 63.0 74.173447 17.0 74.534492 18.0 74.857346 26.0 77.637344 18.0 79.207176 17.0 80.030457 19.0 81.376381 18.0 83.931259 21.0 83.952957 18.0 84.687843 17.0 85.163795 18.0 85.946335 36.0 86.947678 19.0 87.567581 18.0 92.993484 38.0 93.780266 27.0 94.615517 18.0 94.944618 18.0 95.590523 20.0 96.044571 18.0 96.154037 23.0 96.937683 22.0 96.968132 18.0 97.039795 30.0 97.945946 651.771118 98.06562 25.0 98.327454 21.0 98.953957 308.0 99.005692 17.0 99.090836 18.0 99.952774 86.0 100.95665 34.0 101.023018 21.0 101.134514 18.0 102.318764 19.0 103.529633 36.0 104.035263 1463.0 104.939308 18.0 105.016403 20.0 105.039474 49.560951 107.057632 18.0 109.027573 22.0 109.071426 17.0 110.060905 232.0 110.083092 18.0 110.60891 18.0 111.945061 18.0 112.034454 18.0 112.936081 19.0 113.941666 210.0 114.044006 22.0 114.07756 18.0 114.949577 28.0 115.052025 59.0 115.093849 23.0 115.850273 27.0 116.999237 25.0 118.467743 22.0 119.95314 33.0 123.95713 18.0 125.021996 20.0 125.071968 46.0 125.641441 18.0 125.941437 18.0 126.056465 236.0 127.049614 38.0 127.087509 941.0 127.872787 18.0 127.936058 40.0 128.087677 58.0 129.002777 18.0 129.019943 63.0 129.937195 509.101288 130.931473 52.0 131.936264 18.0 132.211411 18.0 136.949707 18.0 137.029861 17.0 138.341568 20.0 139.039291 19.0 139.083817 20.0 139.937393 18.0 140.925018 18.0 140.950073 22.0 140.968781 20.0 141.106674 40.0 141.390686 19.0 141.937759 478.0 142.101715 18.0 142.196136 24.0 142.942383 489.0 143.08316 140.0 143.949814 347.27832 144.084824 20.0 144.114365 209.0 144.354507 29.0 144.957047 58.0 145.065765 23.0 145.098099 22.0 146.967941 18.0 147.849564 18.0 150.95546 22.0 151.040619 23.0 151.150696 18.0 152.079193 20.0 153.861221 22.0 156.878204 18.0 157.931564 836.0 159.929306 37.0 160.11438 18.0 161.220795 22.0 164.075699 20.0 167.090225 27.0 167.577774 17.0 168.104645 20.0 168.404129 19.0 169.097168 405.0 170.015381 28.0 170.094376 63.0 171.075684 62.0 171.144196 20.0 172.08461 26.0 173.016937 20.0 173.080261 35.0 173.112991 18.0 176.599487 24.0 176.648849 19.0 179.018616 32.0 180.475143 20.0 182.98761 19.0 183.008041 18.0 184.011566 29.0 184.933075 97.0 185.103333 17.0 185.333267 17.0 185.925552 22.0 185.964188 20.0 186.127625 18.0 186.934586 300.0 187.81778 18.0 187.941635 366.0 188.105515 932.0 188.94516 59.0 189.102814 120.0 190.867752 21.0 192.023376 18.0 195.085999 22.0 196.054413 39.0 197.384445 30.0 201.049393 18.0 203.0159 20.0 203.108398 24.0 203.910583 18.0 206.314667 22.0 208.434723 20.0 208.716766 23.0 210.030136 20.0 210.807556 29.0 211.445404 22.0 212.104004 160.0 212.252045 37.0 212.536285 18.0 213.04509 27.0 213.089172 132.882874 213.124237 18.0 214.157532 19.0 214.382828 18.0 219.765945 22.0 221.725204 38.0 227.337418 25.0 227.644836 23.0 229.64592 20.0 230.114365 1797.0 231.008728 50.435238 231.05777 145.0 231.118042 69.580574 231.931808 118.0 232.080353 17.0 232.11261 40.0 233.029037 56.0 233.099808 20.0 233.743073 18.0 234.333054 17.0 235.73999 42.0 236.312164 18.0 245.306519 17.0 249.938324 30.999998 252.079437 21.0 255.472977 24.0 258.780396 38.0 281.243713 17.0 282.150787 20.0 285.918823 20.0 294.567169 28.0 294.810181 23.0 300.536255 24.0 304.580505 17.0 305.747009 18.0 315.98407 23.0 317.693604 23.0 324.910706 18.0 327.492889 33.0 330.397614 18.0 331.07724 18.0 333.564545 18.0 336.232422 22.0 337.938171 21.0 341.101471 20.0 351.053162 20.0 357.150848 18.0 364.043182 31.0 366.127777 25.0 379.081482 19.0 389.944397 19.0 390.642883 24.0 392.917877 18.0 394.204803 19.0 394.76767 18.0 395.831635 18.0 397.853394 29.0 404.093292 23.0 407.104431 20.0 425.144012 28.0 432.054352 17.0 443.085815 17.0 444.023743 18.0 452.107452 21.0 473.160431 40.0 489.216339 17.0 501.45462 29.0 512.66449 25.0 523.060852 51.0 582.201294 18.0 593.978943 21.0 602.072876 22.0 633.109253 26.0 689.413818 24.0 719.159485 18.0 732.980225 20.0 751.130493 18.0 831.245178 20.0 842.168823 22.0 855.309387 22.0 881.107727 20.0 899.089111 21.0 901.046997 26.0 955.125061 18.0 966.483521 20.0 986.211304 22.0 1016.136658 18.0 1045.251831 21.0 1051.175781 18.0 1053.237427 22.0 1103.299194 19.0 1105.161011 27.0 1109.967041 24.0 1110.21582 18.0 1119.166016 19.0 1119.996094 22.0 1140.75647 18.0 1144.722778 20.0 1150.258179 18.0 1159.09668 47.0 1163.567383 26.0 1167.143921 19.0 1179.677612 29.0 1198.708252 18.0 END IONS BEGIN IONS SCANS=315 PEPMASS=85.0288 CHARGE=0 COLLISION_ENERGY=0.0 50.140228 17.0 50.926266 26.0 51.255692 17.0 52.314743 17.0 52.880943 28.0 53.2962 20.0 55.0709 18.0 55.22052 18.0 57.062122 20.0 57.931229 28.0 58.108143 22.0 58.199486 18.0 60.116714 43.0 61.474892 39.0 65.689636 18.0 67.086555 24.0 67.634056 61.0 67.673943 18.0 67.683304 18.0 67.708885 23.0 71.02066 20.0 71.916504 24.0 72.310486 18.0 72.332153 18.0 73.469948 18.0 74.850128 24.0 75.376839 22.0 75.539368 22.0 75.604561 19.0 76.201691 20.0 76.260414 20.0 76.591034 18.0 78.311897 18.0 79.420197 21.0 80.575043 18.0 80.590057 20.0 80.864265 19.0 82.008965 20.0 83.308838 26.0 86.466789 18.0 86.559975 18.0 87.08329 18.0 88.069473 38.0 91.115044 20.0 91.483887 18.0 93.016388 24.0 94.978828 20.0 96.081528 23.0 103.46981 20.0 103.722778 25.0 105.084496 20.0 107.189934 29.0 109.143738 25.0 109.702927 20.0 110.667053 20.0 110.93985 24.0 111.976578 17.0 114.076767 21.0 116.559135 18.0 117.692375 25.0 117.889587 19.0 118.399139 55.0 119.197639 17.0 119.283951 18.0 119.949226 21.0 121.441017 17.0 122.293976 18.0 122.954231 27.0 124.086906 20.0 125.523125 18.0 125.943237 17.0 126.705093 18.0 129.015686 20.0 129.240234 17.0 129.670502 22.0 130.264526 18.0 132.3759 23.0 133.04274 18.0 133.075027 18.0 137.855621 17.0 138.47197 17.0 139.743393 28.0 140.039688 23.0 141.147263 20.0 143.964874 27.0 148.70903 18.0 152.702423 40.0 152.849884 17.0 153.303223 17.0 159.027908 21.0 159.436859 22.0 160.940948 22.0 167.92865 17.0 172.843277 20.0 175.314819 20.0 176.126648 18.0 176.161514 25.0 176.404312 27.0 177.0271 49.0 178.125107 68.0 179.05394 18.0 181.632996 23.0 187.913193 20.0 188.171921 23.0 189.461868 18.0 191.018295 18.0 191.41275 18.0 191.764816 18.0 191.828217 20.0 192.309998 37.0 192.565277 20.0 192.940659 18.0 193.423279 29.0 194.891357 21.0 195.931808 21.0 198.813187 48.0 199.872757 25.0 201.43602 19.0 206.120087 17.0 207.469101 18.0 208.975586 27.0 211.819733 39.0 212.989624 43.0 213.421387 18.0 214.577805 18.0 216.024414 58.0 223.855225 18.0 226.222 18.0 228.285645 18.0 228.539444 19.0 233.37999 17.0 236.593796 43.0 239.493988 20.0 240.431793 20.0 249.356461 18.0 256.27594 22.0 265.953705 28.0 271.012726 18.0 272.996552 27.0 278.869476 17.0 281.259644 22.0 283.761292 22.0 284.71994 17.0 285.536438 18.0 286.903992 20.0 292.71756 26.0 301.68512 22.0 307.987701 20.0 315.018188 18.0 318.626801 20.0 326.483032 19.0 328.611145 25.0 331.372192 18.0 331.469971 24.0 337.067902 18.0 340.7164 21.0 344.248291 19.0 345.000977 26.0 345.179962 20.0 349.978424 18.0 361.948547 18.0 371.808716 19.0 373.324402 24.0 388.515442 20.0 389.977051 38.0 395.086395 25.0 404.108673 19.0 405.033783 19.0 405.375488 20.0 415.142212 18.0 415.948151 30.0 446.482452 18.0 473.161591 17.0 477.107605 19.0 487.190582 51.0 501.017181 18.0 506.540405 18.0 533.127563 47.0 548.113464 18.0 580.067749 17.0 667.451416 25.0 669.115051 22.0 761.468079 25.0 781.087952 19.0 819.203918 21.0 819.295227 29.999998 832.682251 23.0 969.175354 22.0 970.015442 33.0 987.217285 19.0 999.980835 18.0 1003.094727 18.0 1014.985779 20.0 1029.377075 19.0 1034.277954 17.0 1036.68811 21.0 1058.688477 20.0 1108.245728 20.0 1126.27063 17.0 1141.299438 17.0 1157.80542 22.0 1160.314331 17.0 1161.431152 20.0 1172.237549 28.0 1175.588867 20.0 1184.313354 19.0 END IONS BEGIN IONS SCANS=316 PEPMASS=231.05892 CHARGE=0 COLLISION_ENERGY=0.0 53.955082 17.0 55.329079 21.0 61.986172 18.0 62.990643 17.0 70.132324 22.0 74.02433 832.468384 77.018669 18.0 78.313927 21.0 82.026131 39.0 85.943657 95.0 87.074738 18.0 92.556664 18.0 93.705757 19.0 94.026978 22.0 96.936752 17.0 96.959167 18.0 97.946548 480.0 98.954063 349.0 98.987144 18.0 99.006531 17.0 99.946304 41.0 100.95372 22.0 101.972122 22.0 104.034676 3354.0 104.177704 18.0 105.038818 308.0 105.342438 18.0 106.038574 40.0 113.367828 34.0 113.942223 188.551285 114.041496 24.0 115.090431 30.0 121.814354 21.0 126.016693 39.0 126.055481 82.0 126.839844 18.0 127.058037 40.0 127.088989 296.0 127.943222 37.0 127.997208 18.0 128.098434 40.0 129.014786 18.0 129.937302 211.0 130.102844 21.0 130.934921 21.0 131.986206 25.0 137.27948 19.0 141.454071 18.0 141.937546 217.0 142.101059 20.0 142.943375 340.0 143.300095 27.0 143.948593 181.0 144.080353 24.0 145.057343 44.0 145.090363 21.0 146.070145 69.0 146.104752 20.0 146.930389 21.0 147.641953 22.0 149.040894 17.0 151.084579 17.0 151.143936 21.0 155.929657 18.0 155.944382 38.0 157.931046 398.119873 158.928543 45.0 160.100723 20.0 160.893768 24.0 161.995758 18.0 164.039719 21.0 169.093475 75.0 170.092682 42.0 171.048843 20.0 171.075012 25.0 171.249466 17.0 172.734879 21.0 174.935883 20.0 175.05069 26.0 185.935226 77.40126 186.93338 362.0 187.940231 222.0 188.103897 206.0 188.941864 25.0 189.098633 45.0 194.091263 33.0 201.048172 33.0 212.106049 127.0 216.798096 18.0 230.116928 290.0 231.026489 17.0 231.055084 55.0 231.117767 53.0 233.032547 59.0 235.997849 28.0 249.858521 25.0 272.519012 26.0 274.342773 20.0 276.819672 18.0 282.883606 18.0 298.028931 24.0 336.522156 50.0 361.801025 20.0 363.685272 27.0 386.708862 21.0 395.522705 18.0 408.941589 20.0 466.998108 17.0 476.002686 23.0 519.798401 20.0 540.420654 22.0 559.169983 18.0 579.573547 18.0 680.670471 26.0 1065.196045 24.0 END IONS BEGIN IONS SCANS=317 PEPMASS=314.12433 CHARGE=0 COLLISION_ENERGY=0.0 50.352062 25.0 52.1464 18.0 53.598221 21.0 53.652599 21.0 57.753902 35.0 58.506413 20.0 58.753078 17.0 59.010334 18.0 61.988735 25.0 62.866829 18.0 65.133606 32.0 65.345222 18.0 65.641396 19.0 66.079964 18.0 67.60984 17.0 70.27404 18.0 71.820679 18.0 72.005112 18.0 73.028946 23.0 73.210274 18.0 74.70961 18.0 75.010292 19.0 75.59613 29.0 75.855125 18.0 77.146942 26.0 78.081238 24.0 78.976212 19.0 79.865128 18.0 83.014198 18.0 85.028641 95.0 85.771965 18.0 86.033333 41.0 87.002235 18.0 89.827339 17.0 90.174019 18.0 90.857124 18.0 95.983025 41.0 98.906296 18.0 100.664803 28.0 101.005882 31.0 104.035385 70.0 106.760918 34.0 109.048103 18.0 109.733719 18.0 110.515541 20.0 111.214836 24.0 111.640305 20.0 111.999321 21.0 113.033936 17.0 115.449753 34.0 116.046295 20.0 116.744049 18.0 118.733368 23.0 119.03289 23.0 120.701607 19.0 122.037781 260.0 122.579346 20.0 123.043144 42.0 124.047684 29.0 125.017204 17.0 125.418396 19.0 126.516251 24.0 126.551109 18.0 126.676025 28.0 126.937386 24.0 127.745949 20.0 128.585022 17.0 128.952042 20.0 131.14447 29.0 132.63913 31.0 134.584305 18.0 135.133438 29.0 136.667053 18.0 137.018829 24.0 141.129776 18.0 141.913025 20.0 143.782104 24.0 144.880356 23.0 145.061829 46.0 146.146988 20.0 147.025085 18.0 147.527084 23.0 147.946518 17.0 148.056259 18.0 150.335785 18.0 150.451035 18.0 151.394852 24.0 151.855942 17.0 152.071548 4040.286377 152.335419 18.0 153.026947 18.0 153.072937 480.0 153.099045 17.0 153.457397 18.0 154.075241 21.0 154.47197 18.0 154.647903 18.0 155.667389 26.0 156.594864 17.0 156.742004 22.0 158.29747 18.0 159.198273 20.0 160.167984 22.0 163.264877 18.0 164.964249 23.0 166.11116 18.0 167.946915 18.0 168.948486 17.0 169.009552 20.0 171.577209 18.0 173.597382 17.0 178.369812 20.0 181.974014 18.0 182.617065 18.0 184.712082 19.0 187.382523 19.0 187.460815 18.0 187.945099 36.0 189.016647 57.0 189.089371 61.0 191.019409 72.0 191.367981 22.0 193.637039 18.0 193.934006 19.0 197.613983 27.0 198.957367 19.0 204.930237 19.0 208.122391 23.0 211.067657 53.0 211.649582 20.0 223.046066 28.0 223.353409 20.0 224.901505 23.0 225.04837 18.0 225.455154 20.0 230.112167 22.0 233.142471 18.0 235.178558 24.0 239.567535 54.0 245.536621 18.0 248.052963 18.0 253.485672 17.0 256.012909 19.0 257.099182 18.0 261.164001 25.0 261.903259 18.0 267.421173 17.0 268.62677 18.0 280.687408 20.0 283.952972 18.0 284.044647 17.0 294.031647 21.0 298.815674 17.0 304.109039 17.0 314.117065 17.0 314.136322 23.0 315.125336 68.0 316.026611 18.0 316.182678 18.0 317.790985 20.0 331.676544 33.0 332.825134 17.0 338.595032 18.0 344.492706 17.0 359.693207 18.0 363.098236 24.0 365.139008 18.0 365.842316 18.0 374.128601 17.0 377.072693 18.0 378.095642 25.0 381.09436 18.0 384.852386 18.0 390.129211 25.0 393.02951 20.0 393.390991 18.0 404.105591 22.0 405.774323 18.0 417.215576 27.0 419.021088 17.0 427.715515 18.0 450.163086 28.0 487.165283 24.0 493.979736 20.0 503.272827 32.0 511.254669 19.0 518.785767 43.0 534.123291 18.0 539.131409 22.0 549.169128 18.0 618.120972 20.0 632.213318 20.0 635.302307 17.0 636.63147 28.0 637.059387 30.0 648.112244 18.0 651.157166 24.0 660.5578 18.0 679.014099 18.0 717.917236 19.0 731.015503 18.0 803.18689 17.0 806.114685 20.0 819.993591 17.0 844.114746 18.0 859.085327 22.0 872.166382 20.0 874.883179 18.0 903.048157 17.0 913.718445 18.0 931.269531 65.0 946.078613 17.0 959.490051 23.0 975.116028 18.0 1000.161926 24.000002 1026.116333 30.0 1026.558716 20.0 1053.764404 18.0 1099.171143 20.0 1109.098633 20.0 1146.685425 17.0 1181.633545 18.0 1193.657471 20.0 1197.66394 18.0 1197.722534 18.0 END IONS BEGIN IONS SCANS=318 PEPMASS=446.15105 CHARGE=-1 COLLISION_ENERGY=0.0 50.797176 18.0 51.376007 20.0 55.017761 32.0 56.016819 34.0 56.863419 17.0 56.999638 21.0 57.929344 20.0 59.014057 564.0 59.288788 17.0 59.703377 18.0 60.014725 28.0 60.523357 19.0 61.176228 20.0 61.291172 22.0 61.98785 34.0 63.467041 19.0 65.933014 17.0 67.085571 18.0 69.051872 30.0 69.758751 18.0 70.4282 28.0 71.013367 700.0 72.015854 17.0 73.029381 626.0 73.169121 22.0 74.024101 716.0 75.028358 48.0 78.324173 18.0 80.356918 20.0 80.953041 17.0 81.035339 51.0 83.013512 261.0 84.020615 18.0 85.028503 77.0 85.1987 26.0 86.027908 26.0 87.009567 102.0 88.046555 18.0 88.325104 18.0 89.023804 1522.0 89.042274 17.0 89.070267 18.0 89.576454 22.0 90.031364 17.0 90.283424 22.0 90.476425 22.0 90.944481 40.0 91.087318 35.0 92.418724 26.0 92.929749 45.0 95.015045 143.0 97.029282 782.0 97.61702 50.0 97.652809 21.0 99.005348 42.0 99.044296 42.0 99.682793 18.0 99.889404 22.0 100.329666 18.0 101.024445 2258.848145 101.230873 18.0 102.027 75.0 102.958923 62.0 103.003891 83.0 103.027466 22.0 104.034988 18833.306641 104.208466 22.0 104.231606 18.0 104.328766 20.0 104.563171 20.0 104.695854 18.0 104.857895 30.0 104.944954 22.0 104.954506 18.0 105.036171 869.026855 105.125366 25.0 105.181938 18.0 105.198059 18.0 105.224159 17.0 105.292831 19.0 105.377693 20.0 105.497841 18.0 105.733864 17.0 106.039108 242.0 106.555542 18.0 107.470345 18.0 107.847244 20.0 109.013268 25.0 112.516968 20.0 113.024162 1806.89502 113.660301 19.0 114.028259 166.0 114.962685 29.0 115.038589 174.0 115.427544 17.0 116.914993 29.0 117.138222 18.0 119.034233 1034.0 119.877724 18.0 120.040154 52.0 120.213287 18.0 121.647514 17.0 125.023941 111.0 125.733688 25.0 127.035538 22.0 129.977966 28.0 131.036835 200.0 131.073029 24.0 132.029572 23.0 132.748428 18.0 133.040497 18.0 133.05545 46.0 138.920731 23.0 143.03447 991.0 144.036713 145.0 144.14119 20.0 145.037231 19.0 149.046219 88.018677 150.672043 18.0 150.968002 22.0 158.508713 26.0 158.697144 18.0 160.843781 20.0 161.045364 4749.0 161.153381 18.0 162.048996 388.0 162.380188 18.0 163.049484 61.0 163.775208 18.0 163.982269 20.0 164.898544 20.0 170.833466 20.0 171.731171 33.0 175.901474 17.0 176.23259 35.0 177.169891 18.0 177.56691 19.0 177.811462 25.0 177.998215 21.0 178.508621 22.0 178.959686 22.0 178.991943 17.0 179.056366 3229.0 179.729645 28.0 180.059753 97.0 181.065231 21.0 182.437347 20.0 185.048279 36.0 189.013199 43.0 191.3909 20.0 195.636658 20.0 196.729019 22.0 197.584229 60.0 198.928299 29.0 203.019562 23.0 212.169159 20.0 212.888184 24.0 220.88208 19.0 221.06572 4097.0 221.244568 25.0 221.314056 38.0 222.069962 330.0 222.129776 18.0 223.077133 61.0 224.069763 17.0 230.118408 19.0 230.60112 24.0 231.064117 25.0 231.974411 17.0 233.06694 18.0 235.622513 20.0 236.917816 22.0 241.097229 23.0 242.567184 28.0 242.877197 23.0 245.489227 18.0 248.03241 18.0 249.016525 34.0 262.293915 17.0 262.950226 19.0 263.076447 817.0 264.09021 44.0 265.089417 17.0 265.184235 33.0 273.832825 48.0 280.779633 28.0 281.089233 482.0 282.089813 19.0 282.185333 17.0 283.103119 22.0 288.166687 19.0 294.05838 23.0 295.896515 17.0 299.006958 18.0 314.114471 18.0 320.794678 20.0 321.960571 19.0 322.051239 20.0 323.100555 72.0 324.954254 23.0 330.758057 20.0 331.379333 22.0 331.80719 18.0 331.99527 18.0 335.339996 18.0 341.108795 483.0 342.002106 17.0 342.11203 21.0 343.128815 471.0 344.118225 18.0 348.951233 23.0 353.232269 28.0 354.985809 18.0 356.005249 18.0 360.059875 41.0 372.019714 18.0 379.096069 31.0 385.249481 22.0 401.140228 18.0 401.552521 19.0 408.21402 20.0 411.804108 26.0 419.263794 18.0 424.18161 18.0 426.1362 20.0 429.877625 18.0 441.006958 18.0 446.150848 832.0 447.160065 215.0 448.167725 41.0 449.130249 20.0 449.311737 29.0 466.868469 17.0 511.111969 18.0 574.304993 18.0 596.959839 18.0 642.261719 17.0 659.248352 22.0 679.633179 18.0 809.847656 19.0 1004.533997 19.0 1030.275635 22.0 1055.02478 21.0 1172.138062 25.0 END IONS BEGIN IONS SCANS=319 PEPMASS=369.12982 CHARGE=0 COLLISION_ENERGY=0.0 71.015564 17.0 72.008102 76.0 73.029442 40.0 75.006851 47.0 80.057785 51.0 90.560753 18.0 92.053009 19.0 94.91111 59.0 99.092674 20.0 101.023727 47.0 104.034821 71.0 111.946861 19.0 113.022957 17.0 118.066933 44.0 122.365974 18.0 130.069153 25.0 131.04332 153.0 131.24353 18.0 136.008682 20.0 138.036957 18.0 142.066299 257.0 143.071945 44.0 144.041275 115.0 144.081757 24.0 145.052643 150.0 146.042648 32.0 146.058914 136.0 147.028809 20.0 147.060516 56.0 152.989304 18.0 156.082184 116.0 156.960785 17.0 157.05101 58.0 157.075302 43.0 158.06076 593.0 159.060928 62.0 159.967682 20.0 160.076874 23.0 162.052765 97.0 162.401382 25.0 167.062119 64.0 168.042343 63.0 169.076553 1773.0 170.060852 1014.326721 170.081589 299.19574 171.063278 112.0 171.092499 17.0 171.531036 19.0 172.04039 20.0 172.064682 20.422489 172.080536 63.193069 174.059875 57.0 175.965744 19.0 181.077881 369.0 182.082687 46.0 183.052704 18.0 183.088242 20.0 187.065475 72.0 187.09668 29.0 187.769897 20.0 188.07106 302.236847 188.168579 28.0 189.07785 63.0 189.698135 19.0 190.052017 79.0 191.054962 18.0 191.887756 18.0 197.069611 17.0 198.057968 18.0 199.030487 18.0 199.087448 1556.0 200.072525 92.494751 200.094742 143.505249 201.090363 20.0 202.050629 252.0 202.082367 21.0 202.996719 20.0 208.068619 42.0 209.042801 20.0 209.097458 25.0 211.088562 157.0 213.073242 25.0 213.103882 18.0 214.045456 55.0 216.990295 76.0 217.101776 55.0 218.081955 17.0 218.099838 18.0 218.187515 20.0 231.079514 58.0 232.063492 36.0 232.086914 19.0 234.047134 18.0 240.327332 22.0 241.047363 19.0 242.093338 36.0 243.077621 75.0 249.087387 111.000008 250.098709 39.0 253.094681 42.0 260.076355 30.0 260.976837 38.0 261.096832 97.0 262.996429 54.0 264.00415 18.0 264.667664 20.0 266.083496 29.0 267.495636 26.0 272.188721 20.0 279.096069 121.0 283.177399 18.0 286.62851 18.0 295.573364 20.0 301.203888 31.0 303.164001 30.0 306.912537 20.0 352.109497 18.0 353.113892 98.0 369.131134 173.0 371.12558 39.0 534.842102 18.0 882.543457 34.0 END IONS BEGIN IONS SCANS=320 PEPMASS=341.10796 CHARGE=-1 COLLISION_ENERGY=0.0 53.040836 27.0 55.622715 60.0 56.020493 24.0 59.012417 371.0 60.015354 18.0 70.238792 20.0 71.01329 945.0 71.771217 21.0 72.014259 18.0 73.029236 1043.272583 73.28653 18.0 73.67717 17.0 74.026672 41.971878 74.03759 28.028122 75.008362 18.0 75.030663 19.0 81.033379 87.0 83.013763 290.0 85.029182 122.0 86.30954 20.0 87.00692 109.0 89.023811 1004.846619 89.678497 18.0 90.028542 48.0 90.789169 22.0 93.340721 18.0 95.016098 99.0 95.05233 18.0 97.028748 1059.0 98.03244 58.0 98.896286 24.0 101.023209 1342.0 102.031044 90.288292 106.876083 22.0 109.025383 18.0 112.014824 17.0 113.023788 730.0 114.028175 56.0 115.040215 271.0 119.032623 328.0 120.035492 45.0 121.038513 17.0 122.347855 28.0 125.024666 37.0 126.03154 22.0 129.019989 18.0 131.033707 196.0 138.950897 21.0 143.035461 595.0 144.033859 40.0 145.039398 18.0 149.047089 59.0 161.045532 931.0 162.043961 42.0 163.06488 37.0 166.059586 22.0 175.06192 17.0 179.056824 579.0 180.058182 36.0 181.070206 31.0 185.045105 30.0 187.092865 27.0 203.063416 33.0 204.32991 18.0 218.019043 20.0 221.069092 575.0 223.07605 19.0 228.842987 17.0 229.216278 21.0 235.084274 17.0 256.64502 26.0 263.070129 20.0 268.043854 17.0 278.633209 20.0 280.033905 18.0 294.98877 25.0 297.145477 20.999998 305.64682 39.0 321.080658 18.0 321.522064 18.0 340.20108 17.0 343.083649 22.0 343.129639 103.0 356.745209 20.0 376.366577 30.0 378.702515 18.0 422.932953 25.0 423.188629 18.0 425.30545 20.0 436.020294 18.0 440.064514 42.0 441.534821 35.0 610.942383 24.0 873.26825 19.0 1163.834717 22.0 END IONS BEGIN IONS SCANS=321 PEPMASS=161.0451 CHARGE=0 COLLISION_ENERGY=0.0 50.682957 20.0 52.122097 24.0 53.48362 18.0 55.01738 22.0 55.048622 19.0 58.02113 41.0 58.666393 17.0 58.729179 18.0 59.013062 20.0 61.607796 18.0 61.727322 18.0 63.90456 20.0 64.684143 18.0 64.928673 20.0 67.371552 21.0 67.446945 50.0 68.130219 24.0 68.544182 19.0 69.035301 30.0 69.346107 19.0 71.013458 20.0 71.426903 26.0 71.695374 30.0 72.167747 23.0 72.278572 17.0 73.02961 130.0 74.024681 21.0 74.2658 24.0 76.134064 18.0 77.825996 18.0 79.016327 20.0 81.300293 18.0 81.654991 32.0 82.188911 31.0 82.299255 20.0 83.332451 28.0 83.449829 22.0 84.478912 24.0 84.685349 26.0 87.010971 48.0 87.668228 21.0 90.810051 39.0 90.930565 21.0 91.428871 20.0 91.574554 43.0 94.440964 18.0 95.498589 22.0 95.613823 18.0 97.028671 21.0 97.662132 19.0 99.67765 20.0 100.595161 36.0 101.025063 56.0 103.418617 23.0 103.878944 18.0 104.615028 21.0 106.309288 20.0 106.665878 17.0 106.87307 24.0 107.111526 18.0 109.399033 23.0 110.112633 20.0 110.67308 19.0 113.248199 20.0 113.886124 20.0 116.91745 26.0 117.683601 21.0 118.391922 25.0 119.908844 29.0 121.383667 30.0 125.851341 18.0 129.655487 25.0 129.799164 41.0 129.838196 18.0 130.861298 22.0 131.01416 38.0 131.574768 19.0 132.452682 19.0 133.016968 38.0 134.87117 19.0 138.037308 17.0 139.131592 17.0 139.328979 22.0 139.928696 18.0 142.597595 18.0 142.946182 25.0 143.041183 17.0 143.092804 18.0 144.620514 17.0 146.458817 21.0 146.594345 20.0 146.868546 20.0 149.050247 24.0 150.363998 22.0 154.410706 20.0 154.675308 19.0 155.232178 32.0 155.43782 17.0 156.92218 35.0 159.616806 28.0 160.069351 18.0 161.042496 53.0 162.073151 25.0 162.893707 20.0 164.175964 18.0 164.5298 27.0 165.043411 21.0 166.754761 30.0 167.530365 39.0 168.372803 21.0 168.727982 20.0 169.298874 25.0 172.961777 42.0 175.401337 19.0 178.909943 22.0 179.055984 111.0 179.343765 17.0 180.855652 25.0 181.220367 17.0 183.512024 23.0 183.828781 20.0 186.006393 20.0 186.033005 20.0 187.017105 20.0 190.720062 24.0 191.026505 61.999996 192.042557 18.0 195.468521 30.0 198.930374 26.0 199.404633 28.0 202.591705 29.0 202.736481 18.0 203.478134 20.0 204.088196 20.0 205.655304 24.0 207.689987 31.0 208.298096 29.0 208.558456 25.0 209.013214 31.0 211.026505 22.0 211.52562 20.0 212.673859 20.0 215.650818 20.0 220.347565 17.0 221.189987 22.0 222.390503 19.0 226.047775 40.0 231.846725 20.0 239.706299 18.0 242.932861 20.0 254.678619 21.0 260.983551 29.0 262.464905 18.0 270.226166 19.0 270.351898 21.0 274.582916 17.0 280.584015 19.0 284.515167 22.0 286.091797 26.0 291.939484 23.0 306.608337 18.0 308.252167 21.0 310.021454 22.0 312.389954 21.0 315.660706 18.0 326.514771 28.0 341.116882 33.0 348.082397 19.0 348.774445 20.0 348.998352 18.0 350.901764 22.0 352.587616 20.0 361.090668 50.0 365.826691 19.0 366.067688 21.0 368.248077 21.0 371.856415 33.0 374.770508 20.0 375.04834 18.0 377.092987 18.0 388.003387 26.0 397.282623 20.0 404.097015 20.0 404.477753 18.0 425.18158 52.0 436.908752 24.0 437.961609 20.0 443.441315 18.0 444.899292 18.0 446.155304 20.0 473.161591 20.0 485.001312 20.0 488.223907 18.0 488.40976 20.0 490.566193 78.0 494.341705 18.0 518.19043 20.0 549.168945 21.0 634.782898 18.0 643.151917 18.0 650.205566 19.0 665.223022 30.0 683.205933 29.0 719.191833 20.0 769.182556 20.0 800.168274 20.0 822.134644 20.0 854.629944 20.000002 859.30542 18.0 863.219238 38.0 868.562073 18.0 891.777039 18.0 921.133423 30.0 960.781006 41.0 965.628906 18.0 1004.219482 18.0 1014.26532 18.0 1029.293091 18.0 1042.24292 29.0 1043.259277 20.0 1049.315063 18.0 1069.675293 39.0 1093.234741 25.0 1096.322388 18.0 1105.338745 25.0 1121.788086 18.0 1141.259644 18.0 1146.168213 17.0 1161.423218 21.0 1182.523071 24.0 1194.187256 29.0 END IONS BEGIN IONS SCANS=322 PEPMASS=683.22474 CHARGE=-1 COLLISION_ENERGY=0.0 51.212666 18.0 55.015068 18.0 59.014141 379.0 61.018322 20.0 61.956944 20.0 62.753532 39.0 71.012573 833.371765 71.757645 18.0 71.982903 24.0 72.0168 47.0 73.029022 1066.35022 74.031288 57.0 77.021851 18.0 79.021744 20.0 81.032539 71.0 83.013245 307.0 85.027588 115.0 87.00663 112.0 87.280197 17.0 89.023315 2239.807861 90.02594 81.0 91.029556 61.0 95.015388 23.0 97.028831 1406.0 98.030426 71.0 99.010902 58.0 99.044632 70.0 99.560516 31.0 101.023857 4942.688477 101.154823 17.0 101.399368 17.0 101.429306 18.0 102.029121 175.0 103.023659 25.0 103.037331 18.0 103.225983 20.0 105.098579 31.0 107.030434 20.0 108.419601 23.0 109.024361 22.0 109.042274 22.0 111.524582 18.0 111.703445 22.0 113.023598 684.998596 113.247307 19.0 114.029366 43.0 115.03997 444.257385 115.100296 18.0 116.047874 41.0 117.052216 59.0 119.034805 1320.0 119.969345 18.0 124.722351 17.0 125.024292 213.0 125.317261 28.0 126.027344 39.0 126.509918 21.0 129.536987 17.0 131.034866 334.061279 131.385651 55.0 131.578751 22.0 131.964813 21.0 132.041504 31.0 133.05098 57.0 134.058517 40.0 138.026413 20.0 141.898026 20.0 143.034622 3201.0 144.039047 297.0 145.044983 26.0 148.180359 18.0 149.045349 158.0 149.615005 20.0 149.927597 23.0 150.94841 18.0 151.02713 22.0 152.99144 18.0 155.039352 53.0 159.721085 24.0 160.09613 18.0 160.46228 20.0 160.993683 18.0 161.045135 20577.0 161.092407 43.0 161.275208 18.0 161.414795 18.0 161.534409 18.0 161.55159 18.0 161.589066 20.0 161.694244 19.0 162.048935 1390.984253 162.407089 23.0 162.653961 18.0 163.049759 321.0 163.826782 17.0 163.986603 18.0 165.004852 38.0 169.071609 33.0 171.189774 26.0 176.418686 40.0 177.044434 40.0 178.043671 32.0 179.054886 10238.322266 179.229706 18.0 179.980911 19.0 180.060211 719.0 180.170929 36.0 180.616653 18.0 181.062012 201.0 183.682709 18.0 187.062759 22.0 191.063507 48.0 192.066086 17.0 210.671539 24.0 215.048889 22.0 217.445419 18.0 217.786301 19.0 221.066162 5055.782715 221.267609 18.0 221.509781 19.0 222.069763 408.0 223.051468 18.0 223.074066 73.0 231.221863 18.0 245.071259 24.0 246.025024 28.0 250.675491 20.0 251.071564 42.0 252.073318 24.0 263.077087 2425.102051 264.080963 225.0 266.309479 26.0 266.948639 23.0 270.191101 19.0 274.073547 18.0 276.522247 18.0 278.665924 17.0 281.087738 2281.0 281.355713 22.0 282.090576 328.0 283.090637 48.0 283.140533 20.0 284.036987 20.0 284.100494 18.0 323.093109 91.0 324.002899 21.0 339.196503 19.0 340.206085 68.0 341.108185 5741.0 341.195251 17.0 342.108826 608.019958 342.286682 18.0 342.993408 19.0 343.125916 120.478554 344.574921 18.0 345.906403 17.0 371.116058 18.0 375.881805 19.0 376.550903 17.0 415.77124 31.0 418.927582 28.0 425.294159 25.0 425.998352 17.0 443.122467 18.0 446.963531 18.0 503.153351 75.0 573.65625 18.0 598.396729 18.0 606.189941 18.0 623.207764 102.0 640.960938 20.0 644.613159 18.0 683.222229 456.0 684.213928 101.0 685.229736 56.0 706.112732 27.0 723.154846 31.0 807.395752 18.0 847.585388 33.0 866.751404 45.0 922.985962 26.0 1140.673706 22.0 END IONS BEGIN IONS SCANS=323 PEPMASS=404.10387 CHARGE=-1 COLLISION_ENERGY=0.0 54.187546 17.0 55.971466 18.0 60.877525 25.0 61.915142 20.0 61.987759 10890.0 62.227131 26.0 62.236801 18.0 62.30294 18.0 62.377419 17.0 62.578331 18.0 62.619495 22.0 62.71983 17.0 62.792061 43.0 62.982876 78.0 63.253532 21.0 63.991905 68.0 64.00489 27.0 65.190704 21.0 65.356667 28.0 66.025566 20.0 66.447952 30.0 67.401421 25.0 68.469376 20.0 69.768967 36.0 71.989265 32.0 72.867943 18.0 73.031921 19.0 76.163246 34.0 76.42659 44.0 77.344872 17.0 79.936478 19.0 81.502449 29.0 81.75119 18.0 82.39006 23.0 85.031731 29.0 86.845764 19.0 86.974876 19.0 87.555107 22.0 89.019409 18.0 94.70929 21.0 95.394821 18.0 99.34967 17.0 99.446136 20.0 99.97168 17.0 101.023369 28.0 106.682838 20.0 110.578987 22.0 113.475197 19.0 114.575508 28.0 114.632156 20.0 116.248062 18.0 119.033463 44.0 119.280571 18.0 120.086937 23.0 126.022774 17.0 126.356094 18.0 128.041382 18.0 130.931061 26.0 138.526535 17.0 144.125015 27.0 144.918732 21.0 155.578613 29.0 161.044662 17.0 165.887344 29.0 175.347778 20.0 176.148163 36.0 179.047333 24.0 185.561783 18.0 185.704865 23.0 189.968689 28.0 193.04776 23.0 193.404617 17.0 196.37352 19.0 205.015503 18.0 205.062866 44.0 220.581009 20.0 220.758713 18.0 221.051254 18.0 221.649521 20.0 224.986969 24.0 225.147339 18.0 225.203522 27.0 235.712387 20.0 247.147583 23.0 254.878357 19.0 260.263641 27.0 261.958282 18.0 263.074829 23.0 263.5336 23.0 267.157257 18.0 279.615784 22.0 292.566864 19.0 305.057861 20.0 309.755859 22.0 316.187531 22.0 316.279449 21.0 322.046753 22.0 330.860687 24.0 343.046631 18.0 367.139008 21.0 371.629089 20.0 379.227142 21.0 384.923157 28.0 393.823853 26.0 404.104462 1842.0 405.105042 215.0 406.102844 44.0 407.065582 17.0 409.50885 20.0 418.092377 31.0 423.730682 18.0 429.958618 20.0 445.009064 83.0 452.889526 22.0 453.718079 27.0 459.270966 18.0 485.406281 18.0 488.154266 18.0 509.336884 18.0 517.597839 24.0 556.326233 18.0 556.97876 21.0 607.234009 19.0 611.949646 27.0 647.845825 18.0 680.494141 18.0 683.220825 44.0 685.231262 42.0 735.499023 18.0 841.733398 18.0 844.194275 19.0 886.223389 17.0 894.479004 21.0 898.755798 18.0 934.171143 21.0 988.066345 20.0 999.873535 18.0 1025.290161 24.0 1025.372559 22.0 1027.346558 18.0 1047.79895 21.0 1098.874756 21.0 1099.38208 18.0 1112.16748 18.0 1147.759399 22.0 1176.711914 29.0 1195.395142 20.0 1197.169556 21.0 END IONS BEGIN IONS SCANS=324 PEPMASS=377.08532 CHARGE=-1 COLLISION_ENERGY=0.0 59.014145 162.0 60.019791 17.0 65.160034 17.0 69.035461 18.0 71.012505 174.0 73.028221 155.0 73.648315 22.0 75.006599 17.0 81.038628 40.0 83.013412 39.0 85.026115 18.0 87.005836 22.0 89.024254 412.0 90.028145 23.0 93.225037 20.0 95.022087 52.0 95.728516 18.0 97.030693 260.0 101.023354 1153.0 102.036125 32.0 110.055771 21.0 113.025398 144.0 114.949097 81.0 115.038795 42.0 115.95089 38.0 119.035095 462.0 120.033127 17.0 121.041557 19.0 123.752808 22.0 125.024803 63.0 128.235733 18.0 129.220093 17.0 131.033112 64.0 141.014694 19.0 142.588303 18.0 143.034637 272.0 144.041245 21.0 145.676544 17.0 149.047119 61.0 155.034256 17.0 158.940475 59.0 160.934723 18.0 161.045242 1395.0 161.777679 18.0 162.017426 18.0 162.047958 171.0 165.531586 18.0 179.056 916.0 180.059799 35.0 181.078674 38.0 185.04863 18.0 185.172653 25.0 188.953659 36.0 199.985809 25.0 202.924026 36.0 203.934296 50.0 215.013901 22.0 217.80545 22.0 221.06575 1665.0 222.057846 18.0 223.073624 19.0 223.71138 20.0 240.475906 24.0 245.283096 51.0 253.087906 19.0 256.763855 22.0 263.078094 243.0 263.245728 17.0 263.765778 17.0 265.089447 18.0 270.865906 22.0 271.015839 18.0 271.863556 18.0 271.98288 35.0 275.075958 20.0 279.900177 22.0 281.088593 225.0 282.08905 37.0 293.734558 20.0 301.883057 22.0 302.099335 26.0 304.236145 18.0 305.309601 18.0 341.112915 54.0 342.119019 21.0 343.123108 197.0 344.128662 48.0 344.85437 20.0 363.014984 18.0 376.05307 22.0 377.084961 661.0 377.132141 18.0 378.063873 20.0 378.091583 68.805031 379.088074 336.0 379.233948 18.0 380.092804 42.0 453.692749 21.0 524.201843 24.0 548.521179 18.0 561.582092 17.0 712.237122 18.0 1185.293213 18.0 END IONS BEGIN IONS SCANS=325 PEPMASS=221.06585 CHARGE=0 COLLISION_ENERGY=0.0 57.034203 18.0 59.013695 232.0 59.035778 22.0 71.012932 294.0 71.082108 18.0 73.028374 132.0 75.011101 29.0 83.013718 100.0 85.030655 168.0 87.007416 72.0 89.025871 19.0 91.027924 18.0 94.039246 21.0 95.015549 95.0 99.009544 56.0 100.978493 23.0 101.02433 408.0 111.473358 22.0 113.022552 145.0 122.063339 26.0 131.032608 41.0 141.018692 18.0 143.898346 38.0 159.031372 73.0 161.913864 18.0 177.040421 24.0 177.900406 17.0 178.996277 20.0 179.073151 18.0 184.432404 26.0 193.013611 17.0 210.353409 23.0 221.029373 17.0 221.068802 163.0 221.154694 27.000002 222.019348 32.0 222.067612 70.0 223.096176 17.0 225.303284 33.0 235.666855 19.0 240.962311 21.0 309.385345 26.0 340.997375 18.0 359.395325 20.0 361.892792 22.0 426.711548 19.0 502.299896 18.0 650.17804 20.0 END IONS BEGIN IONS SCANS=326 PEPMASS=179.05543 CHARGE=0 COLLISION_ENERGY=0.0 52.536495 32.0 56.995964 25.0 59.016453 22.0 63.247169 32.0 71.012726 18.0 71.048752 48.0 75.007881 196.0 75.877647 51.0 83.014618 21.0 86.999306 18.0 87.009949 50.134678 97.028595 49.0 99.005608 27.0 99.045006 19.0 101.726616 18.0 111.010956 19.0 119.967506 24.0 122.954178 22.0 123.008141 20.0 125.027679 21.0 127.642509 20.0 132.972397 56.0 134.985992 40.0 138.580002 21.0 143.036255 27.0 147.892136 18.0 162.033829 22.0 169.505157 18.0 179.053665 220.34549 181.054642 18.0 188.577942 19.0 198.49675 18.0 201.768784 18.0 211.965393 29.0 213.431931 21.0 219.657181 21.0 222.643402 19.0 230.511292 18.0 235.238846 18.0 246.843124 18.0 248.113815 18.0 265.547546 19.0 268.108124 20.0 276.453583 22.0 281.66275 53.0 281.713043 18.0 295.705566 19.0 313.399902 19.0 393.508545 35.0 432.43515 28.0 444.035126 30.0 460.6875 19.0 480.819824 17.0 505.467316 17.0 521.067017 52.999996 632.752197 30.0 737.303345 18.0 END IONS BEGIN IONS SCANS=327 PEPMASS=102.05555 CHARGE=0 COLLISION_ENERGY=0.0 52.287212 20.0 52.308304 20.0 53.044533 20.0 53.653427 18.0 53.897953 17.0 54.280201 20.0 55.208591 17.0 55.490559 18.0 55.522705 25.0 57.440701 21.0 58.274639 20.0 60.069138 18.0 60.078274 20.0 60.103191 18.0 63.010284 24.0 63.089947 31.0 63.558281 21.0 64.09491 18.0 65.065208 20.0 65.595932 19.0 65.881332 19.0 66.499947 23.0 66.924065 18.0 67.750717 20.0 67.926537 18.0 68.934669 30.0 71.259888 20.0 73.034889 17.0 73.507996 26.0 74.186195 23.0 75.634201 20.0 77.369751 21.0 78.725685 17.0 78.797188 24.0 82.675339 21.0 83.194633 21.0 88.428627 17.0 89.074852 23.0 89.760117 27.0 90.556511 17.0 94.214386 17.0 95.027954 30.0 95.615257 20.0 96.109741 28.0 97.996552 26.0 98.112923 22.0 98.886353 18.0 99.195717 19.0 100.536003 17.0 102.055748 163.0 102.26548 19.0 102.823769 20.0 103.526962 26.0 103.703316 20.0 106.748772 35.0 109.064713 28.0 109.733475 29.0 110.98481 17.0 111.664711 36.0 111.966148 18.0 113.878334 27.0 114.796448 31.0 116.829521 29.0 118.84671 20.0 120.016273 24.0 120.431175 17.0 121.083099 18.0 123.449776 18.0 123.815796 27.0 125.596909 24.0 127.769081 18.0 133.700806 21.0 136.826981 20.0 140.368301 66.0 144.081757 18.0 147.257965 21.0 148.804169 20.0 151.513397 17.0 153.306 22.0 154.154877 20.0 156.396744 19.0 158.781189 18.0 160.844116 17.0 164.461014 18.0 167.072769 23.0 167.804596 20.0 172.569031 21.0 186.477371 19.0 191.64679 30.0 192.910767 29.0 193.024139 23.0 193.201706 20.0 195.469482 20.0 195.84317 18.0 200.239517 38.0 200.863358 23.0 202.176651 18.0 203.260452 27.999998 203.659698 24.0 204.436554 23.0 210.087479 22.0 215.776154 29.0 219.710983 22.0 221.089264 22.0 231.427933 28.0 231.556259 29.0 234.068192 20.0 241.247818 20.0 241.695862 18.0 242.3134 23.0 252.348053 24.0 259.90152 18.0 261.209473 22.0 264.97464 19.0 268.764404 23.0 270.975861 20.0 275.592316 22.0 279.186127 18.0 284.569977 18.0 285.447998 19.0 298.634796 27.0 298.72171 18.0 305.246307 29.0 305.343414 18.0 310.161804 22.0 328.210846 21.0 336.38559 19.0 386.702698 18.0 423.067078 22.0 476.774536 18.0 488.162872 52.0 500.366364 26.0 515.849854 18.0 556.45636 17.0 640.184753 53.0 784.440308 30.0 841.157654 25.0 994.207092 18.0 1015.240234 18.0 1023.284058 17.0 1024.301514 47.0 1053.196777 17.0 1079.81311 20.0 1087.917114 18.0 1090.20459 27.0 1125.274292 18.0 1158.146851 18.0 1166.731812 21.0 1177.296875 18.0 END IONS BEGIN IONS SCANS=328 PEPMASS=128.03483 CHARGE=0 COLLISION_ENERGY=0.0 50.024029 23.0 51.330559 20.0 51.675449 18.0 53.208874 18.0 53.303123 25.0 54.743908 18.0 55.256264 24.0 56.1189 20.0 57.103931 20.0 57.828426 18.0 57.98111 26.0 58.032158 27.0 58.109215 18.0 58.695026 20.0 59.173443 40.0 59.496307 43.0 60.422688 22.0 60.437035 20.0 61.001141 18.0 61.07925 39.0 61.62479 20.0 63.214226 17.0 63.427383 24.0 64.24865 20.0 64.778404 22.0 65.318176 22.0 65.787285 24.0 67.814308 33.0 68.140839 28.0 68.726135 23.0 70.776115 21.0 74.445312 20.0 74.982376 17.0 77.120026 18.0 78.583794 22.0 79.79612 32.0 80.376488 21.0 81.109711 26.0 81.367935 25.0 81.486771 18.0 81.890388 19.0 82.108887 40.0 82.449623 25.0 82.644684 54.0 82.890282 22.0 84.824371 28.0 85.115555 18.0 85.137932 22.0 85.646049 22.0 85.700439 20.0 85.898277 22.0 86.682983 33.0 87.522568 20.0 87.564171 21.0 90.617104 30.0 90.786156 18.0 92.529533 18.0 93.069733 28.0 98.207977 20.0 98.929199 21.0 99.267563 20.0 99.734535 18.0 99.875298 20.0 99.940269 22.0 101.372604 18.0 103.58033 22.0 104.776596 18.0 105.078873 18.0 105.116768 21.0 107.467834 23.0 107.817719 19.0 111.736931 20.0 112.267967 30.0 113.037979 26.0 114.018967 18.0 115.101425 19.0 115.886627 26.0 115.950211 38.0 116.135567 20.0 118.353241 57.0 118.808968 20.0 118.902725 21.0 119.818787 21.0 120.691872 20.0 121.249863 20.0 122.956284 19.0 127.299126 17.0 128.034439 73.0 129.01944 36.0 129.034836 18.0 131.046829 18.0 135.440292 23.0 138.26297 29.0 138.278854 35.0 139.007858 26.0 139.483582 18.0 139.749512 20.0 139.978775 18.0 146.04631 60.0 147.296097 19.0 148.038818 18.0 150.149261 26.0 154.157547 18.0 154.791824 18.0 155.579025 18.0 159.977127 24.0 163.058624 22.0 163.095123 20.0 163.387711 18.0 163.946899 23.0 164.318237 22.0 164.760483 28.0 168.616547 30.0 171.373047 34.0 172.777863 27.0 177.883911 18.0 178.939713 25.0 188.934296 18.0 189.039734 18.0 190.83844 18.0 191.354599 24.0 197.618774 22.0 197.758987 37.0 200.240067 45.0 201.392883 17.0 203.328674 18.0 207.872421 22.0 211.147018 18.0 216.132614 18.0 216.493576 21.0 220.512436 27.0 220.999741 22.0 226.099899 48.0 230.658661 38.0 233.901138 26.0 236.879303 25.0 240.111816 20.0 240.746048 18.0 250.822495 24.0 261.035065 27.0 271.813171 20.0 274.92218 30.0 277.859589 18.0 280.700592 25.0 287.526825 17.0 287.749969 33.0 289.395508 20.0 289.978302 18.0 290.023254 18.0 291.876953 19.0 292.640564 22.0 293.837585 20.0 299.358429 20.0 300.817719 18.0 322.718414 24.0 322.890381 18.0 324.835327 18.0 336.916779 17.0 337.501923 18.0 353.03363 20.0 362.877747 17.0 366.434021 27.0 386.755432 19.0 400.539612 20.0 419.007812 22.0 456.477936 23.0 465.073456 30.0 468.842285 52.0 488.163727 37.0 505.299805 22.0 510.139465 18.0 520.404785 17.0 528.079346 31.0 529.411072 18.0 570.580322 20.0 585.899414 18.0 616.764038 23.0 701.168335 18.0 703.138794 20.0 716.135193 18.0 721.094788 18.0 732.118164 17.0 793.206116 18.0 802.125488 20.0 803.14856 17.0 807.151245 18.0 807.67926 18.0 813.000671 18.0 820.082947 18.0 827.625061 18.0 891.642761 56.999996 892.190063 19.0 902.143188 43.0 917.345032 18.0 922.990173 18.0 942.407349 18.0 960.222412 28.0 971.481323 30.0 993.127197 17.0 1027.076294 18.0 1030.214355 17.0 1042.146606 23.0 1055.192261 32.0 1070.448975 18.0 1077.237305 19.0 1080.202759 22.0 1082.379272 54.0 1083.126343 32.0 1102.190308 20.0 1106.119019 18.0 1127.329102 48.000004 1131.819336 30.0 1139.28186 24.0 1140.793701 23.0 1146.726929 19.0 1155.061523 17.0 1166.250732 20.0 1182.30957 17.0 1182.668701 18.0 1191.140747 18.0 1196.358643 18.0 1198.786743 33.0 END IONS BEGIN IONS SCANS=329 PEPMASS=852.26051 CHARGE=-1 COLLISION_ENERGY=0.0 56.589363 22.0 59.286022 26.0 65.895599 28.0 115.330254 28.0 129.360733 20.0 146.049988 51.0 166.885895 18.0 167.047913 20.0 168.027252 4724.0 169.005356 18.0 169.027985 300.0 169.158066 18.0 184.208649 18.0 228.037125 18.0 236.051254 32.0 245.120987 17.0 258.06192 18.0 271.746857 18.0 283.096619 25.0 286.936646 28.0 303.753632 17.0 312.067688 42.0 321.129486 20.0 331.311951 19.0 348.084473 55.0 390.10257 103.0 420.103546 30.0 483.056824 21.0 510.141998 7750.0 510.238708 18.0 510.636871 22.0 511.146667 1371.0 511.233673 22.0 511.464447 23.0 512.106506 42.797661 512.146118 253.377792 512.633606 19.0 513.144958 129.0 514.134766 22.0 532.122314 17.0 595.705688 20.0 792.45874 23.0 794.50946 20.0 852.268677 76.0 853.485962 18.0 END IONS BEGIN IONS SCANS=330 PEPMASS=146.0454 CHARGE=-1 COLLISION_ENERGY=0.0 54.98642 23.0 55.021687 18.0 68.276535 18.0 71.012825 60.0 72.208496 20.0 72.66095 20.0 73.550613 17.0 74.024673 205.0 75.018967 18.0 77.707443 24.0 82.025597 26.0 84.042244 103.0 85.029274 334.0 86.022209 23.314707 86.030716 40.504631 86.541054 30.0 86.694054 18.0 89.974541 19.0 98.056107 18.0 99.570984 17.0 100.010712 22.0 100.038986 41.0 100.935608 35.0 101.023827 111.0 101.644173 34.0 102.016037 18.0 102.055801 10548.380859 102.158234 24.0 102.187904 19.0 102.223686 23.0 102.289162 24.0 102.72036 20.0 103.057762 533.830994 103.401108 17.0 103.471039 18.0 103.561737 28.0 103.876114 18.0 103.912781 18.0 103.928635 19.0 104.058167 19.0 104.26516 23.0 105.09745 21.0 109.046288 22.0 117.958801 18.0 128.035126 4927.0 128.624283 19.0 129.018661 235.262283 129.039185 457.737701 130.018005 24.0 130.04068 45.0 133.174591 20.0 134.918732 30.0 140.327896 23.0 145.053299 17.0 146.045471 4114.0 146.092667 18.0 146.34317 20.0 146.791733 18.0 147.050629 293.418793 147.461212 18.0 148.033066 42.905136 148.050827 38.0 148.666 28.0 150.053238 39.0 151.323074 17.0 154.123657 18.0 163.515854 20.0 167.846786 26.0 171.313553 17.0 174.812485 18.0 175.255875 23.0 176.503967 35.0 178.649536 22.0 194.199036 22.0 196.408035 33.0 228.220276 31.0 231.883575 17.0 256.355164 20.0 260.873566 18.0 278.064667 18.0 280.690918 29.000002 280.903564 17.0 281.502167 18.0 282.998566 22.0 289.488159 17.0 313.718445 23.0 354.470428 20.0 363.389374 32.0 533.365479 28.0 588.40918 27.000002 END IONS BEGIN IONS SCANS=331 PEPMASS=541.1171 CHARGE=0 COLLISION_ENERGY=0.0 78.958984 173.0 84.090538 21.0 88.761215 18.0 88.832275 59.0 89.021324 26.0 96.967911 39.0 111.040245 19.0 131.045609 20.0 150.980576 18.0 152.994873 3606.0 153.997513 143.0 154.301346 18.0 156.559311 17.0 157.232208 24.0 171.008286 362.770416 180.986374 20.0 184.484818 23.0 196.064941 20.0 198.048584 25.0 199.000534 7247.0 199.038254 43.0 199.061996 18.0 199.094986 27.0 199.264557 21.0 199.974716 43.0 200.002396 322.0 200.067963 18.0 200.973358 24.0 201.00621 77.0 201.029663 38.0 201.113785 31.0 202.074554 18.0 202.223694 25.0 202.570526 20.0 212.571594 25.0 213.970673 20.0 216.004288 24.0 241.976517 22.0 253.984512 41.0 259.99292 48.0 269.983215 20.0 275.991516 18.0 294.961365 20.0 341.103058 25.0 353.828949 28.0 369.011139 20.0 395.025299 47.0 396.037018 60.0 407.285767 17.0 412.030487 29.0 420.052612 20.0 492.41214 20.0 524.055298 41.0 540.088501 18.0 541.112793 39.0 542.064941 40.0 543.118347 44.0 543.259583 18.0 END IONS BEGIN IONS SCANS=332 PEPMASS=223.04526 CHARGE=0 COLLISION_ENERGY=0.0 50.033932 24.0 51.162697 17.0 51.852325 17.0 53.676922 18.0 55.370239 17.0 55.850765 22.0 56.217812 31.0 56.252483 33.0 56.445713 18.0 56.99844 20.0 57.02972 18.0 57.196411 33.0 57.447613 20.0 57.617031 30.0 58.012932 61.0 59.01371 224.0 59.093678 19.0 60.017651 18.0 60.984512 20.0 64.870613 20.0 66.011368 20.0 66.178261 17.0 66.460823 22.0 67.454758 18.0 67.646553 19.0 67.762917 31.0 69.364746 20.0 71.012238 255.0 71.219681 19.0 71.390648 18.0 72.015106 20.0 72.990387 59.0 73.339508 29.0 74.206284 20.0 74.925545 20.0 75.007149 500.678345 75.326942 18.0 75.7668 26.0 76.011909 52.0 76.284653 18.0 76.332314 17.0 77.015129 18.0 77.260963 20.0 77.743263 20.0 78.110916 18.0 79.435104 21.0 80.351364 17.0 81.002892 22.0 81.295959 20.0 83.583313 26.0 84.02549 19.0 85.027885 215.0 85.828247 19.0 87.008957 224.0 87.558983 30.0 87.603157 18.0 89.023872 93.0 94.028328 18.0 97.029579 21.0 97.163116 22.0 97.189415 20.0 97.281052 20.0 99.007645 273.0 99.04245 18.0 99.837578 20.0 100.011009 42.0 100.234901 22.0 101.020119 23.0 101.032623 35.0 102.501472 18.0 104.850761 18.0 106.45977 20.0 106.931824 37.0 107.217369 50.0 110.035027 18.0 111.006538 22.0 113.026199 22.0 114.345451 18.0 114.445282 17.0 117.014732 18.0 117.05024 49.0 119.051422 18.0 128.308975 22.0 129.018906 536.0 130.019806 102.0 130.906052 46.0 131.020309 18.0 131.579681 19.0 132.43306 21.0 132.93515 18.0 133.007126 24.0 133.046875 18.0 134.079987 21.0 135.370193 39.0 135.511749 20.0 136.02211 24.0 136.794922 20.0 136.900269 18.0 137.060379 20.0 138.774826 26.0 139.007553 26.0 139.04155 18.0 140.515259 20.0 141.018234 60.0 142.112656 22.0 146.042969 19.0 154.981598 18.0 155.290512 20.0 156.068192 18.0 157.464859 25.0 157.873688 23.0 159.029236 164.0 160.173889 41.0 160.628952 26.0 161.043854 37.0 162.052826 22.0 162.310425 19.0 164.371338 22.0 168.929901 23.0 175.279358 26.0 177.04187 809.0 177.819199 24.0 177.838043 21.0 178.045212 17.0 179.057861 310.0 179.312927 22.0 179.513916 26.0 180.231186 40.0 182.446274 18.0 191.172699 21.0 193.029251 20.0 195.051804 185.0 196.054871 20.0 198.159866 20.0 202.582474 26.0 203.800552 28.0 206.605591 18.0 206.741577 19.0 206.998825 22.0 216.039047 41.0 216.516357 35.0 219.048553 19.0 219.921066 30.0 220.886642 26.0 223.047256 518.0 224.050995 84.0 225.041367 24.0 225.063812 83.616585 227.061066 22.0 231.541885 20.0 233.869705 22.0 242.556122 21.0 249.947662 18.0 253.798508 21.0 254.567291 17.0 256.198792 18.0 260.768005 21.0 267.779572 22.0 278.425171 25.0 281.092133 21.0 284.984131 20.0 296.374359 32.0 301.681458 21.0 308.191681 17.0 312.162811 20.0 337.423309 21.0 339.946747 36.0 373.810211 18.0 396.596344 26.0 400.122559 20.0 409.441742 24.0 424.454742 23.0 435.561401 18.0 440.867371 18.0 488.155334 28.0 496.365784 27.0 511.140045 18.0 569.873413 22.0 590.444763 18.0 606.164368 18.0 610.036072 23.0 620.199158 23.0 630.119324 20.0 683.217346 18.0 700.174072 18.0 734.647766 21.0 830.87616 21.0 857.442383 22.0 874.253723 20.0 923.941162 17.0 1001.500549 21.0 1023.289734 21.0 1055.253052 18.0 1105.068237 17.0 1121.221558 18.0 1122.144165 18.0 1125.817017 21.0 1162.274536 31.0 1194.36499 18.0 END IONS BEGIN IONS SCANS=333 PEPMASS=488.16186 CHARGE=-1 COLLISION_ENERGY=0.0 56.049374 31.000002 57.035866 21.0 59.011654 18.0 59.209927 17.0 71.009369 38.0 74.023842 59.0 75.028702 23.0 75.312019 22.0 82.025635 38.0 84.042793 22.0 85.029488 151.0 86.299248 22.0 87.009766 51.0 88.036644 20.0 89.022011 29.0 90.025635 21.0 100.042244 66.0 101.024101 1036.0 101.802811 18.0 101.961098 18.0 102.018127 62.92144 102.030846 94.07856 102.055214 17965.271484 102.102409 56.0 102.164536 18.0 102.301361 17.0 102.320259 18.0 102.356018 18.0 102.761246 19.0 102.789749 17.0 103.025276 35.0 103.058624 938.028198 103.193687 17.0 103.215202 23.0 104.000763 18.0 104.060768 21.0 105.750252 28.0 110.022835 24.0 112.885735 18.0 118.051727 21.0 119.515839 24.0 121.61647 17.0 127.050827 139.0 127.487389 22.0 128.008789 33.853863 128.034561 27189.0 128.08728 35.0 128.244232 18.0 128.473297 20.0 128.503464 24.0 128.581375 19.0 128.612015 25.0 128.633133 26.0 128.699036 30.0 129.017654 379.150452 129.037552 1804.682861 129.181702 19.0 129.214752 18.0 129.271454 29.0 129.36496 17.0 129.442917 18.0 129.577164 30.0 129.833374 19.0 130.021988 19.0 130.036423 55.0 130.995956 17.0 131.034836 140.0 131.633072 31.0 131.736069 18.0 131.986511 28.0 132.349442 19.0 132.810272 19.0 134.513245 19.0 137.749283 24.0 138.812027 18.0 141.754639 18.0 142.880173 20.0 143.876862 25.0 143.908707 24.0 143.946884 89.0 143.989838 23.0 144.009354 18.0 144.027161 18.0 144.03923 20.0 144.118134 17.0 144.926254 40.0 144.947433 20.0 145.012756 2484.0 145.060318 2090.902588 145.086746 39.0 145.2444 17.0 145.365875 20.0 145.479736 22.0 145.652054 26.0 145.791214 18.0 145.824097 20.0 145.927246 18.0 145.949341 29.0 145.980347 45.0 146.013657 254.0 146.04538 253034.0 146.100464 17654.0 146.153748 68.0 146.180847 4010.0 146.219955 319.0 146.242233 1317.0 146.281311 90.898666 146.311508 17.566486 146.330994 22.0 146.345367 17.0 146.381439 18.0 146.423737 60.0 146.450836 21.0 146.487503 20.0 146.522247 18.0 146.548859 18.0 146.570724 36.0 146.606079 41.181469 146.61795 36.267052 146.660065 24.213497 146.678787 64.067627 146.704651 57.269024 146.736649 132.0 146.756516 53.0 146.795425 419.0 146.832352 93.402222 146.853149 106.051949 146.870163 35.0 146.902542 94.0 146.941742 37.0 146.972061 17.0 146.995316 20.0 147.048309 17893.390625 147.229843 35.0 147.245041 55.588383 147.261963 30.411617 147.28717 22.0 147.322372 21.531258 147.346695 18.0 147.372742 35.0 147.40097 33.991447 147.415543 78.008553 147.431763 37.0 147.46843 84.0 147.500504 71.988068 147.521286 44.011936 147.589966 56.0 147.753876 20.0 147.886887 48.489681 147.909607 63.0 147.937546 75.0 147.961853 18.0 148.012146 18.0 148.049667 3250.652832 148.138214 53.0 148.160339 19.0 148.193176 18.0 148.249619 18.0 148.317413 18.0 148.379288 39.0 148.437775 39.0 148.53981 87.0 148.578812 18.0 148.596283 18.0 148.649048 86.0 148.677536 20.0 148.699051 18.0 148.742233 18.0 148.808624 21.0 148.830078 17.0 148.933502 25.0 149.014725 24.0 149.044815 495.336395 149.070175 51.953018 149.192352 18.0 149.287201 18.0 149.302826 22.0 149.32872 31.0 149.462067 42.0 149.587082 19.0 149.633331 18.0 149.657974 18.0 149.735382 18.0 149.823639 17.0 149.876877 36.0 150.004776 33.0 150.052292 17.0 150.100052 26.0 150.354614 19.0 150.394516 18.0 150.447159 22.0 150.751846 17.0 150.794785 18.0 150.934006 19.0 150.981918 18.0 151.368332 22.0 151.444717 20.0 151.523727 20.0 151.562119 21.0 151.66095 17.0 151.78891 18.0 152.046997 23.0 152.227158 20.0 152.569046 19.0 152.867523 18.0 153.63446 19.0 154.164276 17.0 155.585495 20.0 156.159317 28.0 158.778763 17.0 168.894104 17.0 171.955048 27.0 173.515396 18.0 179.054077 18.0 183.15567 20.0 195.266418 18.0 216.967728 34.0 218.990295 20.0 234.399155 27.0 246.130295 19.0 248.010071 18.0 248.809265 18.0 253.015549 17.0 255.651382 18.0 259.104614 21.0 266.489868 17.0 267.953278 18.0 270.921844 28.0 274.391418 19.0 275.390076 25.0 276.470123 20.0 280.604126 35.0 283.10849 20.0 288.925262 20.0 298.913727 21.0 315.07135 18.0 341.113342 43.0 343.103088 17.0 357.155731 20.0 393.007965 18.0 395.028381 56.0 399.023773 23.0 420.906311 22.0 429.250061 18.0 468.98465 36.0 469.460358 21.0 473.296631 19.0 481.636108 18.0 487.01944 24.0 487.188873 53.0 487.996063 18.0 488.16037 261.0 489.001068 21.0 489.170502 87.0 489.237122 18.0 491.36319 21.0 544.866821 17.0 837.769409 18.0 994.723267 18.0 1025.315918 37.0 1097.819824 19.0 END IONS BEGIN IONS SCANS=334 PEPMASS=179.05555 CHARGE=0 COLLISION_ENERGY=0.0 51.182304 18.0 51.956493 38.0 53.563568 20.0 53.807411 35.0 54.116062 20.0 54.450436 18.0 54.683319 37.0 54.819485 51.0 54.873859 17.0 56.114586 28.0 58.333427 21.0 59.014748 58.0 62.506214 20.0 62.979446 22.0 66.334 22.0 68.469101 22.0 69.363548 28.0 69.995323 19.0 71.013168 83.0 74.064438 28.0 75.006447 24.0 76.04055 17.0 76.728378 18.0 78.3517 22.0 80.966354 56.0 81.57296 18.0 81.746544 20.0 83.933495 37.0 85.029472 36.0 85.455116 21.0 85.677505 24.0 86.184029 18.0 87.876022 28.0 89.132416 21.0 89.169693 18.0 89.311226 20.0 92.179909 20.0 93.503555 18.0 94.033188 40.0 96.689316 21.0 96.985352 19.0 97.028664 35.0 99.007797 20.0 99.603333 18.0 99.934227 20.0 100.651741 20.0 102.613144 26.0 103.449287 20.0 104.383629 25.0 104.4291 24.0 107.40271 53.0 107.712212 27.0 108.022705 17.0 108.045731 53.0 108.785263 17.0 110.854095 18.0 111.008301 28.0 111.036575 17.0 112.264069 23.0 112.758377 23.0 114.211945 24.0 114.279907 34.0 116.895233 30.0 117.960709 18.0 118.867195 48.0 120.03643 25.0 120.784233 22.0 122.757378 26.0 123.811378 22.0 124.260292 22.0 125.026665 20.0 126.396141 22.0 127.298805 21.0 129.018539 20.0 130.254715 20.0 131.035538 17.0 132.365906 18.0 132.4104 21.0 138.109375 25.0 138.323303 17.0 139.501785 17.0 139.950439 18.0 140.380569 31.0 140.72702 17.0 141.561462 22.0 143.014038 20.0 146.044754 109.0 146.08519 24.0 147.989075 33.0 148.050522 20.0 152.231079 24.0 154.454514 22.0 155.888077 34.0 156.442108 39.0 157.352219 22.0 158.416992 18.0 160.760452 20.0 161.04512 62.0 163.047638 17.0 165.248062 19.0 168.024979 25.0 170.285629 18.0 172.878937 17.0 178.852249 18.0 179.053131 37.0 179.363663 22.0 183.029022 20.0 192.114456 22.0 192.509598 19.0 192.604065 20.0 193.196732 20.0 197.024796 17.0 197.55722 22.0 200.31781 18.0 201.372055 25.0 206.98793 24.0 207.266296 37.0 209.150513 19.0 210.919662 25.0 211.109207 22.0 213.04689 19.0 213.852829 20.0 216.944061 28.0 219.817566 25.0 223.135193 18.0 224.029602 18.0 225.75119 24.0 227.05603 51.0 230.851685 24.0 236.786957 20.0 237.214783 21.0 239.023926 22.0 243.675156 27.0 251.330078 23.0 256.752533 20.0 266.155182 23.0 267.012085 17.0 269.28949 17.0 273.022766 20.0 273.319366 25.0 274.718384 22.0 281.050201 17.0 294.73996 29.0 305.617828 24.0 308.622833 20.0 310.108856 20.0 311.705322 18.0 315.988068 18.0 323.891327 22.0 341.116089 28.0 344.534119 20.0 344.653656 22.0 348.841675 18.0 373.026093 18.0 377.08078 21.0 387.122681 17.0 398.70285 18.0 413.662231 29.0 429.100311 36.0 431.536804 18.0 435.312744 25.0 446.811615 18.0 488.167328 85.392212 509.378632 17.0 532.114563 18.0 539.985596 21.0 552.297363 22.0 566.237183 18.0 593.119202 18.0 605.150269 21.0 619.445435 18.0 652.461914 17.0 683.223389 20.0 717.251892 18.0 820.66095 34.0 858.235718 18.0 954.396912 18.0 999.519287 18.0 1024.323486 31.0 1031.303833 22.0 1074.356567 20.0 1085.345825 27.0 1098.861816 20.0 1099.365234 27.0 1100.850098 23.0 1136.2677 39.0 1170.788818 19.0 1173.303223 23.0 1184.910034 27.0 1194.393677 23.0 1195.693726 29.0 1198.848633 21.0 END IONS BEGIN IONS SCANS=335 PEPMASS=511.14301 CHARGE=-1 COLLISION_ENERGY=0.0 78.957863 1563.0 79.34269 18.0 80.09845 18.0 87.011795 26.0 96.969154 61.0 98.034233 22.0 100.08094 19.0 119.948341 113.0 124.973846 20.0 127.005173 65.0 127.075668 17.0 145.010269 19.0 151.019272 29.0 159.897751 24.0 162.891678 22.0 166.054657 58.0 166.57016 18.0 166.617371 19.0 167.009659 283.0 168.028366 618.0 168.051651 49.088657 168.984528 62.0 169.026505 15183.352539 169.077576 22.0 169.117416 18.0 169.84285 20.0 170.031418 528.0 170.668167 19.0 170.990753 52.191429 171.005661 60.808571 171.031937 169.0 171.067139 113.0 171.374664 18.0 171.948868 25.0 172.011734 26.0 172.031677 34.0 172.066025 20.0 172.535919 23.0 173.010239 39.0 184.369507 18.0 187.442093 18.0 247.058777 21.0 252.154938 18.0 291.580383 24.0 329.776947 22.0 341.108368 34.0 345.061768 23.0 347.889099 18.0 368.767578 27.0 373.074066 18.0 429.102753 25.0 440.174744 18.0 475.826569 18.0 484.986755 20.0 500.131104 17.0 510.15863 36.0 511.142883 364.174438 512.150818 117.0 514.148987 23.0 541.365417 18.0 663.466492 17.0 825.425476 18.0 END IONS BEGIN IONS SCANS=336 PEPMASS=533.13515 CHARGE=-1 COLLISION_ENERGY=0.0 55.018124 160.0 57.034443 104.0 57.057999 22.0 59.013493 589.432251 59.035645 21.0 62.595394 18.0 71.012817 466.0 71.520927 21.0 71.797333 17.0 72.992584 872.0 73.028633 336.0 73.055656 17.0 74.02327 22.0 76.009583 17.0 81.033104 22.0 83.00985 18.0 84.908272 17.0 85.029007 9739.561523 85.429626 18.0 85.586555 18.0 85.744087 17.0 85.891869 22.0 86.03138 305.0 87.026657 17.0 87.035553 18.0 88.038887 22.0 88.168182 18.0 89.023933 1270.0 90.028282 42.0 95.01152 45.0 99.009781 37.0 99.040779 18.0 101.005051 23.0 101.024139 731.0 102.030746 94.0 102.047722 19.0 102.091133 17.0 103.003571 1144.0 104.006187 35.0 105.018929 342.0 105.520706 56.0 106.019562 20.0 111.012192 22.0 112.038841 39.0 113.024689 1767.0 113.505516 17.0 113.59938 25.0 114.024864 37.0 115.001289 46.0 115.18959 20.0 115.853363 18.0 119.036911 112.0 119.9786 22.0 122.060722 24.0 124.483849 22.0 129.018661 696.0 129.381378 18.0 129.759476 18.0 130.022858 85.82592 131.034531 1502.478882 132.035965 92.0 133.016281 96.0 136.733231 20.0 140.775726 18.0 141.016998 32.0 143.034866 18.0 146.148621 24.0 146.958847 38.0 147.029266 1291.0 147.705948 17.0 148.033859 130.0 149.044693 122.0 150.056091 80.0 157.014252 182.0 163.02504 134.0 163.355118 18.0 164.028 46.0 165.039307 312.0 165.062592 29.0 166.05127 18.0 172.47673 18.0 175.024689 715.0 175.061905 42.0 175.94574 19.0 176.439926 18.0 186.81987 18.0 188.748138 40.0 189.497589 19.0 190.039719 38.0 190.074188 17.0 190.297623 21.0 190.671677 17.0 190.701187 17.0 190.986862 27.0 191.01915 26976.691406 191.055084 81.57692 191.078415 64.0 191.459351 23.0 191.481857 18.0 192.023056 2333.533936 192.054794 42.0 192.082108 18.0 192.17923 18.0 192.712036 20.0 192.766205 18.0 192.86058 17.0 192.937408 18.0 192.983292 17.0 193.034698 20464.087891 193.072037 407.0 193.106339 50.0 193.217117 35.0 193.777435 18.0 194.038925 1346.436768 194.075089 18.0 194.23555 20.0 194.33786 20.0 194.443192 17.0 194.524109 18.0 195.044998 859.139771 195.101303 17.0 195.256287 18.0 195.453125 24.0 195.502731 22.0 195.554382 17.0 195.782883 18.0 198.787094 17.0 200.574203 18.0 245.097427 20.0 277.700775 24.0 281.010986 18.0 332.043945 18.0 341.101807 46.0 342.116791 21.0 346.33963 20.0 358.122894 17.0 358.964722 18.0 395.012177 18.0 400.251404 19.0 404.105682 18.0 426.187653 20.0 484.315247 31.0 485.871033 20.0 486.114441 17.0 489.154083 17.0 489.193085 17.0 490.152618 19.0 532.105103 18.0 533.131226 494.0 534.144531 39.0 535.150452 243.0 536.015442 17.0 536.161072 149.0 542.601379 18.0 611.30072 20.0 617.256836 17.0 652.144836 18.0 710.075745 20.0 1109.887573 18.0 END IONS BEGIN IONS SCANS=337 PEPMASS=467.11675 CHARGE=0 COLLISION_ENERGY=0.0 55.801693 21.0 71.016663 20.0 78.957916 842.0 80.962051 25.0 96.972107 20.0 124.008148 207.0 125.000275 6066.453613 125.027618 23.0 125.063011 18.0 125.229164 20.0 125.267509 20.0 126.005997 190.0 126.090927 18.0 126.936104 18.0 127.005104 60.0 128.033905 73.0 128.07991 20.0 128.916092 17.0 130.833786 28.0 141.162506 18.0 144.596664 26.0 157.517944 18.0 161.040253 19.0 194.662125 20.0 216.170227 23.0 220.125458 18.0 307.272278 33.0 323.738831 18.0 341.116821 35.0 360.145264 37.0 363.684601 22.0 364.097809 17.0 368.799744 18.0 377.200775 28.0 379.102386 36.0 387.114441 37.0 393.17215 21.0 403.067047 18.0 426.039734 18.0 467.116028 167.0 467.16864 18.0 468.120178 99.0 469.269531 20.0 END IONS BEGIN IONS SCANS=338 PEPMASS=377.08534 CHARGE=-1 COLLISION_ENERGY=0.0 50.730595 45.0 52.609371 36.0 53.063271 22.0 54.096176 20.0 54.506233 18.0 55.412685 21.0 55.536926 25.0 57.201637 18.0 57.588139 26.0 58.621002 28.0 59.013081 121.0 62.522015 20.0 64.569077 20.0 67.72374 41.0 67.871948 22.0 68.006355 19.0 69.091103 19.0 71.012451 262.0 71.608269 18.0 71.878342 20.0 72.066032 20.0 72.521347 20.0 73.02845 215.0 73.539268 20.0 74.031036 17.0 75.960007 18.0 76.757843 17.0 79.379738 17.0 81.039955 31.0 83.008354 17.0 85.028328 17.0 85.366074 19.0 86.035553 18.0 87.704193 49.0 89.022896 440.0 89.397835 27.0 90.401413 18.0 91.247734 17.0 91.508995 20.0 93.140335 27.0 94.719368 18.0 95.01506 22.0 95.468956 24.0 96.488098 42.0 97.029373 145.0 97.129517 18.0 99.011383 18.0 101.023842 902.0 101.075958 28.0 101.87468 17.0 102.042152 31.0 102.513275 22.0 103.030334 20.0 104.935982 22.0 105.004425 23.0 107.316566 22.0 111.009254 46.0 112.330215 27.0 113.02565 272.0 114.031174 19.0 114.950401 72.0 115.039658 42.0 115.955238 18.0 117.018127 21.0 118.124367 24.0 118.988518 20.0 119.034637 350.0 119.092224 20.0 119.455627 40.0 120.037323 27.0 121.346489 18.0 123.643623 21.0 123.776344 19.0 125.028954 70.0 128.059906 20.0 128.557098 25.0 128.735062 20.0 128.929672 27.0 129.902069 28.0 130.876556 18.0 130.940948 24.0 131.034134 84.0 132.03746 33.0 133.049332 21.0 137.997986 18.0 140.231766 18.0 140.797119 19.0 141.68103 29.0 143.0336 375.0 144.033218 24.0 144.482666 20.0 145.966003 34.0 148.155579 20.0 148.643127 18.0 149.042343 18.0 153.750671 20.0 155.352524 18.0 156.240036 28.0 158.942078 58.0 159.02681 27.0 159.931702 18.0 160.022705 25.0 160.082748 20.0 160.962036 40.0 161.045319 1327.0 162.048538 129.0 162.764816 28.0 163.050125 22.0 163.484131 28.0 166.397995 18.0 168.019119 37.0 172.407028 17.0 173.303436 18.0 173.699234 28.0 178.498428 42.0 179.054626 690.162048 179.264618 35.0 180.061478 40.0 181.065186 38.0 188.947311 59.0 192.552078 18.0 194.425186 19.0 200.954681 18.0 202.932343 108.0 210.955521 21.0 212.410492 24.0 212.44339 18.0 214.574631 21.0 215.054657 21.0 219.736282 25.0 220.777344 17.0 221.065781 1295.0 221.843414 20.0 222.073563 18.0 222.428223 26.0 223.074265 24.0 223.686432 20.0 231.084213 19.0 232.354828 28.0 233.034332 24.0 234.220627 24.0 234.452118 27.0 236.957367 50.0 242.679611 27.0 243.384048 18.0 254.360413 24.0 256.402863 41.0 260.946564 18.0 262.43576 21.0 262.800385 22.0 263.075165 198.0 264.077209 64.0 267.962555 17.0 268.993469 18.0 270.013733 18.0 273.44046 27.0 274.380463 24.0 280.572479 26.0 281.012177 24.0 281.091278 382.0 282.053772 31.0 282.092651 18.0 282.550507 32.0 284.689575 38.0 285.042206 17.0 287.929443 18.0 293.13443 17.0 298.01239 23.0 299.13739 22.0 299.704803 27.0 300.070435 21.0 300.876617 44.0 301.872009 22.0 309.068237 18.0 309.985443 20.0 315.059174 21.0 324.780975 21.0 332.202026 22.0 333.216919 18.0 341.105042 114.0 343.123871 130.0 344.128082 18.0 344.864258 37.0 345.863373 47.0 346.868164 37.0 351.862946 27.0 353.78714 22.0 355.962219 29.0 357.935669 22.0 377.080719 418.0 378.082001 135.0 379.083618 258.737671 380.087982 59.0 393.302429 20.0 398.054962 18.0 404.115173 19.0 407.103333 26.0 434.591919 31.000002 452.271759 19.0 486.308838 25.0 505.069824 20.0 506.144684 18.0 517.713867 25.0 529.085754 18.0 558.225464 28.999998 631.060364 19.0 641.772522 20.0 683.217529 56.0 684.26178 21.0 738.092041 21.0 850.820312 18.0 874.232666 24.0 910.931763 18.0 999.187256 18.0 1021.897278 24.0 1025.339722 18.0 1060.193359 18.0 1075.338135 23.0 1086.310181 50.0 1090.811279 22.0 1094.535278 18.0 1124.760864 23.0 1128.774658 20.0 1155.82251 20.0 1182.213867 20.0 END IONS BEGIN IONS SCANS=339 PEPMASS=431.10423 CHARGE=0 COLLISION_ENERGY=0.0 60.991425 95.0 72.993332 19.0 76.158226 25.0 87.008202 47.0 88.002922 135.0 88.043167 32.0 88.987572 5226.0 89.022575 335.0 89.051903 18.0 89.173141 20.0 89.281517 20.0 89.294647 21.0 89.30545 18.0 89.957649 28.0 89.991676 121.0 90.031265 27.0 90.985191 23.0 91.003586 18.0 92.966476 23.0 101.027 52.743717 158.091904 20.0 159.89415 18.0 162.999527 27.0 175.019653 17.0 198.012573 20.0 218.392319 18.0 269.141541 18.0 305.998993 27.0 341.103699 53.459141 342.121368 20.0 343.113312 20.0 375.062744 22.0 421.663574 17.0 431.142975 36.0 433.24054 22.0 636.829285 19.0 911.901489 20.0 END IONS BEGIN IONS SCANS=340 PEPMASS=719.20195 CHARGE=-1 COLLISION_ENERGY=0.0 131.033554 20.0 179.053497 18.0 198.7556 20.0 221.959335 20.0 236.656052 19.0 263.072144 18.0 341.112061 301.0 342.112976 40.0 344.914246 22.0 347.433807 19.0 347.687897 21.0 371.587433 23.0 375.211975 17.0 376.945953 18.0 377.084869 10740.739258 377.211273 19.0 377.452026 21.0 377.520325 19.0 377.876068 17.0 378.089203 1381.0 378.996216 20.0 379.082031 4276.0 379.872833 37.0 380.088715 208.0 380.358704 19.0 381.08432 41.0 382.489044 17.0 419.140106 18.0 504.997955 25.0 718.621826 20.0 721.203674 20.0 END IONS BEGIN IONS SCANS=341 PEPMASS=341.1081 CHARGE=-1 COLLISION_ENERGY=0.0 53.002785 39.0 55.018681 162.0 56.996754 59.0 57.033176 20.0 58.007759 20.0 59.013241 4034.0 59.95697 17.0 60.015705 142.0 60.387234 18.0 61.017059 41.0 69.033096 38.0 71.013504 5255.339844 71.69339 17.0 71.936356 20.0 72.017822 168.0 72.564766 20.0 73.029358 314.389496 75.009621 23.0 75.189819 17.0 81.031631 43.0 83.012642 184.0 84.007782 22.0 84.521217 18.0 85.029152 634.988831 86.030479 61.0 87.009727 347.0 87.040199 17.0 87.756844 19.0 88.347084 20.0 88.565674 20.0 89.02401 10237.098633 89.081543 20.0 89.28273 18.0 89.396553 18.0 89.945938 20.0 90.02758 334.0 90.319 20.0 90.639931 21.0 90.781715 18.0 91.028709 87.0 91.231071 24.0 95.015152 233.0 96.014053 18.0 97.029839 151.0 99.03743 17.0 99.053398 18.0 99.771866 19.0 100.752014 18.0 101.024361 8523.0 101.173889 18.0 101.361664 18.0 101.455429 20.0 102.026558 331.0 103.030167 55.0 103.124084 20.0 105.696587 18.0 107.035507 38.0 111.00692 71.823792 113.024551 4649.0 113.207993 18.0 113.288788 17.0 113.43325 27.0 114.028778 239.0 114.585022 23.0 114.85936 18.0 115.03347 43.0 115.052582 17.0 118.961143 22.0 119.034698 6390.775391 119.32476 17.0 119.528481 18.0 119.649887 18.0 120.016029 20.0 120.041084 284.0 120.491264 22.0 121.038055 17.0 125.022354 127.0 127.031418 28.0 131.034027 798.0 132.035309 116.0 133.033493 32.0 133.847351 17.0 134.040878 20.0 139.569412 18.0 143.03569 1094.0 144.040268 84.0 145.031769 39.0 147.237076 19.0 149.045288 855.0 152.45697 18.0 159.031281 17.0 161.045563 2249.0 161.419815 17.0 161.863037 23.0 162.048294 73.0 167.557907 22.0 176.468414 18.0 179.016602 20.0 179.056183 6342.46582 179.448669 19.0 180.059952 530.0 181.061066 77.0 186.957428 17.0 191.048019 23.0 197.443863 18.0 200.740494 25.0 210.66954 18.0 210.695892 35.0 221.070557 51.0 251.078262 20.0 251.569412 20.0 269.256226 18.0 277.670135 18.0 278.427429 22.0 281.084229 19.0 297.23996 18.0 323.091278 19.0 340.973053 17.0 341.109314 7865.942383 342.112823 1073.703003 343.110962 251.0 344.124725 18.0 420.285095 18.0 607.545288 19.0 844.458923 22.0 END IONS BEGIN IONS SCANS=342 PEPMASS=387.11366 CHARGE=-1 COLLISION_ENERGY=0.0 51.024532 79.0 52.027431 32.0 52.731781 20.0 54.052357 18.0 55.018471 2162.0 56.02103 74.0 56.997196 351.0 57.033325 335.0 57.513237 19.0 58.008347 116.87587 58.179256 38.0 58.431847 26.0 58.613148 23.0 58.826756 20.0 58.979378 19.0 59.013283 46429.0 59.036285 63.0 59.047333 257.0 59.069809 18.0 59.083958 18.0 59.125847 17.0 59.144672 17.0 59.230843 18.0 59.244576 19.0 59.259354 18.0 59.283039 44.0 59.29858 18.0 59.333015 46.0 59.429382 17.45647 59.436314 18.0 59.464787 35.0 59.487949 18.0 59.510155 18.0 59.5476 20.0 59.581566 25.0 59.598145 54.0 59.619144 19.0 59.635227 25.0 59.760956 17.0 59.883457 35.0 59.90731 18.0 59.961906 27.0 60.016476 1405.0 60.177429 58.0 60.228031 18.0 60.276539 27.0 60.299114 18.0 60.356533 18.0 60.413464 30.0 60.679497 22.0 60.817543 18.0 61.017479 328.935638 61.026985 107.064369 61.252506 20.0 61.403625 20.0 61.677773 18.0 61.928963 18.0 62.810337 18.0 67.019714 61.0 67.546768 18.0 68.021965 19.0 69.033157 171.0 69.58168 31.0 69.604996 18.0 69.630234 27.0 69.752594 18.0 69.973946 18.0 69.989594 17.0 69.997543 16.50577 70.064774 35.0 70.632858 17.0 70.902534 28.0 71.01326 63392.0 71.051247 1019.291992 71.071686 39.640949 71.125099 17.0 71.149506 18.0 71.161507 42.0 71.187416 17.0 71.209038 40.0 71.22905 22.0 71.240952 38.0 71.256462 18.0 71.350075 18.0 71.361931 24.0 71.372231 19.0 71.402023 34.015751 71.416069 50.11776 71.455757 18.0 71.478935 17.0 71.489174 18.0 71.514328 19.0 71.528809 40.0 71.581482 18.0 71.62159 17.0 71.641075 20.0 71.658936 20.0 71.700638 18.0 71.787857 25.0 71.830498 17.0 71.860283 19.0 71.873672 20.0 71.896149 19.0 71.909103 20.0 71.935242 31.0 71.960175 20.0 71.988708 17.0 72.016945 2616.37085 72.061378 64.0 72.172523 34.0 72.188934 19.0 72.247879 18.0 72.30941 18.0 72.401634 17.0 72.432938 18.0 72.505661 59.0 72.566284 23.811356 72.573746 20.0 72.601471 25.0 72.614365 23.0 72.720352 20.0 72.803368 17.0 72.994675 72.0 73.028992 2412.186279 73.046982 17.0 73.169228 20.0 73.226006 18.0 73.468742 17.0 73.701836 19.0 74.034492 86.0 74.425232 24.0 74.545837 23.0 74.668442 18.0 74.727211 18.0 75.008369 254.0 75.030678 21.0 75.433182 18.0 76.181839 21.0 76.770027 22.0 77.024384 76.0 77.783493 18.0 77.804428 21.0 79.014824 18.0 79.238327 24.0 79.539413 24.0 80.665436 18.0 81.033432 173.0 81.862663 18.0 82.03965 17.0 82.252487 18.0 82.772537 22.0 82.878693 20.0 82.913399 31.0 83.013588 4136.431152 83.076294 20.0 83.164566 20.0 83.294418 19.0 83.630707 22.0 83.705627 24.0 83.984825 22.0 84.019707 211.0 84.054268 27.0 84.285851 18.0 84.637794 18.0 84.731743 18.0 85.029305 5600.464844 85.086563 20.0 85.102142 26.0 85.145264 22.0 85.443718 64.0 85.501968 38.0 85.604088 17.0 85.786697 22.0 86.002487 45.0 86.032539 420.0 86.267532 18.0 86.906197 18.0 86.96447 17.0 87.008324 6395.651855 87.045982 472.305237 87.736023 78.0 87.773949 17.0 87.998528 17.0 88.012825 225.0 88.034515 17.0 88.0541 19.0 88.749527 17.0 88.779099 35.0 88.859085 17.0 88.944603 56.0 88.967735 35.0 88.977661 44.0 89.002563 55.100574 89.023941 117668.523438 89.066765 6023.0 89.13018 120.0 89.16304 18.0 89.186287 18.0 89.214844 40.0 89.229477 18.0 89.278572 18.0 89.291496 37.0 89.311226 17.0 89.328354 55.0 89.350517 19.0 89.370255 19.0 89.397835 44.0 89.426483 29.0 89.458267 35.0 89.473236 18.0 89.486679 22.0 89.528671 22.0 89.544846 52.0 89.559059 18.0 89.57196 20.0 89.593895 47.0 89.623123 32.852657 89.641914 20.0 89.673897 18.0 89.684837 47.29998 89.755653 18.0 89.77243 20.0 89.808876 40.0 89.828415 18.0 89.85479 19.0 89.877388 24.0 89.887245 22.56358 89.907753 17.0 89.9478 30.0 89.970276 76.18663 89.981064 17.0 89.99752 17.0 90.027428 5288.459473 90.057739 20.0 90.074654 48.0 90.090706 19.0 90.103722 18.0 90.127151 18.0 90.173111 20.0 90.219917 18.0 90.238167 17.0 90.252998 35.329128 90.261917 17.0 90.28006 20.0 90.295631 39.0 90.339256 19.0 90.35376 18.0 90.377205 18.0 90.39888 20.0 90.444862 21.0 90.507027 18.0 90.544403 40.0 90.578011 22.0 90.662544 18.0 90.700027 36.0 90.732262 22.0 90.792671 18.0 90.812714 20.0 90.822838 18.0 90.992279 18.0 91.02813 999.515381 91.142555 43.0 91.219154 18.0 91.316704 18.0 91.33017 20.0 91.449913 21.0 91.538811 20.0 91.565758 18.0 91.611092 17.0 91.934845 19.0 92.032478 39.0 92.11422 21.200312 92.126556 18.0 92.192604 18.0 92.238098 18.0 92.455765 20.0 92.72905 21.0 92.767258 39.0 92.818062 17.0 92.953354 19.0 92.974838 19.0 93.037025 18.0 93.40419 18.0 93.468819 20.0 93.485786 20.0 93.538582 34.0 93.799751 23.0 95.013 2475.0 95.072273 40.0 95.461838 20.0 95.849297 18.0 96.01606 231.0 97.028717 1304.0 97.085396 22.0 97.101761 18.0 97.372688 18.0 97.440521 24.0 97.974709 19.0 98.026497 45.0 98.544128 27.0 99.007851 909.05481 99.044235 572.0 99.118011 27.0 99.355408 22.0 99.40567 18.0 99.532089 17.0 99.56974 78.0 99.587578 18.0 99.610596 32.0 100.010178 39.0 100.021088 71.190384 100.049301 63.0 100.118683 25.0 100.236763 18.0 100.567528 17.0 100.598419 21.0 100.786461 17.0 100.996933 40.0 101.023911 113471.0 101.069504 5513.0 101.089821 18.0 101.136703 88.0 101.167892 36.0 101.18589 47.0 101.209442 55.0 101.225998 48.0 101.272758 90.042137 101.291214 34.485439 101.330139 20.0 101.345604 44.0 101.378471 36.0 101.41124 20.0 101.425827 32.0 101.470047 20.0 101.48053 19.0 101.519859 41.0 101.553131 41.0 101.579041 70.0 101.596237 25.0 101.608376 43.0 101.66925 86.0 101.697098 18.0 101.709221 18.0 101.719925 18.0 101.745338 55.0 101.798111 18.0 101.833115 22.0 101.902168 23.0 101.94825 18.0 101.98999 20.0 102.027725 6461.693359 102.050362 20.0 102.068039 43.0 102.080589 18.0 102.098465 54.379879 102.129982 53.11655 102.180176 18.0 102.21405 18.0 102.244453 50.0 102.28167 20.0 102.303085 20.0 102.319023 21.0 102.471481 55.0 102.512405 18.0 102.538681 44.027554 102.552406 18.0 102.568733 22.0 102.676849 20.0 102.705795 18.0 102.76841 35.0 102.78054 38.236645 102.788147 16.134176 102.852142 18.0 102.90213 22.0 102.925171 19.0 102.943253 17.0 102.968178 29.0 103.030052 933.942932 103.068115 26.0 103.080719 18.0 103.182259 20.0 103.225159 19.0 103.34523 25.0 103.437454 19.0 103.612274 19.0 103.648155 17.0 103.700974 18.0 104.032448 58.0 104.116394 36.0 104.138603 18.0 104.184647 20.0 104.21804 26.0 104.240273 26.0 104.35704 55.0 104.554985 20.0 104.689209 79.298172 104.875122 20.0 104.956879 21.0 105.013435 18.0 105.079338 24.0 105.191345 21.0 105.205345 20.0 105.581215 24.0 105.597252 18.0 105.671158 18.0 105.735939 29.0 106.027718 19.0 106.401176 20.0 106.477264 22.0 106.593277 17.0 106.89167 27.0 107.011154 54.0 107.034782 2389.0 107.073456 17.0 107.468735 22.0 108.018501 35.0 108.037308 90.0 108.490433 22.0 108.584389 21.0 109.03376 22.0 109.045708 36.132 109.190681 18.0 109.257652 24.0 109.507927 20.0 109.529442 35.0 110.662498 17.0 110.803009 23.0 110.990746 20.234932 111.009979 417.792389 111.043533 54.0 111.152084 20.0 111.182159 19.0 111.355614 32.0 111.36702 17.0 111.396111 52.0 111.434685 19.0 111.926918 18.0 112.012787 50.0 112.085182 17.0 112.223419 17.0 112.40554 44.0 112.516991 35.0 112.826248 18.0 112.953186 58.0 112.985191 20.0 113.002113 36.0 113.024216 65100.0 113.072594 929.697876 113.09301 26.0 113.193657 23.0 113.212837 19.0 113.242111 38.0 113.316666 18.0 113.48381 35.0 113.522858 18.0 113.536087 28.508978 113.559486 18.0 113.615295 30.0 113.722542 18.0 113.79689 20.0 113.905197 20.0 113.950516 20.0 113.967796 17.0 113.983704 18.0 114.003593 18.0 114.028168 4849.0 114.087685 19.0 114.140839 18.0 114.153488 33.633919 114.185745 17.0 114.223595 21.0 114.412674 18.0 114.520561 31.0 114.651878 18.0 114.864868 35.0 114.998589 23.0 115.027824 433.387634 115.041107 796.704102 115.060585 25.0 115.18589 18.0 115.462822 20.0 115.477905 18.0 115.572586 18.0 115.586151 39.0 115.616158 20.0 115.883873 18.0 115.907852 18.0 116.014687 19.0 116.037704 59.0 116.311722 20.0 116.769936 27.0 117.019279 163.0 117.046043 42.0 117.293381 18.0 117.313179 40.0 117.345726 19.0 117.358925 18.0 117.671143 18.0 117.723587 22.0 117.934418 44.0 118.327415 39.0 118.363449 18.0 118.418015 18.0 118.483147 24.0 118.513992 36.0 118.781212 18.0 118.802063 18.0 118.946411 35.0 118.973007 51.763206 119.004059 134.28627 119.034576 90171.0 119.059456 31.0 119.084053 3185.0 119.107819 56.159927 119.135536 22.0 119.16095 78.0 119.205368 24.0 119.246384 36.0 119.267006 20.0 119.289925 20.0 119.319008 18.0 119.440079 22.0 119.4599 31.0 119.506348 42.0 119.559555 26.0 119.573441 41.493237 119.593201 18.0 119.62149 38.0 119.673592 30.712276 119.692062 70.0 119.72596 24.0 119.77327 18.0 119.821564 24.0 119.856117 28.0 119.911888 18.0 119.933113 36.0 119.94986 20.0 119.983223 21.0 120.038094 5397.321289 120.07769 22.0 120.093155 22.0 120.10582 21.926098 120.183975 17.0 120.361603 30.0 120.392471 41.0 120.459137 18.0 120.646751 19.0 120.74231 24.0 120.761475 20.0 120.796555 37.0 120.860138 17.0 120.873795 18.0 120.921875 17.0 120.952202 18.0 120.962868 18.0 121.039398 744.0 121.127518 21.0 121.306946 18.0 121.345718 18.0 121.494392 20.0 121.662766 17.0 121.754417 23.0 121.769478 18.0 121.819061 18.0 121.845894 24.0 121.958046 32.0 122.043739 45.0 122.075546 21.0 122.098183 20.0 122.181641 18.0 122.284958 21.0 122.304276 17.0 122.315903 19.0 122.408386 18.0 122.455917 27.0 122.512535 18.0 122.629486 20.0 122.944534 18.0 122.997314 21.0 123.045189 20.0 123.228775 21.0 123.933182 20.0 124.447273 17.0 125.024765 3200.0 125.454575 17.0 125.505432 28.0 125.730553 17.0 125.864174 22.0 126.027084 197.0 126.161102 17.0 126.600693 20.0 126.993561 19.0 127.030205 48.335091 127.043716 58.664909 127.317986 20.0 127.396172 18.0 127.533119 19.0 128.848907 23.0 128.920486 17.0 129.018616 557.0 129.226364 18.0 129.33046 18.0 129.506042 20.0 129.951904 18.0 130.026291 45.0 130.162842 17.0 130.242569 24.0 130.397705 18.0 130.453888 18.0 130.649994 18.0 130.778763 18.0 130.912827 18.0 130.958679 21.0 130.973785 22.0 131.004761 19.131054 131.03476 16913.632812 131.074387 39.0 131.133438 18.0 131.154526 18.0 131.218994 18.0 131.259598 35.0 131.277374 17.0 131.334854 29.0 131.37648 26.0 131.512543 23.0 131.64682 18.0 131.687134 22.0 131.705215 22.0 131.77005 21.0 131.782166 17.0 131.822708 26.0 131.978989 18.0 132.038284 949.0 132.172531 18.0 132.21698 18.0 132.468063 20.0 132.524857 20.0 132.54921 18.0 132.77562 20.0 133.040558 233.190384 133.163895 21.0 133.235123 18.0 133.338593 20.0 133.878922 18.0 134.678513 18.0 134.749771 19.0 134.911041 29.0 135.439484 18.0 135.702759 27.0 135.924088 31.0 136.040237 18.0 136.488007 29.0 136.553162 29.0 137.025986 19.0 137.176285 22.0 137.302841 17.0 137.430511 17.0 138.887329 17.0 139.271225 18.0 139.344025 23.0 139.448212 33.0 139.551651 31.0 140.603989 18.0 141.020844 456.0 141.062363 18.0 141.124146 22.0 141.910568 18.0 142.148483 34.0 142.364426 35.0 142.440292 19.0 142.53064 18.0 142.567841 20.0 142.743408 22.0 142.854523 18.0 142.97197 41.0 143.034775 30621.503906 143.086731 36.0 143.117584 17.0 143.15416 20.0 143.166168 18.0 143.406128 20.0 143.545242 38.0 143.626007 20.0 143.644424 17.0 143.684647 20.0 143.728699 17.0 143.749481 59.0 143.980743 20.0 144.038086 2603.189453 144.073135 28.0 144.208557 18.0 144.39859 18.0 144.430344 17.0 144.452927 18.0 144.551208 22.0 144.589249 22.0 144.659622 24.0 144.75119 18.0 144.978241 26.0 145.039536 334.975006 145.696045 18.0 145.725189 27.0 145.786041 18.0 145.825577 20.0 146.70752 19.0 146.742401 33.0 147.552155 19.0 147.775375 39.0 148.319077 17.0 148.369156 48.0 148.589447 19.0 148.775909 101.0 148.832306 20.0 149.015457 40.0 149.045395 14950.947266 149.483139 62.0 149.534851 22.0 149.586639 22.0 149.629883 33.0 149.73587 21.0 149.863205 18.0 150.048721 692.0 150.073303 19.013536 150.103577 19.0 150.145523 18.0 150.183304 18.0 150.790405 17.0 151.04921 332.0 151.109299 21.0 151.9021 18.0 152.052017 58.0 152.107391 23.0 152.493225 40.0 152.528778 23.0 153.132706 21.0 153.639435 17.0 154.256332 27.0 154.325424 29.0 154.598892 20.0 155.188126 18.0 158.714005 18.0 159.029144 309.0 159.313263 18.0 160.031784 67.0 160.091248 26.0 160.317856 36.0 160.71994 20.0 160.852783 25.0 160.893967 18.0 160.928436 40.0 161.001816 36.783115 161.013031 99.452011 161.045624 43754.449219 161.103378 231.000015 161.173019 18.0 161.204529 19.0 161.218079 19.0 161.319122 24.0 161.334717 17.0 161.422211 18.0 161.494598 36.229847 161.524796 20.0 161.567963 40.0 161.595581 19.0 161.629257 53.02177 161.66716 19.0 161.685425 20.0 161.718765 18.0 161.743439 78.0 161.786179 130.0 161.814804 21.0 161.84433 67.507027 161.867783 37.492973 161.886459 18.0 161.924164 20.0 161.960602 25.0 162.004272 20.0 162.04892 3082.810059 162.081253 24.0 162.111313 54.0 162.135742 19.0 162.155624 45.0 162.230438 17.0 162.249939 18.0 162.307602 19.0 162.578552 37.0 162.74556 18.0 163.050018 505.0 163.168839 17.0 163.242676 22.0 163.460266 18.0 163.995102 22.0 164.055359 27.0 164.326935 26.0 164.516495 19.0 164.552643 17.0 164.699554 18.0 164.830597 18.0 165.018234 39.0 165.223938 18.0 165.248672 24.0 165.624283 17.0 165.792114 30.0 166.206253 18.0 166.336441 28.000002 166.375198 20.0 166.716751 20.0 166.759003 29.0 167.027573 17.0 167.107162 24.0 167.272263 18.0 168.745712 20.0 168.806549 28.0 168.914108 20.0 168.960648 25.0 169.328522 17.0 169.369415 17.0 169.58902 19.0 169.623901 18.0 169.727524 20.0 170.567886 18.0 170.61673 18.0 171.029617 20.0 171.484421 20.0 171.616074 18.0 171.994507 26.0 172.023773 17.0 172.434998 21.0 172.495041 22.0 172.542755 18.0 172.703094 21.0 172.832703 22.0 172.992004 25.0 173.046402 56.0 173.675003 25.0 173.699966 25.0 174.079529 17.0 174.338928 21.0 175.44606 20.0 176.433334 22.0 176.46051 41.0 176.685684 20.0 176.870789 20.0 176.989929 25.0 177.677856 27.0 177.838928 18.0 178.462143 52.0 178.511093 17.0 178.696793 42.0 178.722946 17.0 178.796906 18.0 178.828918 31.171392 178.844681 34.828609 178.932922 56.8633 178.968613 65.606964 179.016922 193.082809 179.055954 151776.0 179.11676 8815.327148 179.15213 19.0 179.174957 17.0 179.205719 1340.0 179.238907 65.17215 179.274246 269.115204 179.310471 21.0 179.372559 38.0 179.461349 18.0 179.484009 24.0 179.501678 42.0 179.648682 22.0 179.731354 17.0 179.799774 36.0 179.861389 36.598297 179.879898 35.401703 179.914642 32.600246 179.929489 40.399754 180.000107 40.0 180.059921 13026.908203 180.115005 42.0 180.212173 63.0 180.282394 27.0 180.330399 53.0 180.359482 20.0 180.390549 58.0 180.424286 25.0 180.463715 49.0 180.5056 86.0 180.541702 20.0 180.593369 18.0 180.645355 42.0 180.687393 39.0 180.808243 19.0 180.882187 18.0 180.901398 22.0 181.060013 3437.263672 181.19751 28.0 181.23465 38.0 181.365707 20.0 181.393814 18.0 181.44017 37.0 181.473373 18.0 181.625961 28.0 181.673981 26.0 181.692841 18.0 181.862457 40.0 182.065704 191.0 182.245972 36.0 182.356842 18.0 182.372375 18.0 182.428543 18.0 182.6884 17.0 182.928986 18.0 183.070312 18.0 183.135712 17.0 183.156494 18.0 183.240875 36.0 183.475418 18.0 183.568726 18.0 183.689224 17.0 183.853943 20.0 184.038483 26.0 185.040268 18.0 185.161453 22.0 185.250229 18.0 185.492279 17.0 186.031815 20.0 186.288391 21.0 187.127197 18.0 191.054382 139.0 191.368546 27.0 192.058563 42.0 198.500427 20.0 199.986145 22.0 201.198181 25.0 201.964935 18.0 202.624512 18.0 203.05983 107.0 203.089066 21.0 203.295212 17.0 203.810837 18.0 204.204147 19.0 208.053574 20.0 209.069778 125.0 212.47702 19.0 213.501495 59.0 214.511963 20.0 216.420746 17.0 216.543427 20.0 217.015518 18.0 217.116974 22.0 217.538376 18.0 218.938446 18.0 219.179459 17.0 219.603912 20.0 219.757767 20.0 219.815659 29.0 220.040329 18.0 220.205231 20.0 220.32254 18.0 221.066666 791.0 221.126831 19.0 221.392136 20.0 221.785889 20.0 222.074615 18.0 222.48056 22.0 222.779053 27.0 223.181488 20.0 223.570267 18.0 223.733871 18.0 224.867767 23.0 225.74707 23.0 226.097473 25.0 226.174042 18.0 227.245102 18.0 228.429794 56.000004 229.857849 22.0 230.07988 30.0 230.946182 27.0 231.050781 100.0 232.056747 18.0 232.212219 18.0 233.064651 54.0 233.151932 18.0 233.924423 28.0 234.16925 20.0 236.05658 29.0 236.556625 18.0 236.604019 18.0 237.052139 28.0 239.080963 159.0 239.619919 28.0 241.078339 39.0 241.099426 20.0 242.211517 18.0 245.046021 18.0 245.083237 37.0 246.080139 17.0 246.643555 35.0 247.736023 32.0 249.062393 222.0 251.074905 174.0 251.261078 18.0 252.080719 17.0 252.6474 41.0 252.75415 18.0 254.99353 20.0 255.635086 18.0 255.654953 22.0 256.155121 28.0 257.113647 21.0 257.599335 25.0 259.067444 22.0 259.7659 20.0 262.347717 24.0 263.078735 193.0 264.07843 22.0 264.104309 19.0 266.68457 25.0 266.873138 31.0 267.114655 18.0 268.433258 20.0 269.716858 28.0 270.226105 17.0 270.780029 18.0 271.371948 18.0 271.525208 22.0 272.171661 26.0 272.480255 20.0 273.517517 32.0 277.506683 18.0 277.990021 22.0 278.231018 19.0 278.354797 19.0 278.652527 19.0 278.850708 39.0 278.939728 35.0 281.087494 1596.0 281.200317 18.0 281.404205 21.0 281.965515 17.0 281.986359 24.0 282.090027 109.0 283.093445 41.0 283.171509 18.0 283.839355 18.0 285.577301 18.0 289.274048 29.0 290.467316 18.0 291.266357 20.0 291.485443 32.0 291.620728 18.0 293.085449 32.0 293.544495 26.0 294.335358 21.0 298.827789 25.0 300.218323 25.0 300.867584 23.0 301.083527 25.0 303.454193 18.0 306.001862 19.0 308.258301 22.0 309.082001 21.0 318.31778 37.0 321.009613 18.0 321.088806 18.0 322.089691 19.0 322.547607 18.0 323.100037 338.0 323.213226 18.0 323.396942 20.0 323.880188 21.0 324.09729 75.0 325.200653 20.0 327.692657 18.0 327.732208 30.0 331.464752 17.0 331.570953 18.0 331.837891 30.0 332.781982 21.0 334.017456 18.0 334.524261 18.0 334.609192 18.0 334.759003 28.0 334.884583 27.0 334.912354 46.0 335.391113 22.0 335.848145 28.0 336.02951 130.065826 336.074432 198.153458 336.147705 235.864304 336.208557 20.0 336.277588 19.0 336.521729 19.0 336.615417 18.0 336.817902 38.0 336.873322 20.0 336.897766 38.52161 336.954498 17.0 336.974792 22.0 337.061249 18.0 337.087006 24.0 337.138672 73.247917 337.604309 18.0 337.814545 24.0 338.104523 45.0 338.954346 21.0 339.087402 89.0 339.158234 18.0 339.195679 18.0 339.319305 18.0 339.355835 27.0 339.485291 40.0 339.528961 20.0 339.599091 18.0 339.812286 18.0 340.040497 18.0 340.0802 18.0 340.44751 52.0 340.510315 46.0 340.608765 96.0 340.682892 108.0 340.726044 53.0 340.76416 64.0 340.790955 72.0 340.82312 39.057499 340.874084 44.485752 340.927856 201.164948 341.000366 203.22081 341.051605 161.560211 341.109528 485361.96875 341.194305 35902.0 341.274445 3698.0 341.315247 12502.0 341.378876 8226.121094 341.404602 8562.878906 341.468262 5119.0 341.509094 332.849304 341.570709 92.0 341.632172 54.37405 341.659088 90.856934 341.718903 38.0 341.774109 22.0 341.866272 18.0 341.921173 18.0 341.978149 117.0 342.065247 833.301453 342.112946 94796.015625 342.19873 11892.510742 342.234375 1966.083618 342.28067 3764.042725 342.321808 7199.208984 342.372162 3503.177246 342.413513 2074.378906 342.448181 386.427185 342.507507 65.0 342.537933 39.0 342.821747 17.0 342.900513 89.887665 342.984222 138.298172 343.00885 160.701599 343.053864 2982.50415 343.114441 27729.851562 343.164673 841.221741 343.205078 7085.878906 343.27655 1068.854736 343.315796 2627.931641 343.414062 56.0 343.565216 17.0 343.654846 18.0 343.741028 80.0 343.804352 36.0 343.84375 88.765999 343.906799 93.287674 343.929108 115.709061 343.97934 1106.479858 344.031006 2177.570068 344.069183 1483.351074 344.117889 5586.506836 344.154602 1128.134155 344.202179 1150.144043 344.241882 436.239075 344.281158 75.779289 344.362854 73.0 344.684418 20.0 344.70813 20.0 344.813965 86.654541 344.844879 55.768875 344.900238 291.553711 344.945007 824.111206 344.997345 891.345398 345.050385 1033.44751 345.112488 350.517487 345.213562 35.0 345.329346 17.0 345.447083 19.0 345.509155 20.0 345.587891 37.0 345.694183 18.0 345.76947 18.0 345.801575 68.400047 345.898621 402.555847 345.953796 241.708252 345.987579 109.930672 346.023468 95.899162 346.152191 18.0 346.179382 26.0 346.220795 19.0 346.602905 18.0 346.636414 22.0 346.684021 19.0 346.732147 18.0 346.809418 18.0 346.863586 97.0 346.913025 78.0 347.156982 17.0 347.376007 26.0 347.442352 18.0 347.536865 38.0 347.632568 36.0 347.676971 18.0 347.725281 60.0 347.762604 37.0 347.834442 18.0 347.880005 36.0 347.94455 36.0 348.014984 77.58728 348.067749 18.0 348.13147 18.0 348.420837 18.0 348.449524 24.0 348.514954 54.0 348.599091 61.0 348.709534 36.338337 348.759277 25.0 348.861237 18.0 348.93219 18.0 349.201965 33.0 349.349182 20.0 349.387665 18.0 349.509155 17.0 349.591064 18.0 349.673767 17.0 349.737549 40.0 349.919281 18.0 350.096497 19.0 350.191986 18.0 350.325775 17.0 350.355072 48.0 350.435852 18.0 350.549805 17.0 350.648712 30.0 350.885223 34.0 351.034637 18.0 351.074432 64.0 351.1763 17.0 351.301697 17.0 351.543243 20.0 351.667786 20.0 351.88913 25.0 352.180298 25.0 352.331726 19.0 352.492432 18.0 353.135162 18.0 353.213104 27.0 353.36087 25.0 353.389862 17.0 353.967743 18.0 354.155884 18.0 354.714691 17.0 354.785645 18.0 355.297485 26.0 355.569122 18.0 355.797821 18.0 356.276581 24.0 356.852386 27.0 357.305237 25.0 357.338531 18.0 358.157104 20.0 358.407196 22.0 362.192993 24.0 363.182465 20.0 365.325073 22.0 367.208344 17.0 367.761749 18.0 368.178711 18.0 368.720978 19.0 373.849365 19.0 377.448547 18.0 381.416565 27.0 381.461761 64.0 383.432709 21.0 385.935944 38.0 386.937592 21.0 386.985046 51.525829 387.02536 39.0 387.060699 55.0 387.114136 57224.644531 387.205627 2466.0 387.289093 129.0 387.334045 637.0 387.396057 369.888733 387.432159 445.591217 387.497803 107.0 387.538422 17.0 387.915466 22.0 387.99942 18.0 388.118469 10803.5625 388.209686 539.234619 388.261749 50.945183 388.332458 444.473389 388.418854 282.055756 388.502014 49.590961 388.530029 19.0 388.804321 20.0 389.071411 31.0 389.11911 2552.943359 389.227875 207.0 389.305267 97.0 389.34256 195.129883 389.391571 172.663025 389.438782 87.0 389.478058 50.0 389.664154 26.0 390.076813 26.0 390.119293 381.0 390.1763 18.0 390.215607 90.0 390.264496 20.0 390.315491 74.0 390.356598 58.0 390.413696 44.0 390.45401 24.0 390.818329 18.0 391.058472 18.0 391.132263 85.0 391.192383 18.0 391.224182 24.0 391.273102 59.0 391.335846 44.0 391.420288 18.0 392.04245 21.0 392.11554 18.0 392.153412 38.0 392.186035 22.0 392.247131 25.0 392.284088 39.0 392.338593 36.0 393.043762 26.0 393.178619 25.0 393.235138 18.0 394.150238 17.0 394.1922 17.0 394.297028 17.0 395.152344 18.0 395.194305 18.0 395.255219 18.0 396.046478 17.0 396.134369 18.0 400.824463 24.0 401.213013 28.0 401.398621 20.0 402.282043 18.0 402.532501 17.0 411.187012 26.0 413.139709 20.0 414.624969 20.0 418.564514 39.0 418.730499 45.0 418.819183 17.0 419.594025 22.0 419.646576 38.0 419.743835 32.0 419.994293 39.0 420.046356 26.0 420.117828 20.0 420.164307 33.0 420.216553 65.0 420.31366 27.0 420.498901 20.0 420.524719 18.0 420.568146 18.0 420.641968 21.0 420.724396 19.0 420.795349 25.0 420.99057 23.0 421.091736 19.0 421.555511 29.0 423.772522 20.0 427.521149 20.0 428.536499 28.0 430.273956 19.0 440.597412 18.0 457.50708 18.0 462.681549 18.0 472.287292 20.0 475.081604 29.000002 475.727112 18.0 476.393036 26.0 476.52597 18.0 476.59668 24.0 484.841187 22.0 486.068298 23.0 491.170654 18.0 503.034363 28.0 503.389587 25.0 504.745392 20.0 505.184296 44.0 512.263245 20.0 524.005737 24.0 527.695862 24.0 530.34491 22.0 532.682983 29.0 533.189209 20.0 545.840393 47.0 557.925476 24.0 560.098145 17.0 560.477478 22.0 561.090576 22.0 561.182068 18.0 561.248413 17.0 562.144165 18.0 562.720276 20.0 566.356201 17.0 570.491516 40.0 571.181885 26.0 574.708801 18.0 578.441528 30.0 578.848022 23.0 584.571655 18.0 585.255554 18.0 587.678772 18.0 588.660095 18.0 590.036194 20.0 601.170776 18.0 603.960144 19.0 611.182434 18.0 614.65564 21.0 615.458191 17.0 615.56366 21.0 616.05658 18.0 618.489319 51.0 630.571533 30.0 632.663391 32.0 636.760376 18.0 640.33136 21.0 647.359558 24.0 666.41156 25.0 670.971436 17.0 677.292603 20.0 682.435791 18.0 685.688232 21.0 690.961121 19.0 702.4505 20.0 716.611328 18.0 716.66748 18.0 725.805847 22.0 729.433411 24.0 751.323669 18.0 757.76825 20.0 758.471619 24.0 758.924438 18.0 759.533752 18.0 761.351074 17.0 762.098694 17.0 765.090759 20.0 778.071594 25.0 788.728088 18.0 830.356018 51.0 831.848694 21.0 836.293457 26.0 840.762329 18.0 841.269104 36.0 841.686401 21.0 842.328064 18.0 842.425781 19.0 842.655396 18.0 842.751099 22.0 842.837341 27.0 842.981018 18.0 843.043152 20.0 843.482117 60.0 843.809204 22.0 844.272095 36.0 844.505188 36.0 844.57019 21.0 844.637817 22.0 844.7323 20.0 844.836609 18.0 845.033447 17.0 845.143616 39.0 845.220032 20.0 845.461609 17.0 845.575623 17.0 846.186523 18.0 846.680786 36.0 847.008179 43.0 847.223328 38.0 848.228882 25.0 848.873352 20.0 848.966125 23.0 857.360474 18.0 877.136597 19.0 891.067444 18.0 926.187622 18.0 927.797974 18.0 928.296143 40.0 963.538269 22.0 971.242859 18.0 1009.747986 19.0 1011.192993 24.0 1025.342163 18.0 1031.618408 22.0 1042.023071 20.0 1060.17627 19.0 1060.314697 27.0 1076.734863 20.0 1080.358521 18.0 1083.324829 18.0 1089.647583 18.0 1102.368652 20.0 1131.749512 17.0 END IONS BEGIN IONS SCANS=343 PEPMASS=683.22495 CHARGE=-1 COLLISION_ENERGY=0.0 59.01228 42.0 71.013046 202.0 87.007751 39.0 89.024033 495.0 89.386848 18.0 90.024117 45.0 101.026337 162.0 102.027588 42.0 113.024147 112.0 119.032822 338.494324 120.038078 23.0 125.021576 23.0 131.036423 45.0 143.034424 79.0 149.044495 106.0 161.04509 327.198456 176.499222 17.0 178.936554 18.0 179.05751 1346.0 180.063934 21.0 221.062302 73.0 236.086273 18.0 239.988846 17.0 263.07962 62.0 271.085876 18.0 281.088989 20.0 282.081421 18.0 292.480286 30.0 298.148621 22.0 304.419464 18.0 310.104858 21.0 323.220734 18.0 337.928406 18.0 339.200562 101.0 339.776031 18.0 340.20166 65.0 341.1091 9133.0 341.19931 49.0 341.328339 18.0 342.112335 1479.0 342.181854 28.0 343.112061 226.0 343.194153 28.0 344.538971 22.0 347.25354 22.0 360.22699 17.0 439.767731 17.0 499.73703 18.0 512.145142 18.0 527.822205 22.0 558.713928 20.0 683.22998 469.999969 684.234192 49.0 685.240784 43.0 845.044983 18.0 END IONS BEGIN IONS SCANS=344 PEPMASS=390.12188 CHARGE=-1 COLLISION_ENERGY=0.0 55.020302 31.0 59.012573 1624.0 59.037518 43.0 60.016827 109.0 61.017284 144.0 65.198608 20.0 71.013718 1225.0 72.015923 245.0 72.292091 18.0 73.018456 287.260345 76.278999 24.0 77.025398 18.0 83.015724 18.0 84.018326 49.0 85.030037 91.0 86.036919 21.0 87.009407 45.0 87.033165 21.0 87.763458 79.0 89.024033 3571.900146 89.445847 18.0 89.875816 18.0 89.910873 17.0 90.028648 415.27887 90.35791 18.0 91.028557 931.0 92.579338 24.0 93.035912 32.0 95.010162 18.0 97.016251 36.0 99.008118 39.0 101.02404 1678.152832 101.298737 18.0 102.027534 681.0 103.029289 521.342041 103.116074 20.0 104.028549 20.0 108.037445 17.0 112.017426 33.0 113.024071 1186.0 114.027672 283.0 115.028831 292.0 116.035774 50.0 119.034462 2452.530029 119.476807 20.0 120.039139 533.0 120.356262 22.0 121.039192 879.46051 122.043457 21.0 122.795792 20.0 125.023003 18.0 129.026337 18.0 131.035568 282.0 131.195694 18.0 132.040146 88.0 133.039841 160.0 134.044815 20.0 143.035919 432.0 144.037292 141.539658 145.039398 212.0 149.046127 228.0 149.206406 20.0 150.05394 42.0 151.050797 170.0 152.060242 58.0 161.044525 683.0 162.049332 230.0 162.243988 21.0 163.051514 415.999969 164.060226 21.0 179.055786 2083.0 180.060242 1290.0 181.060364 2434.0 181.145157 17.0 181.496078 17.0 182.065628 240.0 183.068527 19.0 205.96788 18.0 217.561691 30.0 270.863037 17.0 283.089203 22.0 336.069763 22.0 338.053833 32.0 338.132477 19.0 339.279297 35.0 341.109222 1661.942749 342.064178 18.0 342.110931 1225.0 342.393005 18.0 342.554565 17.0 343.035767 19.0 343.113373 15227.888672 343.19989 18.0 343.317291 27.999998 344.116058 2490.591797 344.40036 32.0 345.118744 347.9245 345.476196 20.0 347.03891 17.0 347.378784 19.0 349.48584 18.0 356.972565 32.0 357.754852 20.0 377.778809 18.0 388.555939 18.0 389.11908 805.0 390.126007 104.0 390.381226 18.0 391.12674 53.0 488.152191 17.0 538.056824 17.0 538.094238 20.0 622.591553 20.0 END IONS BEGIN IONS SCANS=345 PEPMASS=729.23023 CHARGE=-1 COLLISION_ENERGY=0.0 59.013863 202.0 71.01284 343.869141 72.852798 20.0 75.00724 19.0 75.247948 21.0 85.031967 22.0 87.010857 42.0 88.987267 20.0 89.024452 1435.0 89.125572 26.0 90.029259 60.0 91.028114 40.0 92.959236 18.0 95.017387 36.0 96.96125 201.0 101.023613 680.712036 102.0298 53.0 107.03582 20.0 113.023125 379.0 114.024803 21.0 119.034966 1219.0 120.03476 83.0 124.703079 23.0 131.032227 77.0 143.034241 283.0 145.460709 24.0 149.044937 276.0 150.552917 17.0 151.051331 24.0 161.045853 626.498047 161.537048 36.0 162.049301 42.0 173.222382 17.0 179.055222 3853.0 180.057571 334.0 181.050827 17.0 205.333908 17.0 213.186493 17.0 214.465347 18.0 220.098541 17.0 259.893921 23.0 283.900208 18.0 306.595001 29.000002 323.083679 27.0 336.149231 24.0 336.222382 18.0 337.811188 20.0 339.970215 18.0 340.188049 20.0 340.759705 21.0 341.059082 36.0 341.107605 40476.0 341.192932 194.0 341.393738 40.0 341.806763 17.0 341.937256 21.0 342.111023 7472.455078 342.177826 28.0 342.383118 18.0 342.407288 18.0 342.779205 24.0 342.873993 27.0 342.920654 17.0 342.959808 36.0 343.114258 1566.0 343.354248 18.0 343.486877 19.0 344.018707 18.0 344.115753 135.0 345.471161 20.0 345.743134 22.0 346.400909 18.0 347.203186 38.0 347.420593 24.0 347.680206 20.0 347.777832 18.0 351.374634 20.0 358.52063 21.0 361.380981 18.0 365.683105 18.0 372.150757 20.0 386.145966 18.0 386.841919 18.0 387.013489 36.0 387.113312 33260.785156 387.204132 54.0 387.775543 17.0 388.11795 5873.728027 388.367523 20.0 388.55423 27.0 389.118195 1090.0 390.122498 180.0 393.243561 19.0 394.010681 19.0 394.504974 18.0 409.063568 18.0 429.507568 21.0 432.115662 20.0 439.076569 128.0 471.153992 27.0 485.228424 20.0 559.933899 52.0 660.661316 18.0 681.165649 22.0 682.53363 18.0 683.088135 18.0 683.223022 540.0 684.228027 217.0 685.224915 22.0 686.635376 18.0 694.615784 31.0 732.125793 18.0 757.540466 21.0 869.390137 27.0 1025.360352 17.0 1197.348145 18.0 END IONS BEGIN IONS SCANS=346 PEPMASS=446.15108 CHARGE=-1 COLLISION_ENERGY=0.0 58.897438 20.0 59.01572 21.0 74.024323 255.0 75.008926 39.0 85.026917 20.0 87.004646 45.0 89.023491 36.0 103.001755 311.0 104.034676 5923.74707 104.412766 20.0 105.018448 4147.593262 105.039398 343.569 105.30088 18.0 105.327049 26.0 105.466896 18.0 105.61351 50.0 105.934792 18.0 106.022278 182.406479 106.385574 26.0 107.024963 47.0 108.196892 18.0 111.227852 18.0 114.017822 18.0 131.686234 18.0 142.995605 19.0 154.100784 20.0 158.04985 18.0 161.046677 20.0 172.39801 29.000002 180.925171 18.0 188.948898 22.0 196.886505 22.0 205.000854 24.0 222.063263 18.0 222.443741 25.0 256.972412 17.0 341.106049 149.0 343.108582 30.0 349.216553 18.0 384.069458 18.0 445.118469 18.0 446.15509 71.0 END IONS BEGIN IONS SCANS=347 PEPMASS=473.16253 CHARGE=0 COLLISION_ENERGY=0.0 71.013092 43.0 72.027588 18.0 73.02951 19.0 74.025307 61.0 84.012482 26.0 87.039261 18.0 87.047661 21.0 89.024467 18.0 90.861458 17.0 95.023598 59.0 99.007874 28.0 103.429771 22.0 113.03476 797.0 114.020409 272.542542 114.037659 53.457462 115.002533 275.0 115.343948 29.0 119.049118 22.0 129.973999 41.0 130.05397 27.0 131.046585 5859.0 131.070068 20.0 131.578323 25.0 131.734009 19.0 132.030869 117.083199 132.045685 201.916809 132.286774 20.0 132.32457 28.0 132.868103 29.0 133.01384 2708.182129 133.048752 503.241547 133.124771 18.0 133.7388 18.0 134.014999 56.0 134.046036 135.674164 135.028641 195.0 135.050674 18.0 173.009033 23.0 182.134796 18.0 257.936554 22.0 279.683136 30.0 298.821472 24.0 321.427063 43.0 341.105682 18.0 343.128296 60.0 344.125519 18.0 355.709808 20.0 383.652924 33.0 427.090729 20.0 428.00528 17.0 430.996063 39.0 472.217529 18.0 473.162292 104.0 474.168396 17.0 476.165924 18.0 477.224731 25.0 617.254517 18.0 690.65802 17.0 839.159607 22.0 END IONS BEGIN IONS SCANS=348 PEPMASS=447.13742 CHARGE=0 COLLISION_ENERGY=0.0 70.027679 17.0 74.025055 195.262817 75.00602 64.0 75.022308 19.0 76.011932 20.0 84.542404 48.0 89.026703 80.0 91.308533 22.0 101.023048 23.0 102.023552 25.0 103.003403 62.0 103.493118 21.0 104.004372 18.0 104.034317 3029.346924 104.95224 47.0 105.018517 5495.28418 106.022697 188.6409 106.119583 18.0 119.031212 20.0 120.040047 18.0 129.02684 22.0 150.020828 24.0 153.003311 18.0 159.111649 17.0 165.06102 20.0 167.950699 26.0 179.05481 18.0 180.056778 19.0 181.07605 22.0 195.057465 26.0 210.980591 26.0 221.012955 17.0 222.172318 18.0 226.116257 20.0 235.094452 18.0 279.455505 27.0 280.961761 31.0 282.992065 18.0 332.513367 18.0 341.109467 123.0 343.122681 43.0 377.048218 25.0 382.999756 42.0 403.021515 25.0 417.660248 20.0 429.12735 20.0 429.157013 25.0 429.810913 21.0 446.064178 17.0 446.149078 59.064674 448.15271 38.0 449.119507 25.0 627.843872 17.0 725.457275 23.0 END IONS BEGIN IONS SCANS=349 PEPMASS=404.10395 CHARGE=-1 COLLISION_ENERGY=0.0 50.639275 18.0 59.013226 18.0 59.222652 20.0 61.105099 17.0 61.11462 18.0 61.90583 17.0 61.968346 20.0 61.987911 15827.0 62.088581 18.0 62.135296 23.0 62.150555 57.0 62.19976 20.0 62.320419 20.0 62.32782 19.0 62.456028 18.0 62.475292 19.0 62.509666 18.0 62.563057 18.0 62.820396 24.0 62.876099 22.0 62.957085 17.0 62.986717 78.0 63.424896 19.0 63.521229 18.0 63.991455 158.347504 64.705002 25.0 65.488014 26.0 66.482742 17.0 67.914268 17.0 70.999123 24.0 71.011765 31.0 71.680115 20.0 73.941978 20.0 75.012901 17.0 77.468735 18.0 79.253105 22.0 79.311722 25.0 80.577545 40.0 80.906952 18.0 83.096352 18.0 93.457268 24.0 98.389809 21.0 100.254601 19.0 104.03231 19.0 105.292831 34.0 105.627304 22.0 108.893997 18.0 111.437866 25.0 113.089561 18.0 113.990776 23.0 115.377327 19.0 116.183052 20.0 117.141403 26.0 118.490898 18.0 118.9384 20.0 119.036621 29.0 121.789368 18.0 123.695839 49.0 123.722046 21.0 123.88829 31.0 134.198837 20.0 134.505264 21.0 138.333145 19.0 142.293747 22.0 144.266953 22.0 144.401169 42.0 150.51651 18.0 154.671631 18.0 155.11557 29.0 158.634903 18.0 160.62085 21.0 176.018356 21.0 177.48143 22.0 178.057129 20.0 179.053436 41.0 180.86882 18.0 187.776596 20.0 188.246933 18.0 190.133774 26.0 191.249359 27.0 191.461716 17.0 193.602249 18.0 197.666901 18.0 201.008636 21.0 201.270935 22.0 203.999207 24.0 204.025757 18.0 206.440125 17.0 216.509445 28.0 218.599854 22.0 222.150726 36.0 238.007492 30.0 243.406937 18.0 245.378922 18.0 250.368576 26.999998 252.674057 23.0 263.373383 30.0 265.204102 26.0 268.291107 24.0 268.871735 35.0 272.033203 23.0 272.674652 20.0 274.64563 20.0 278.877441 17.0 280.645721 18.0 290.384247 20.0 293.427368 20.0 293.790192 18.0 297.209747 20.0 298.483215 23.0 310.041809 20.0 310.446808 39.0 311.816101 22.0 325.188995 18.0 325.77655 18.0 327.105804 20.0 335.068085 18.0 336.62619 17.0 341.107147 178.0 349.178101 20.0 351.489929 20.0 367.093567 22.0 377.097015 34.0 381.451233 20.0 383.389557 18.0 387.117035 64.0 394.74588 25.0 399.104828 18.0 402.494873 18.0 403.089172 20.0 404.011444 19.0 404.104706 3208.0 404.315704 19.0 405.040863 25.0 405.1091 472.0 406.106934 130.0 407.642426 17.0 411.600464 18.0 423.442444 21.0 429.135529 18.0 454.075531 36.0 479.997711 19.0 488.155121 19.0 489.087524 22.0 503.149841 41.0 510.153961 21.0 511.156281 18.0 526.105774 26.0 533.333191 17.0 544.809204 17.0 578.133667 24.0 598.342712 19.0 683.213928 44.0 720.125977 21.0 729.223267 18.0 736.117615 19.0 759.369507 20.0 852.278381 19.0 880.219299 24.0 887.22937 18.0 903.239319 21.0 928.314148 55.0 939.741638 20.0 966.435974 18.0 979.894531 20.0 1006.721252 23.0 1029.732178 18.0 1047.306152 18.0 1050.797119 22.0 1056.830322 22.0 1062.109497 29.0 1078.246948 18.0 1094.721436 20.0 1099.408325 19.0 1099.895752 59.0 1103.187378 38.0 1104.241699 18.0 1119.212402 18.0 1126.488892 24.0 1145.295044 19.0 END IONS BEGIN IONS SCANS=350 PEPMASS=179.0555 CHARGE=0 COLLISION_ENERGY=0.0 72.988213 20.0 73.027534 40.0 75.005463 41.0 81.924179 19.0 83.556969 52.0 85.030258 18.0 89.024323 18.0 95.713203 20.0 95.979759 28.0 100.862534 22.0 101.993546 20.0 119.033966 24.0 123.972961 19.0 127.899689 28.0 134.986069 20.0 151.170898 18.0 152.50206 26.0 159.896164 20.0 160.890839 44.0 161.045456 23.0 178.977188 17.0 179.058578 20.0 184.012161 18.0 193.113159 20.0 212.446548 20.0 295.465698 23.0 302.360046 18.0 314.506958 30.0 315.189545 30.0 327.636841 17.0 337.319977 20.0 350.438538 28.0 353.145782 20.0 377.134186 22.0 381.687775 18.0 395.599854 19.0 425.662781 17.0 428.939453 18.0 452.006042 20.0 514.820862 20.0 617.492371 37.0 END IONS BEGIN IONS SCANS=351 PEPMASS=377.08523 CHARGE=-1 COLLISION_ENERGY=0.0 55.019592 18.0 57.050644 18.0 59.013786 20.0 69.07325 34.0 71.014282 160.0 77.165466 22.0 80.760597 18.0 86.247276 22.0 87.004616 35.0 89.024261 231.0 96.376434 23.0 101.023689 289.0 107.17411 18.0 111.538826 20.0 113.022552 19.0 114.947006 35.0 117.282753 20.0 119.036072 222.0 120.038063 27.0 121.038048 24.0 125.024193 18.0 131.029953 20.0 132.737808 25.0 133.570892 22.0 138.309372 18.0 143.030853 18.0 144.966965 33.0 145.962143 17.0 146.152328 18.0 146.961472 18.0 149.052444 25.0 153.590912 21.0 155.985703 18.0 159.032516 19.0 160.931 26.0 161.046143 120.0 163.062988 18.0 168.03476 21.0 171.714523 21.0 172.028397 18.0 174.086426 20.0 179.055313 656.0 180.05806 42.0 181.315857 21.0 182.070053 24.0 184.758377 20.0 185.32222 23.0 187.176117 21.0 188.953506 51.0 191.012512 18.0 194.940414 38.0 197.450699 20.0 198.738998 17.0 202.92572 43.0 204.799271 23.0 206.313477 23.0 208.926239 17.0 216.361008 18.0 216.680435 17.0 219.112213 23.0 221.06752 364.0 222.070908 39.0 222.654785 22.0 225.021835 18.0 236.12175 26.0 241.979279 21.0 251.083588 23.0 256.878387 18.0 271.858276 20.0 272.872314 21.0 281.083618 40.0 293.085083 20.0 304.936249 18.0 306.09668 25.999998 335.174927 24.0 335.867432 22.0 341.115051 20.0 342.113617 39.0 343.12915 17.0 343.58902 18.0 348.112732 18.0 353.430603 39.0 356.967316 24.0 377.088837 540.0 377.7677 17.0 378.085602 154.0 379.081329 378.0 380.085876 37.0 434.653503 37.0 465.317566 41.0 497.178833 22.0 512.77063 19.0 552.804565 18.0 598.265442 18.0 627.193359 25.0 646.720459 20.0 873.88147 17.0 END IONS BEGIN IONS SCANS=352 PEPMASS=214.04815 CHARGE=0 COLLISION_ENERGY=0.0 51.887917 47.0 53.407871 24.0 54.577377 17.0 60.317677 18.0 61.463398 17.0 61.869682 31.0 64.207024 18.0 64.250656 18.0 64.372009 18.0 64.763168 17.0 65.130768 31.0 66.967415 20.0 68.824501 42.0 69.549927 41.0 71.048134 17.0 73.771553 25.0 74.022034 21.0 74.587708 20.0 74.770012 18.0 75.167679 18.0 76.427307 18.0 78.234581 18.0 78.958519 1248.0 79.278854 34.0 80.046425 24.0 81.536644 20.0 86.994286 17.0 89.276375 22.0 89.414299 23.0 89.866066 18.0 90.656075 33.0 92.039124 18.0 95.574013 20.0 101.014641 39.0 103.043747 26.0 103.218697 28.0 107.430481 22.0 108.236603 18.0 108.800308 21.0 110.02195 18.0 112.148659 19.0 112.989578 21.0 115.00798 24.0 121.971901 18.0 124.210037 18.0 129.934204 17.0 133.046539 17.0 135.225952 18.0 137.559509 31.0 140.011078 1352.0 141.011475 90.0 141.946747 33.0 146.045547 35.0 146.959366 20.0 150.246964 20.0 152.997147 393.0 154.947678 17.0 156.623856 18.0 159.892319 18.0 165.312668 69.0 167.00058 21.0 167.966339 20.0 169.023651 27.0 169.908707 26.0 170.771408 23.0 171.003082 36.0 177.040741 20.0 177.90361 22.0 179.467834 20.0 180.454544 21.0 182.187042 20.0 194.681351 23.0 197.043549 21.0 197.987061 42.0 206.999283 18.0 209.980682 21.0 212.678329 23.0 213.020004 21.0 213.037231 17.0 213.523987 18.0 214.012924 29.0 214.049271 1133.0 214.320999 24.0 215.052353 73.0 215.087799 25.0 215.124496 18.0 216.474762 18.0 219.745865 18.0 222.255386 17.0 231.946625 18.0 240.709503 29.0 241.629547 27.0 242.027664 18.0 246.997467 19.0 247.14476 18.0 248.42392 18.0 251.482819 21.0 268.599884 18.0 276.037384 20.0 277.925385 34.0 294.227142 30.999998 304.422943 31.0 306.993866 18.0 310.62384 18.0 324.768646 18.0 329.918365 33.0 337.345856 20.0 338.650696 17.0 346.689117 20.0 359.292023 17.0 367.702759 20.0 375.548553 19.0 386.304962 18.0 424.993591 18.0 430.898285 18.0 435.452362 17.0 471.629852 34.0 481.10498 18.0 508.167023 19.0 521.111145 20.0 547.359741 17.0 562.27887 18.0 666.085693 17.0 807.594727 23.0 814.757874 18.0 849.511047 19.0 853.504578 59.0 918.030029 27.0 946.892822 23.0 1002.246643 32.0 1005.119202 18.0 1029.367188 19.0 1170.950439 23.0 1179.390381 18.0 1188.040283 21.0 END IONS BEGIN IONS SCANS=353 PEPMASS=306.07624 CHARGE=0 COLLISION_ENERGY=0.0 51.279293 18.0 51.89122 18.0 52.651752 39.0 55.132252 24.0 55.482815 19.0 55.819435 17.0 56.055084 22.0 57.307339 29.0 57.638836 22.0 58.029156 21.0 59.525391 20.0 60.068432 27.0 61.32085 20.0 64.1325 17.0 64.322998 18.0 65.440453 18.0 66.168571 18.0 67.046379 17.0 68.092468 22.0 68.935913 27.0 72.083977 17.0 72.238106 18.0 72.299316 17.0 73.406799 18.0 74.025688 148.0 76.032135 18.0 76.330971 20.0 76.430672 21.0 82.029694 45.0 83.031021 17.0 83.978973 18.0 85.051605 39.0 86.023636 77.0 87.034203 35.0 87.049828 63.0 87.825409 20.0 87.992577 18.0 88.06089 18.0 89.199532 18.0 90.001015 33.0 90.512177 19.0 92.829445 41.0 92.916306 17.0 95.393433 19.0 95.677299 40.0 96.368462 21.0 97.160866 19.0 97.955254 18.0 99.033272 19.0 99.055 280.0 100.003464 19.0 101.072273 61.0 102.053291 43.0 104.954872 18.0 105.863403 24.0 106.712914 20.0 107.062637 39.0 109.076401 18.0 110.107262 33.0 111.009392 18.0 112.03849 18.0 113.022995 27.0 113.072914 37.0 116.193909 18.0 116.810234 21.0 117.930428 20.0 118.270294 35.0 120.015884 22.0 120.380791 20.0 122.286682 18.0 123.058853 75.0 123.090591 18.0 123.171982 22.0 123.668976 20.0 123.955132 22.0 124.036789 18.0 124.054352 17.0 125.035965 43.0 126.021172 31.0 126.056328 20.0 126.534843 44.0 127.050499 110.0 128.035461 980.0 129.037216 18.0 129.960068 20.0 131.074738 18.0 131.227615 20.0 133.03772 78.261505 133.052063 20.0 135.054626 101.0 136.043442 17.0 136.892471 20.0 137.073029 64.0 139.429703 20.0 141.065125 101.0 141.789551 21.0 143.045929 1836.237305 144.045639 108.0 144.720215 20.0 145.064148 83.0 145.24968 20.0 146.048294 161.0 146.734543 18.0 146.962357 75.0 147.012009 18.0 147.039261 19.0 147.204269 18.0 148.053894 33.0 149.035477 26.0 150.041107 20.0 150.91127 17.0 153.063751 245.520966 154.104507 18.0 155.047485 21.0 155.084335 36.0 159.893631 18.0 160.007797 208.0 161.006821 20.0 162.037323 17.0 163.109314 18.0 163.30835 17.0 165.156326 20.0 166.097717 91.0 167.045013 112.0 167.081833 69.0 169.964966 30.0 170.056915 64.0 171.077881 35.0 172.077759 18.0 172.957275 17.0 174.005508 17.0 175.114471 18.0 177.032608 92.0 177.167038 18.0 179.04512 329.285706 179.647156 18.0 180.042679 17.0 181.061203 18.0 182.059128 20.0 184.111313 26.0 185.052353 51.0 186.053467 35.0 187.32077 18.0 192.079849 75.0 193.057098 25.0 193.68689 20.0 194.605774 17.0 196.91481 46.0 197.052536 18.0 198.919083 20.0 199.751511 19.0 204.852142 20.0 210.08728 144.0 211.073074 22.0 211.089676 27.0 224.050491 18.0 227.882599 20.0 228.345474 32.0 236.323685 18.0 237.210831 18.0 238.064041 20.0 242.083084 38.0 242.382599 23.0 242.917587 20.0 243.093826 20.0 243.919724 17.0 245.290527 21.0 246.284409 26.0 247.263184 47.0 249.298599 17.0 254.08049 158.0 260.553802 24.0 262.93924 18.0 263.081696 25.0 265.153656 22.0 266.959045 19.0 272.086853 268.0 273.093201 52.0 273.3367 17.0 280.973114 26.0 282.012573 17.0 283.969788 18.0 288.070251 85.0 288.526672 18.0 290.034821 20.0 302.199371 20.0 306.074951 373.358307 307.08255 46.0 307.109833 21.0 307.154053 38.0 308.086182 19.0 308.141083 18.0 309.082977 37.0 309.169342 35.0 309.964935 25.0 311.542969 27.0 314.361389 18.0 317.229645 18.0 318.548767 34.0 330.43924 32.0 357.349304 26.0 357.439575 18.0 359.817352 21.0 359.840759 28.0 370.512054 18.0 373.627686 18.0 378.078735 22.0 382.242035 33.0 404.048767 18.0 404.112518 40.0 424.021637 34.0 425.839996 20.0 426.932129 18.0 427.385651 20.0 452.978882 18.0 473.067444 18.0 475.067993 18.0 476.573151 18.0 480.851593 22.0 514.349731 19.0 534.825317 18.0 538.624573 18.0 556.834778 19.0 637.151001 18.0 694.083679 20.0 694.770447 34.0 700.940002 18.0 921.151794 22.0 974.901428 21.0 1016.793701 22.0 1080.0448 18.0 1102.021606 20.0 1144.13147 20.0 1156.020752 20.0 1163.567505 22.999998 1175.527344 20.0 END IONS BEGIN IONS SCANS=354 PEPMASS=165.03985 CHARGE=-1 COLLISION_ENERGY=0.0 51.109077 27.0 56.298523 18.0 57.910007 18.0 58.782635 17.0 59.01228 44.0 59.844284 24.0 65.720558 18.0 66.909988 27.0 67.783119 23.0 68.278221 20.0 69.976326 28.0 70.664993 22.0 71.012352 26.0 72.757797 19.0 72.991669 22.0 73.293304 23.0 73.85849 17.0 74.01944 58.0 74.471397 27.0 75.008629 240.0 75.183464 18.0 75.234962 19.0 75.770531 34.0 76.01226 18.0 77.03952 46.0 78.194298 20.0 81.25341 26.0 81.676308 18.0 83.772881 21.0 84.24791 17.0 86.644043 18.0 87.699829 18.0 88.099159 20.0 88.34243 17.0 91.742836 18.0 92.344757 29.0 92.808914 18.0 92.839722 23.0 96.498329 20.0 97.437798 18.0 100.098495 20.0 102.514381 19.0 105.259895 19.0 105.51638 17.0 109.356232 18.0 109.646263 31.0 110.013313 18.0 110.311432 26.0 113.531433 18.0 114.160812 21.0 115.353333 18.0 116.341087 19.0 116.64193 22.0 117.010712 18.0 118.375038 22.0 118.983963 34.0 119.010826 27.0 119.412086 23.0 119.906204 30.0 120.088409 18.0 121.030678 24.0 121.047516 22.0 121.258324 18.0 122.342339 18.0 123.047165 20.0 124.934845 17.0 126.123131 18.0 126.270111 18.0 126.438324 40.0 129.016388 17.0 135.916245 19.0 136.012756 18.0 136.094681 20.0 136.211746 17.0 139.29129 18.0 140.100449 21.0 141.203796 21.0 146.187668 22.0 147.031113 114.0 147.892822 22.0 148.283264 22.0 149.007004 22.0 149.174774 18.0 154.289444 18.0 155.830673 23.0 159.605957 21.0 164.327637 19.0 165.038834 183.0 166.046738 61.999996 167.529449 22.0 168.70636 17.0 169.537186 18.0 169.793198 18.0 171.094437 18.0 173.138596 21.0 173.785233 44.0 174.342392 18.0 177.928268 48.0 180.052368 21.0 182.618225 21.0 189.149338 17.0 190.14595 18.0 191.026108 18.0 191.065948 19.0 197.119873 22.0 197.890564 22.0 219.221252 22.0 224.770691 42.0 225.203659 17.0 225.921295 18.0 227.356445 47.0 230.218613 17.0 233.862808 20.0 238.095215 19.0 243.810989 19.0 248.280701 23.0 249.10466 18.0 250.696335 20.0 250.993546 18.0 251.37149 23.0 262.484009 18.0 291.254242 18.0 294.395477 27.0 299.662659 21.0 310.153778 18.0 311.980713 17.0 335.199524 21.0 340.262451 22.0 341.86441 17.0 357.095367 20.0 359.642975 25.0 364.948761 20.0 372.472809 18.0 377.077698 24.0 379.095398 22.0 383.188507 18.0 386.132751 21.0 392.062408 19.0 402.385712 29.0 402.750885 20.0 418.801117 18.0 428.811768 18.0 469.564026 19.0 481.935242 19.0 482.123505 18.0 482.657104 18.0 485.162567 18.0 487.539948 21.0 495.866516 20.0 533.13269 24.0 534.916382 18.0 556.162476 21.0 653.304138 20.0 815.588379 18.0 820.897156 18.0 825.613647 20.0 878.608398 23.0 898.148682 25.0 902.023804 22.0 997.147705 31.0 1084.269287 17.0 1148.084473 18.0 1156.029175 20.0 1173.528198 18.0 1190.247681 31.0 1194.549805 23.0 END IONS BEGIN IONS SCANS=355 PEPMASS=179.0555 CHARGE=0 COLLISION_ENERGY=0.0 53.284466 18.0 54.13784 18.0 54.154469 23.0 54.549271 18.0 55.657261 18.0 56.303238 20.0 57.725903 35.0 58.222847 31.0 59.494514 17.0 59.792343 20.0 60.055237 17.0 60.647587 39.0 60.700813 17.0 61.259777 18.0 62.462975 19.0 62.720047 51.0 63.165661 36.0 63.890354 18.0 64.845322 21.0 65.630226 21.0 66.112755 26.0 66.175102 18.0 66.345718 18.0 66.752708 17.0 69.405174 19.0 69.762772 27.0 70.455757 23.0 71.014717 19.0 72.235985 18.0 72.988945 18.0 74.260735 18.0 75.006538 78.0 75.14846 24.0 77.037025 58.0 78.219971 23.0 78.393692 23.0 79.545654 19.0 79.834 22.0 81.0317 17.0 81.646919 18.0 82.154564 17.0 83.085541 22.0 83.810379 20.0 83.957314 27.0 84.023659 18.0 84.688171 20.0 86.091003 18.0 87.065567 31.0 87.920883 18.0 89.85582 18.0 89.871155 24.0 89.925522 20.0 90.995674 60.0 92.218819 27.0 92.991982 68.0 93.152664 26.0 96.21579 18.0 97.081886 30.0 99.008369 25.0 99.449036 18.0 100.086166 18.0 100.361504 22.0 100.579918 22.0 101.027107 64.0 102.198441 28.0 103.411491 19.0 104.241249 18.0 104.254761 17.0 104.872185 20.0 105.092125 18.0 106.434807 20.0 108.37838 17.0 108.644753 18.0 109.033348 20.0 110.905563 22.0 112.980713 18.0 113.029686 29.0 117.982735 17.0 120.709335 24.0 122.030098 20.0 123.021675 27.0 123.670265 35.0 124.012535 21.0 125.385201 20.0 127.143845 24.0 127.39727 18.0 128.250854 18.0 131.035767 26.0 132.042007 34.0 133.839127 18.0 134.991638 45.0 135.027512 19.0 135.212479 18.0 135.704865 20.0 136.132111 20.0 136.984253 38.0 137.00386 18.0 138.307343 18.0 138.892868 18.0 140.943604 23.0 142.205063 17.0 142.976547 18.0 144.433365 23.0 147.029175 18.0 149.372345 19.0 158.255844 36.0 158.946976 18.0 160.049789 29.0 161.048676 26.0 161.064682 18.0 161.746811 33.0 161.887787 18.0 166.043274 20.0 170.102188 20.0 171.80983 33.0 172.796661 18.0 172.823654 17.0 175.268509 18.0 179.057648 95.0 179.891861 17.0 181.071091 21.0 185.185211 20.0 185.504349 18.0 186.358994 18.0 186.673203 46.0 187.602997 20.0 190.969025 26.0 191.011002 55.0 193.539581 18.0 194.289124 20.0 196.167816 20.0 197.015121 29.999998 197.982468 46.0 198.76799 21.0 199.157654 24.0 200.794006 25.0 204.312576 22.0 205.057602 18.0 206.247421 18.0 207.053909 23.0 211.582672 20.0 212.74205 24.0 216.360077 19.0 217.408615 40.0 223.566208 22.0 230.943878 24.0 231.678741 25.0 234.487167 20.0 240.140472 25.0 254.003586 33.0 254.891296 18.0 260.358978 26.0 262.064148 66.0 265.237244 21.0 265.319946 22.0 272.429688 21.0 272.568146 18.0 277.117035 22.0 279.813293 19.0 285.445648 19.0 291.34906 18.0 293.005249 38.0 304.500946 22.0 309.132996 17.0 312.117493 17.0 318.480591 22.0 320.264313 18.0 321.68689 25.0 321.957092 18.0 336.224915 19.0 341.105103 46.0 349.804382 30.0 353.197357 30.0 363.078156 21.0 367.900146 22.0 377.089844 17.0 378.090271 26.0 404.115356 19.0 414.593933 24.0 414.690277 18.0 418.029083 29.0 418.671783 18.0 426.749756 51.0 442.369354 27.0 443.057892 22.0 449.487671 18.0 456.177094 28.0 465.233002 19.0 497.947327 29.999998 499.595154 20.0 510.452393 21.0 513.957947 18.0 524.526978 22.0 533.144653 17.0 544.121521 22.0 560.982971 44.0 579.595703 31.0 585.191162 21.0 585.852478 20.0 596.188171 18.0 597.026978 20.0 607.259399 17.0 611.165222 18.0 623.199402 31.0 637.095581 17.0 660.082825 34.0 666.645752 31.0 683.221985 22.0 684.288025 17.0 721.19165 24.0 729.32489 20.0 746.224854 20.0 809.125671 29.0 814.36908 18.0 823.067749 18.0 883.236267 19.0 986.103271 41.0 990.724731 22.0 1012.255066 17.0 1017.752441 17.0 1043.189941 17.0 1044.169922 20.0 1044.666992 18.0 1047.308105 29.0 1048.357788 22.0 1049.275146 20.0 1050.243652 20.0 1066.226562 17.0 1080.411865 42.0 1088.743286 18.0 1097.045532 19.0 1112.775513 20.0 1118.108643 23.0 1127.096436 18.0 1151.231567 22.0 1154.144287 24.0 1173.106201 18.0 1176.06604 22.0 1176.197021 25.0 1185.456909 55.0 1196.287476 18.0 END IONS BEGIN IONS SCANS=356 PEPMASS=404.10375 CHARGE=-1 COLLISION_ENERGY=0.0 55.743244 23.0 57.32893 19.0 57.627728 21.0 58.405529 26.0 60.161858 22.0 61.093567 49.0 61.77943 18.0 61.973198 16.287397 61.987713 5706.584473 62.03017 20.0 62.053822 18.0 62.294899 20.0 62.335361 17.0 62.428673 58.0 62.478775 20.0 62.963642 22.0 62.985641 21.0 63.993416 58.0 64.543327 20.0 64.707726 20.0 64.720657 29.0 65.477448 18.0 66.469734 20.0 69.804237 27.0 71.014397 18.0 71.237564 21.0 73.535835 25.0 74.24086 29.0 76.42646 20.0 77.287613 28.0 77.416168 23.0 80.051537 18.0 80.845039 38.0 81.181664 18.0 82.512787 26.0 82.570656 18.0 84.684807 17.0 84.984726 20.0 89.021797 23.0 91.771431 18.0 92.792091 18.0 98.069832 33.0 98.675407 20.0 99.739746 33.0 99.788643 23.0 101.029221 23.0 101.554497 19.0 105.650276 19.0 106.602463 20.0 107.427475 24.0 112.638947 20.0 113.187256 48.0 117.932007 29.0 122.338936 20.0 122.897728 18.0 123.355827 20.0 124.385551 18.0 125.736572 18.0 128.524948 21.0 128.748398 30.0 129.935715 18.0 131.401535 26.085569 131.412766 20.0 131.909622 18.0 133.98761 22.0 134.684891 18.0 135.729477 20.0 138.58313 26.0 139.336029 17.0 143.978134 22.0 145.453766 42.0 147.029175 20.0 147.896973 24.0 149.053482 21.0 150.630569 21.0 151.053711 19.0 154.605286 26.0 154.815552 23.0 157.768982 17.0 159.157272 22.0 161.037033 21.0 168.775406 23.0 170.858078 19.0 171.792892 33.0 173.829315 25.0 173.925476 27.0 178.698486 23.0 179.047913 17.0 179.557892 18.0 181.409027 25.0 192.97438 39.0 194.041504 31.0 195.667725 22.0 196.967239 20.0 198.075485 22.0 200.141449 21.0 205.282639 17.0 206.613968 18.0 214.390915 19.0 218.987335 26.0 220.260742 23.0 222.152466 18.0 223.937576 27.0 227.109665 22.0 228.225204 19.0 230.745697 22.0 230.981033 24.0 234.721405 25.0 235.280396 18.0 236.101318 18.0 236.353088 21.0 238.393265 20.0 238.434845 18.0 245.448242 20.0 250.80394 21.0 256.606659 22.0 258.20755 20.0 261.063843 20.0 261.373627 22.0 262.926819 27.0 263.552307 22.0 270.059052 21.0 271.1008 17.0 272.825073 33.0 278.351685 28.0 279.704376 22.0 280.066498 26.0 280.751617 20.0 284.024841 21.0 293.123016 34.0 299.968475 18.0 300.981689 18.0 310.765594 20.0 313.983032 20.0 314.017334 28.000002 319.102356 19.0 325.071106 18.0 330.824219 23.0 334.800476 29.0 335.979675 17.0 340.325653 28.0 358.978912 19.0 363.831696 52.0 374.527985 20.0 375.594147 24.0 404.103546 892.327271 405.102325 113.955063 406.111786 20.0 407.073059 17.0 421.214935 32.0 425.790009 18.0 427.997681 22.0 486.992065 18.0 487.176666 20.0 500.962585 18.0 507.577209 17.0 533.142944 36.0 534.372986 17.0 543.097473 21.0 604.16925 59.0 605.167908 18.0 645.425232 20.0 672.629028 18.0 683.201904 17.0 691.807312 18.0 720.136047 17.0 734.533508 18.0 908.88385 20.0 964.227356 24.0 985.663391 23.0 1004.329407 17.0 1047.310547 22.0 1051.178833 18.0 1086.304199 45.0 1101.293823 44.0 1101.817261 21.0 1115.287964 20.0 1126.334351 21.0 1148.564575 18.0 1163.707764 22.0 END IONS BEGIN IONS SCANS=357 PEPMASS=341.10785 CHARGE=0 COLLISION_ENERGY=0.0 56.997826 20.0 57.030693 18.0 59.013649 506.0 59.341331 20.0 67.014793 18.0 69.031158 18.0 71.013916 726.0 73.028336 204.0 73.456871 18.0 74.023628 22.0 79.901283 21.0 81.032654 40.0 83.013397 18.0 85.029144 269.0 85.129097 19.0 86.004257 52.0 87.009132 45.0 89.022934 1045.261475 90.029488 22.0 90.727364 31.0 95.627686 26.0 97.02317 21.0 99.03862 18.0 99.551544 18.0 101.023933 1912.0 102.030426 19.0 103.028725 40.0 108.01915 22.0 113.024933 543.0 114.028854 72.0 114.057259 21.0 114.523285 20.0 114.561424 18.0 115.003746 22.0 115.026184 17.0 115.039238 35.0 117.017403 25.0 119.035088 392.0 120.035423 18.0 122.335556 17.0 126.019211 17.0 127.034706 18.0 128.06366 18.0 130.134598 17.0 131.035553 260.0 132.037994 82.0 133.019043 83.0 134.054245 18.0 135.89679 38.0 136.071671 21.0 138.066101 21.0 139.036835 17.0 143.03299 73.0 144.034729 45.0 147.838943 25.0 149.042374 91.0 150.041992 192.0 152.069702 23.0 155.640259 22.0 157.389069 29.0 158.567917 18.0 158.710571 20.0 159.027374 17.0 160.979858 20.0 161.044128 651.0 162.051849 19.0 163.112946 18.0 177.090179 25.0 179.055145 604.0 180.067001 307.736572 180.484985 20.0 186.889984 20.0 190.059525 18.0 200.912918 24.0 205.27803 21.0 221.068726 733.315308 222.068024 68.0 222.094955 26.0 236.948685 25.0 239.071106 18.0 248.915985 18.0 251.08107 17.0 252.55069 30.0 253.962219 17.0 270.550507 26.0 279.826813 18.0 284.420227 18.0 293.839691 27.0 305.104279 18.0 311.103821 40.0 340.194061 33.0 342.118317 53.0 352.911804 18.0 374.544159 17.0 407.185638 31.0 422.089569 25.0 453.718353 17.0 460.079498 20.0 487.271667 18.0 604.893555 17.0 740.179565 32.0 804.029297 18.0 END IONS BEGIN IONS SCANS=358 PEPMASS=377.08508 CHARGE=0 COLLISION_ENERGY=0.0 52.501801 18.0 59.013939 115.0 59.034058 26.0 61.330914 21.0 65.292564 20.0 70.90963 20.0 71.01358 84.0 71.921585 22.0 73.030548 20.0 73.231049 20.0 74.0373 22.0 83.132668 20.0 84.026581 22.0 85.061699 25.0 87.005722 20.0 88.263916 18.0 89.022942 322.0 94.982475 22.0 100.966812 21.0 101.023468 216.0 102.026672 43.0 104.569641 20.0 105.397293 25.0 113.023972 98.0 113.103592 24.0 115.045547 31.0 115.498924 17.0 119.034813 130.0 125.024864 24.0 125.94046 27.0 128.930847 18.0 131.035675 86.0 139.589417 53.0 141.788193 18.0 143.036346 57.0 144.956619 19.0 145.197845 24.0 149.04483 36.0 150.43187 17.0 152.007889 20.0 152.055603 39.0 153.526276 18.0 154.200958 18.0 155.203934 18.0 155.78331 18.0 158.937622 54.0 161.046097 113.0 163.055939 18.0 163.704788 17.0 176.930145 29.0 179.055862 649.0 180.052551 19.0 181.075806 18.0 181.359009 17.0 190.522659 19.0 194.910782 25.0 199.737656 20.0 202.930191 36.0 216.018524 18.0 220.001999 20.0 221.063461 186.0 226.011429 21.0 229.414154 25.0 244.708557 18.0 251.075912 46.0 270.860046 41.0 271.448059 18.0 271.871704 23.0 281.090729 18.0 292.048615 18.0 293.991608 28.0 308.154633 25.0 311.163879 18.0 311.860107 20.0 323.095245 18.0 334.848083 20.0 335.014771 18.0 341.100891 18.0 341.486969 22.0 344.864471 35.0 345.860809 28.0 349.144745 22.0 358.991669 17.0 361.329407 21.0 362.277557 20.0 369.016296 22.0 371.178925 24.0 377.084991 358.0 378.085785 123.229378 379.079315 185.0 379.135559 18.0 393.651398 18.0 406.317871 18.0 435.20932 30.0 450.597168 17.0 714.275024 19.0 1075.060669 18.0 1166.327271 25.0 1184.473877 38.0 END IONS BEGIN IONS SCANS=359 PEPMASS=566.15653 CHARGE=0 COLLISION_ENERGY=0.0 52.212643 18.0 52.682415 34.0 56.838211 20.0 57.439575 22.0 57.502354 43.0 59.458794 18.0 61.98793 798.0 62.08345 19.0 62.109024 20.0 63.066071 21.0 65.391899 20.0 65.705055 18.0 66.922913 26.0 67.313591 20.0 68.476761 22.0 68.623932 23.0 70.506599 19.0 73.030594 18.0 73.105774 20.0 74.58905 26.0 75.420944 20.0 76.394226 24.0 76.847198 30.0 80.130486 18.0 80.170845 20.0 82.625992 18.0 83.283287 26.0 85.019028 17.0 85.360146 20.0 87.089081 26.0 87.71846 20.0 87.870369 19.0 88.07299 20.0 89.021248 18.0 89.384712 21.0 89.967918 19.0 90.657158 25.0 91.287819 19.0 92.623489 20.0 99.008064 18.0 99.994194 18.0 102.78817 18.0 103.130608 23.0 104.098282 46.0 104.389816 22.0 106.459076 25.0 109.795906 18.0 110.541336 18.0 113.58226 25.0 114.659409 25.0 123.442795 20.0 123.485153 20.0 128.542252 31.0 144.083176 19.0 146.412231 18.0 147.931625 18.0 149.690094 32.0 150.050003 20.0 151.754135 20.0 156.982101 27.0 157.356064 20.0 158.044434 18.0 161.042526 38.0 161.778519 20.0 164.941238 20.0 165.022842 17.0 165.863174 18.0 167.273697 17.0 167.858459 18.0 173.05014 21.0 177.69368 21.0 178.959488 19.0 180.473495 20.0 182.365829 20.0 183.108032 22.0 183.326096 45.0 190.284225 22.0 195.04541 18.0 199.528641 19.0 199.730453 22.0 200.417221 20.0 202.027847 17.0 203.059357 19.0 206.010269 17.0 209.0383 23.0 212.484756 20.0 213.147232 20.0 213.645554 20.0 216.51123 22.0 220.544312 20.0 221.238602 17.0 223.048981 72.0 224.995865 18.0 226.063629 18.0 226.522354 20.0 227.06012 20.0 227.990311 18.0 244.957291 18.0 250.035431 26.0 251.003204 26.0 257.658966 22.0 258.232788 41.0 270.160767 18.0 274.82373 21.0 277.129883 18.0 281.050262 23.0 282.19104 24.0 283.007843 19.0 297.30011 20.0 302.806519 18.0 303.495758 20.0 303.886322 38.0 304.996185 18.0 306.99234 18.0 310.959656 20.0 318.224274 25.0 321.757141 17.0 323.641968 30.0 327.048492 18.0 330.498718 21.0 335.000366 26.0 341.110626 21.0 342.114258 42.0 344.030792 23.0 354.082031 26.0 354.692352 20.0 357.671875 21.0 362.592804 22.0 365.565186 29.0 370.176086 20.0 377.088684 18.0 380.080597 18.0 386.994232 24.0 404.077484 23.0 404.110077 37.0 406.370148 20.0 414.832062 52.0 426.128601 19.0 441.13089 18.0 479.241516 32.0 490.029694 17.0 503.165344 45.0 521.173035 18.0 522.245178 23.0 540.141968 35.0 547.005066 28.0 562.411987 24.0 566.157837 659.0 566.659668 25.0 567.161011 231.0 568.151978 17.0 569.180542 18.0 679.620422 22.0 686.159973 18.0 697.46698 17.0 705.209045 18.0 837.329468 29.000002 897.126953 33.0 958.436035 18.0 1043.966431 25.0 1099.109375 20.0 1116.570557 18.0 1146.619629 32.0 1161.237671 18.0 1165.819092 19.0 END IONS BEGIN IONS SCANS=360 PEPMASS=243.01755 CHARGE=0 COLLISION_ENERGY=0.0 51.354397 21.0 52.259293 20.0 54.652588 17.0 54.948895 20.0 55.901638 27.0 56.60622 24.0 57.380993 18.0 57.947701 18.0 59.013531 84.0 61.989777 39.0 64.201088 25.0 66.796303 20.0 68.031746 18.0 68.939774 22.0 69.468765 22.0 71.013824 75.0 71.465622 18.0 71.750031 28.0 73.385941 18.0 74.026314 20.0 75.569717 18.0 78.365395 18.0 78.848419 18.0 79.956909 1115.0 80.96508 458.0 81.952629 92.0 82.191277 20.0 82.961876 20.0 83.851433 22.0 84.952576 20.0 85.037941 19.0 87.285126 30.0 89.023849 152.886826 93.886353 18.0 95.013802 18.0 95.096169 20.0 97.024948 18.0 98.954521 19.0 99.230515 17.0 101.022003 18.0 103.192329 20.0 105.967041 20.0 108.114571 19.0 108.434227 22.0 111.391472 20.0 112.822166 26.0 113.029343 49.0 113.904305 17.0 115.336739 18.0 115.517502 19.0 116.099663 18.0 117.040306 21.0 118.289062 17.0 118.869904 18.0 119.024422 27.0 122.516907 20.0 122.810028 18.0 124.140274 18.0 125.978027 26.0 126.161499 32.0 126.682899 24.0 138.998749 18.0 139.854477 20.0 142.419876 22.0 144.426834 20.0 146.156021 20.0 146.965027 25.0 149.903473 18.0 151.67543 20.0 152.326935 20.0 152.910583 18.0 154.413269 23.0 154.614395 23.0 160.517181 18.0 165.651169 18.0 165.849915 20.0 166.009949 19.0 173.553802 18.0 174.510544 20.0 174.953415 18.0 176.593826 19.0 178.916229 22.0 180.856812 27.0 182.624924 22.0 183.966782 23.0 188.773438 18.0 190.440002 17.0 195.899643 19.0 198.984802 26.0 204.789276 17.0 207.182083 24.0 213.763931 18.0 224.858978 58.0 225.000626 24.0 226.206741 18.0 226.46582 18.0 227.054245 18.0 229.104218 24.0 236.103928 18.0 236.524872 22.0 239.756821 23.0 240.880035 18.0 241.913589 18.0 242.075775 19.0 243.018112 6072.245117 244.020828 557.0 245.016586 415.189606 245.21814 18.0 248.71843 25.0 250.007935 26.0 261.33197 26.0 265.456238 18.0 276.661499 20.0 277.977264 18.0 279.384094 19.0 299.065979 23.0 313.455505 18.0 332.675934 26.0 345.954651 22.0 366.845245 21.0 393.005157 20.0 443.375977 18.0 507.687683 24.0 519.525146 18.0 523.934204 23.000002 547.374084 19.0 550.82428 20.0 1007.91571 23.0 1038.670654 20.0 1077.272217 31.0 1136.218262 18.0 1148.125854 18.0 END IONS BEGIN IONS SCANS=361 PEPMASS=549.16651 CHARGE=-1 COLLISION_ENERGY=0.0 54.658607 18.0 59.013714 255.0 60.015987 18.0 60.925953 30.0 63.034847 19.0 63.23875 18.0 65.271454 25.0 69.029808 22.0 70.228432 17.0 71.013626 668.0 71.051826 33.0 71.25235 27.0 73.029724 667.364868 73.778603 18.0 74.225792 27.0 74.519676 21.0 75.006371 19.0 81.035187 61.0 81.98243 21.0 83.012962 262.0 84.014099 18.0 85.028687 75.0 87.010521 78.0 87.043678 22.0 89.02401 1013.0 90.028984 35.0 90.343941 18.0 91.363205 18.0 97.028412 721.0 97.173622 28.0 97.308304 29.0 98.032906 106.0 99.042816 83.0 99.558136 18.0 101.003822 22.0 101.023529 2923.0 102.0271 199.835861 103.028198 18.0 103.039932 20.0 107.033661 17.0 112.442741 18.0 113.024231 597.0 114.028221 47.0 115.039169 381.688507 119.033302 837.0 120.752396 17.0 121.043869 20.0 121.700951 18.0 125.024765 158.0 127.007317 20.0 131.034927 134.0 132.045212 29.0 133.050079 82.0 135.465347 20.0 138.091599 29.0 138.572235 22.0 139.735245 40.0 142.352158 28.0 142.865707 24.0 143.035995 1350.0 143.252731 21.0 144.036301 68.0 146.372314 20.0 149.044556 198.0 152.052765 18.0 160.036667 27.0 161.013367 17.0 161.045288 10404.022461 161.121185 20.0 161.457352 33.0 161.487762 17.0 162.047668 730.0 162.307327 17.0 163.046005 38.0 163.443756 21.0 164.052078 22.0 165.022842 17.0 167.032486 17.0 167.102127 18.0 168.073517 22.0 172.956009 20.0 175.028778 40.0 179.055328 4069.377197 180.058777 273.0 181.058594 39.0 183.026764 20.0 192.461334 17.0 209.065674 38.0 217.751968 22.0 221.066757 2697.568359 222.070602 272.0 223.077896 29.0 246.09964 33.0 251.075012 18.0 261.875092 20.0 262.46167 28.0 263.077179 917.0 263.702423 18.0 264.080109 70.0 271.053284 31.0 275.066681 32.0 279.957001 18.0 281.027924 24.0 281.088776 1241.0 282.091858 161.0 283.093842 43.0 287.077148 20.0 288.012268 21.0 303.031281 19.0 303.973938 27.0 305.009888 20.0 305.100494 18.0 306.085938 27.0 322.074615 30.0 323.065582 24.0 323.09494 63.0 329.087524 29.0 341.105103 1925.529785 342.044189 24.0 342.109589 394.0 342.495941 20.0 343.116211 119.0 368.78302 20.0 370.664825 17.0 371.104187 19.0 383.119171 4517.0 383.25882 20.0 384.123779 631.0 385.121552 188.0 386.399567 20.0 387.15097 21.0 387.38327 18.0 398.547699 18.0 399.987885 20.0 409.850403 18.0 413.979492 23.0 419.429382 20.0 424.40213 43.0 425.07196 20.0 425.128754 1355.0 425.898071 18.0 426.1362 191.0 427.136963 37.0 433.852051 17.0 437.032959 17.0 443.140259 363.0 444.147766 91.000008 445.14035 18.0 469.122559 17.0 502.972534 17.0 503.162384 443.0 504.160706 215.0 505.170929 97.0 506.161255 19.0 506.444672 19.0 511.221497 18.0 549.163879 43.0 550.179382 17.0 551.100891 18.0 563.30426 22.0 591.171875 43.0 609.170715 17.0 615.955688 18.0 759.678101 20.0 766.756348 26.0 1012.644104 18.0 END IONS BEGIN IONS SCANS=362 PEPMASS=566.15672 CHARGE=-1 COLLISION_ENERGY=0.0 50.20406 20.0 51.824173 30.0 51.960426 22.0 52.073586 27.0 53.498158 33.0 54.462139 21.0 55.685684 20.0 56.138199 17.0 57.653839 51.0 58.638409 28.0 60.72596 21.0 61.987907 5399.305176 62.292622 20.0 62.454891 19.0 62.788155 18.0 62.882469 18.0 62.986885 49.0 63.539402 17.0 63.56797 23.0 63.992764 18.0 64.107117 23.0 64.277023 24.0 65.804344 17.0 66.473389 18.0 67.384743 19.0 67.744919 20.0 67.777115 18.0 68.300629 24.0 70.395248 18.0 70.915436 26.0 71.31794 19.0 71.855972 18.0 72.951256 26.0 73.272141 18.0 74.236549 18.0 75.414375 18.0 76.293694 21.0 76.424011 20.0 76.4506 18.0 77.934212 46.0 78.699211 18.0 79.341705 22.0 82.888924 22.0 83.18512 29.0 83.770638 22.0 87.420021 18.0 88.249191 19.0 90.026283 20.0 91.064812 52.0 93.049202 18.0 93.337929 21.0 93.971733 17.0 97.030617 19.0 99.544083 18.0 101.00943 21.0 101.02404 96.0 101.055069 30.0 102.023422 40.0 102.510834 21.0 102.729492 17.0 103.074852 30.0 105.121658 20.0 105.630791 18.0 106.694733 27.0 107.692329 18.0 108.389511 18.0 109.162231 18.0 109.980453 18.0 110.063354 21.0 110.939568 18.0 111.578804 20.0 112.246346 23.0 112.980057 18.0 113.023041 48.0 113.157875 22.0 114.164597 18.0 115.036827 18.0 118.995117 30.0 119.033157 71.0 125.021568 17.0 125.950226 18.0 126.24836 25.0 126.505692 20.0 126.956924 73.0 128.667175 18.0 129.867981 22.0 132.247177 19.0 132.419952 20.0 133.117523 18.0 140.607376 21.0 143.027847 39.927528 143.040604 24.072472 144.032196 24.0 147.224838 21.0 148.988876 21.0 149.046051 29.0 149.571899 18.0 149.600723 19.0 149.931442 17.0 150.102097 22.0 153.081284 20.0 153.348907 26.0 157.976761 17.0 159.128708 33.0 159.198914 24.0 159.769684 38.0 160.043289 18.0 161.045349 237.0 161.196243 19.0 161.574966 20.0 162.054062 45.0 167.093567 20.0 170.653809 20.0 174.408661 20.0 175.686417 17.0 178.963287 17.0 179.059265 187.0 181.075363 30.0 181.193069 17.0 181.408752 18.0 191.022156 62.0 191.867996 23.0 195.782761 56.0 197.202759 23.0 198.756195 18.0 202.355545 26.0 203.088943 22.0 204.795502 19.0 206.419891 17.0 206.794479 19.0 208.407501 33.0 212.68251 20.0 214.954758 20.0 216.305481 25.0 219.858292 17.0 221.065735 94.0 222.073364 69.0 230.038361 24.0 231.941956 22.0 246.791779 20.0 248.070145 20.0 250.189972 29.0 251.780121 19.0 253.516907 18.0 257.570343 26.0 258.253296 20.0 260.774017 19.0 263.087006 22.0 264.427155 20.0 268.599304 22.0 270.746826 21.0 273.71933 18.0 275.893036 25.0 281.087067 84.0 281.251556 18.0 285.300629 20.0 295.372742 18.0 305.029388 18.0 309.125763 48.0 316.909729 20.0 324.998413 17.0 326.115936 21.0 326.587311 29.0 329.801331 17.0 341.084076 29.0 341.106445 27.0 342.117859 23.0 349.058044 32.0 354.699219 24.0 361.372467 23.0 368.722107 23.0 372.092743 20.0 383.123505 169.0 425.126587 18.0 426.12439 22.0 427.12851 18.0 431.143219 17.0 442.799835 22.0 461.21933 24.0 477.102661 40.0 494.047516 18.0 503.152679 60.0 504.166443 20.0 505.068817 19.0 522.997375 18.0 526.051514 18.0 528.150513 17.0 539.167175 22.0 540.133606 23.0 549.159058 20.0 564.023376 29.0 565.147766 18.0 566.157593 5298.0 566.370544 20.0 567.162659 1732.084961 567.313232 26.0 568.166382 134.0 569.167053 36.0 571.460693 24.0 573.15332 22.0 574.262634 18.0 577.499084 18.0 586.089172 20.0 610.199219 18.0 611.21991 22.0 629.19397 19.0 656.972107 18.0 673.214966 48.557793 683.225464 18.0 685.200928 19.0 705.703857 20.0 743.228638 23.0 783.291992 18.0 795.19043 18.0 807.253174 17.0 843.378113 24.0 849.16864 18.0 849.262146 18.0 933.109253 21.0 942.552673 22.0 980.188232 26.0 1007.337708 65.0 1007.507996 20.0 1008.3396 65.0 1009.34729 37.0 1035.355591 18.0 1046.302002 20.0 1048.130615 18.0 1066.279907 18.0 1070.305542 18.0 1073.295532 18.0 1075.319458 22.0 1089.081421 18.0 1122.196533 18.0 1124.203735 18.0 1131.246338 18.0 1132.774292 22.0 1140.778198 51.0 1151.349121 20.0 1153.735596 36.0 1156.329102 20.0 1165.318237 20.0 1168.532471 18.0 1177.372803 22.0 1181.86499 18.0 1182.93335 20.0 1190.789307 20.0 1193.800415 18.0 END IONS BEGIN IONS SCANS=363 PEPMASS=503.16102 CHARGE=0 COLLISION_ENERGY=0.0 50.455795 18.0 50.480228 37.0 50.531742 20.0 51.484287 20.0 52.165577 26.0 52.219536 24.0 52.346745 18.0 53.175869 29.0 53.923801 22.0 54.694305 36.0 54.757675 20.0 55.899689 18.0 56.682831 17.0 58.620907 27.0 58.791206 19.0 59.011818 37.0 59.017826 24.0 61.986115 20.0 63.351532 19.0 66.908936 21.0 67.693649 30.0 68.188431 18.0 69.596848 20.0 70.035118 24.0 71.013824 116.0 71.973816 23.0 72.423866 22.0 72.492813 18.0 72.891304 18.0 73.030228 90.0 73.216309 18.0 74.635979 26.0 74.786362 18.0 77.819298 26.0 79.160461 19.0 79.547203 20.0 80.235001 27.0 80.909851 20.0 82.27681 20.0 82.38903 26.0 82.427414 18.0 82.782532 20.0 83.00856 21.0 83.701141 22.0 84.203003 34.0 84.272247 18.0 84.675919 18.0 85.031494 39.0 86.049332 18.0 86.852776 21.0 87.001205 19.0 87.441345 21.0 88.390106 18.0 89.00351 18.0 89.024773 221.772705 89.704201 36.0 90.573219 25.0 91.350281 20.0 94.585106 18.0 95.015099 17.0 95.29731 23.0 95.353554 18.0 95.883667 18.0 96.085396 28.0 97.029266 82.0 97.728432 26.0 99.009598 76.0 99.044823 26.0 99.821671 20.0 99.844803 32.0 100.7192 18.0 101.02243 316.0 101.328568 23.0 102.139359 18.0 102.526451 27.0 102.832924 27.0 103.937492 18.0 104.068161 20.0 104.267105 30.0 104.701324 19.0 104.94239 26.0 105.287071 18.0 105.985374 20.0 106.526138 20.0 111.41552 22.0 111.7808 18.0 112.339317 19.0 112.41748 37.0 112.52803 18.0 113.02903 47.0 113.174324 22.0 114.014091 18.0 114.026054 20.0 114.496605 40.0 115.031952 18.0 116.037956 20.0 116.927597 18.0 117.826797 25.0 119.033844 127.0 119.227417 18.0 119.428619 30.0 123.168053 18.0 123.374931 22.0 125.027512 56.0 127.744064 23.0 128.541016 20.0 131.033524 24.0 132.455963 18.0 133.689026 26.0 134.05513 23.0 134.091492 41.0 135.555252 19.0 140.158737 21.0 143.037598 141.0 144.037109 21.0 146.903244 20.0 146.962372 19.0 149.048782 29.0 150.942032 30.0 161.045929 418.0 162.172195 25.0 162.980148 17.0 163.045685 27.0 164.37291 18.0 165.02243 18.0 165.639206 18.0 166.273285 17.0 173.949448 26.0 176.597046 23.0 178.756943 18.0 179.056854 316.539917 179.514023 24.0 180.054749 20.0 189.655518 18.0 191.187622 26.0 191.836227 23.0 203.586243 24.0 207.68988 19.0 209.059998 18.0 210.110504 20.0 210.42395 19.0 214.516388 62.0 214.84642 18.0 217.068817 26.0 219.260269 18.0 220.958893 41.0 221.007294 24.0 221.064362 289.0 221.599869 25.0 222.072021 36.0 223.458237 20.0 223.800583 17.0 229.201859 22.0 231.647812 19.0 231.775375 17.0 231.904358 17.0 234.03743 21.0 238.971329 28.0 242.335434 18.0 244.608887 18.0 245.069595 33.0 245.742493 63.0 247.633774 19.0 251.475494 20.0 257.107697 38.0 258.962494 22.0 259.244507 18.0 263.077393 58.0 264.076172 23.0 265.075409 18.0 265.481354 18.0 281.070465 86.297798 286.051575 18.0 287.130402 27.0 290.139771 25.0 293.001923 26.0 302.468811 18.0 308.041168 18.0 312.034576 18.0 320.142609 22.0 322.042786 20.0 322.366028 18.0 324.426483 20.0 325.098297 21.0 327.972595 18.0 337.077332 17.0 340.31012 28.0 341.105011 57.0 349.759338 28.0 352.766693 19.0 355.627045 18.0 357.088623 20.0 372.027252 27.0 374.251007 42.0 381.568726 21.0 383.116852 225.0 384.129608 59.0 389.986908 18.0 391.00235 18.0 391.671173 18.0 392.00061 17.0 405.974304 18.0 410.114838 18.0 426.189209 18.0 459.329254 28.0 485.510712 17.0 501.85376 20.0 503.142639 18.0 504.164307 17.0 530.548889 18.0 534.037903 19.0 539.127563 27.0 540.154053 42.0 562.124756 19.0 565.047852 18.0 566.157837 159.0 567.159729 23.0 578.068298 25.999998 591.208191 28.0 601.113281 19.0 622.153931 18.0 637.290222 23.0 644.121521 18.0 650.239929 50.0 669.56427 18.0 671.231079 31.0 681.076416 17.0 687.19104 18.0 736.950256 18.0 752.407227 18.0 771.082336 27.0 823.95636 20.0 839.095581 19.0 839.17334 18.0 849.149902 26.0 889.315063 23.0 909.263 50.0 929.2948 23.0 947.281433 19.0 966.07605 19.0 1007.325745 22.0 1008.324402 98.0 1009.310364 28.0 1010.322388 25.0 1025.210571 20.0 1028.042969 18.0 1029.331299 18.0 1060.232056 23.0 1062.244995 18.0 1065.328369 22.0 1071.35022 19.0 1073.273071 19.0 1074.513916 18.0 1082.219238 30.0 1089.241821 24.0 1096.327759 18.0 1105.719482 18.0 1110.484375 22.0 1122.396851 20.0 1139.086182 20.0 1170.827515 18.0 1175.332397 24.0 1176.391724 17.0 1176.628052 18.0 1183.765137 18.0 1185.192749 18.0 1189.881226 26.0 1190.404541 21.0 1192.65332 17.0 END IONS BEGIN IONS SCANS=364 PEPMASS=669.20887 CHARGE=0 COLLISION_ENERGY=0.0 50.410145 17.0 50.537792 17.0 51.558853 17.0 52.884827 26.0 55.531246 18.0 57.033028 20.0 58.15258 20.0 58.499573 17.0 58.873737 21.0 59.082623 23.0 62.455162 18.0 63.872871 18.0 66.636269 20.0 67.408089 18.0 68.427208 24.0 73.639343 20.0 74.471436 26.0 74.499817 18.0 75.007431 69.0 75.226128 36.0 79.089485 23.0 79.632645 26.0 84.832848 48.0 85.027641 27.0 85.043633 20.0 85.384422 18.0 87.930779 18.0 88.832405 17.0 89.434044 21.0 90.405777 17.0 90.535591 32.0 94.354408 18.0 95.361481 22.0 96.962723 22.0 99.010094 37.0 100.607529 53.0 100.889084 31.0 101.020256 20.0 102.02626 18.0 102.077332 17.0 102.186363 18.0 102.280106 17.0 103.021797 20.0 103.679314 18.0 105.027977 25.0 105.98053 23.0 108.876328 21.0 109.207779 17.0 110.727997 18.0 111.000175 23.0 111.144051 20.0 112.008865 18.0 114.326088 18.0 115.408012 20.0 118.516312 30.0 119.522858 20.0 119.667183 22.0 120.927979 20.0 122.09481 19.0 122.169571 39.0 122.769897 24.0 126.186378 18.0 127.511475 24.0 129.020432 27.0 129.481003 24.0 130.041122 18.0 131.223267 24.0 136.924576 18.0 143.96788 38.0 145.050095 18.0 146.561249 24.0 147.028107 96.0 147.924911 22.0 149.104507 22.0 150.71788 27.0 153.595932 48.0 155.511475 18.0 155.550323 18.0 161.046204 25.0 162.043762 28.0 162.69046 18.0 162.98381 61.0 163.021179 98.0 163.196106 20.0 165.039902 7629.967285 165.631302 22.0 166.045822 248.0 166.08522 22.0 166.137115 26.0 166.152725 18.0 166.985657 19.0 167.002991 36.559731 167.045334 147.0 167.874832 17.0 168.026733 18.0 170.671616 22.0 172.575668 18.0 173.730179 22.0 174.972824 17.0 180.528732 18.0 188.323837 20.0 189.880722 23.0 190.824661 18.0 190.991943 18.0 191.017319 48.0 191.501801 20.0 199.654938 24.0 202.04155 19.0 205.049988 25.0 205.574432 19.0 211.014496 18.0 211.460861 18.0 221.722809 18.0 223.048126 17.0 224.976807 17.0 234.822983 18.0 238.407471 65.0 239.056717 17.0 244.053894 22.0 245.976074 19.0 247.281815 42.0 249.026749 21.0 250.025116 20.0 253.074448 23.0 255.483307 18.0 260.395691 18.0 265.077972 19.0 265.268555 23.0 270.058624 22.0 274.525665 28.0 293.017181 18.0 302.150543 18.0 320.841339 22.0 321.120392 43.0 325.405212 19.0 335.019043 27.0 337.073822 18.0 338.611084 26.0 338.764374 26.0 339.094727 20.0 352.693695 21.0 355.557678 21.0 369.753662 30.0 384.122498 37.0 394.031769 18.0 400.999542 18.0 402.994049 18.0 417.97702 18.0 423.498993 18.0 425.045563 20.0 432.747498 34.0 433.553802 26.0 434.997681 18.000002 437.034851 146.0 438.032532 24.0 439.034241 74.0 443.139648 17.0 451.092194 41.0 468.109955 18.0 476.016937 17.0 479.588501 19.0 483.050842 40.0 485.393402 19.0 487.530731 21.0 494.269318 17.0 496.051727 18.0 496.979797 19.0 497.06723 37.0 503.070374 18.0 503.183197 19.0 505.033508 92.0 506.02948 93.0 513.894226 32.0 518.958374 17.0 528.129089 18.0 533.131042 18.0 536.14801 21.0 539.142212 48.0 540.515442 20.0 552.152832 56.0 553.130676 22.0 557.077148 71.0 558.076904 57.0 564.04364 20.0 565.089905 21.0 566.178589 57.0 568.167725 17.0 589.278442 18.0 600.179565 30.0 624.047974 17.0 634.566101 27.0 637.18457 17.0 651.164062 20.0 653.195496 18.0 669.222168 94.0 670.221375 86.0 671.186096 18.0 672.196228 19.0 678.782043 20.0 689.244507 18.0 695.119263 20.0 695.179382 23.0 714.917664 20.0 771.112 45.0 776.923584 17.0 787.18866 20.0 842.291992 28.0 845.268555 17.0 850.225098 20.0 884.923706 18.0 888.28894 21.0 926.005859 41.0 948.217712 18.0 995.424744 18.0 1007.336426 18.0 1022.907349 18.0 1030.143311 18.0 1031.184204 18.0 1032.323242 21.0 1044.33252 62.0 1061.213501 18.0 1070.069702 35.0 1084.330566 19.0 1088.231567 20.0 1094.220581 26.0 1109.30957 20.0 1110.296387 18.0 1113.134888 27.0 1134.983521 17.0 1137.241455 26.0 1140.044922 17.0 1148.231812 18.0 1174.235229 19.0 1174.672852 18.0 1178.313843 17.0 1189.820435 17.0 END IONS BEGIN IONS SCANS=365 PEPMASS=337.07702 CHARGE=-1 COLLISION_ENERGY=0.0 55.432728 26.0 55.658817 26.0 56.944561 18.0 57.589787 27.0 59.011448 19.0 60.707455 18.0 61.621502 20.0 61.988476 31.0 63.384926 20.0 64.001259 18.0 68.997643 35.0 69.034653 45.0 69.633736 19.0 70.470078 20.0 71.016701 93.0 71.271645 20.0 71.320915 20.0 72.045074 27.0 72.990959 34.0 73.030678 37.0 75.004433 51.0 76.009796 20.0 76.757416 17.0 78.94368 25.0 80.159973 18.0 83.014717 43.0 83.494682 18.0 83.739235 49.0 83.861839 20.0 84.74604 17.0 85.026794 122.0 85.39283 18.0 86.984612 18.0 87.010345 25.0 87.044464 35.0 88.205933 17.0 89.022957 52.0 89.713287 17.0 91.563629 24.0 91.728607 63.0 91.872658 33.0 94.114616 45.0 94.160042 20.0 94.687286 18.0 94.734856 20.0 95.0131 38.0 95.062935 31.0 96.090057 18.0 97.031799 21.0 99.008713 331.0 99.784454 26.0 100.048897 20.0 101.02552 98.0 101.488655 18.0 102.033958 55.0 102.791351 22.0 102.9533 26.0 109.158188 25.0 111.01001 105.0 111.041565 18.0 112.00898 18.0 112.984856 17.0 113.024117 283.0 113.99556 1208.0 114.025444 18.0 115.004913 602.0 116.165878 18.0 120.001877 17.0 121.920258 18.0 123.041794 26.0 123.582008 18.0 124.434753 19.0 124.613281 18.0 124.945343 21.0 125.024185 17.0 125.723991 20.0 125.882614 20.0 126.841736 22.0 127.002808 147.0 127.033035 16.896875 127.044075 22.103125 128.010132 38.0 129.016846 117.0 129.306747 18.0 130.200089 30.0 131.041565 56.0 134.116043 22.0 136.209076 18.0 139.00499 102.0 139.192673 18.0 139.447128 17.0 141.015976 69.0 141.660187 38.0 143.272446 19.0 144.124191 21.0 144.1716 18.0 144.374725 17.0 145.684921 20.0 146.044861 53.0 146.94014 37.0 147.712006 18.0 150.391769 17.0 151.002411 60.0 153.765564 24.0 155.792404 27.0 156.006012 44.0 156.869278 20.0 156.893127 25.0 157.014557 611.0 158.018539 98.0 160.846985 19.0 160.891418 36.0 161.040512 20.0 162.196472 22.0 162.932114 20.0 165.064972 24.0 165.341324 20.0 165.680847 25.0 165.716583 34.0 167.032166 44.0 169.015289 155.0 172.967972 38.0 173.042984 40.0 173.296982 20.0 173.349838 43.0 173.962616 17.0 174.017609 2335.257568 175.022385 573.0 176.02951 53.0 178.497925 18.0 179.867172 17.0 182.050446 62.0 183.49614 18.0 183.988495 24.0 185.016663 18.0 185.307877 46.0 186.691574 45.0 188.137131 19.0 190.163895 18.0 190.689484 18.0 191.74617 19.0 195.028763 18.0 195.475098 45.0 196.106888 18.0 196.278595 19.0 196.924438 22.0 201.043716 46.0 203.983353 18.0 207.390945 24.0 213.99057 18.0 219.049194 39.0 220.861069 18.0 222.182007 22.0 222.481628 20.0 225.133545 26.0 225.780426 20.0 230.982269 24.0 233.072876 32.0 233.852997 25.0 236.181488 18.0 239.093277 56.0 239.242645 18.0 241.92897 20.0 243.889343 18.0 245.889008 22.0 246.007065 20.0 246.90033 18.0 252.851181 19.0 256.861267 18.0 264.731934 19.0 271.799164 23.0 276.791779 21.0 277.056641 2809.252686 277.093536 18.0 277.714081 25.0 278.05777 354.0 279.061096 109.0 279.098236 22.0 281.863678 17.0 289.37439 18.0 291.014008 52.043194 293.971283 17.0 299.762543 21.0 300.847321 38.0 306.331665 21.0 314.03714 20.0 315.372284 18.0 319.062897 56.0 320.057343 20.0 332.060333 19.0 336.858551 18.0 336.997864 17.0 337.077484 8568.0 338.078522 1127.0 338.197601 24.0 338.550629 19.0 339.084167 329.0 339.198151 117.0 339.414154 18.0 340.086761 34.0 340.201813 38.0 353.781586 18.0 377.077454 36.0 379.086182 17.0 397.185974 19.0 404.096375 20.0 405.062805 17.0 405.099518 19.0 409.503387 22.0 414.973663 20.0 424.08017 18.0 425.327026 35.0 433.011414 19.0 451.114197 59.0 453.501343 22.0 453.546478 18.0 463.003601 22.0 480.068542 18.0 480.918915 22.0 539.138 49.0 542.181824 18.0 543.171265 27.0 660.960938 18.0 761.051392 18.0 762.685059 26.0 771.57428 18.0 816.124329 26.0 911.431519 24.0 930.529846 31.0 972.66748 34.0 975.012817 22.0 992.164368 30.0 995.85614 18.0 1005.37616 20.0 1051.894165 20.0 1060.62439 42.0 1067.197754 25.0 1076.328003 18.0 1079.251099 17.0 1087.058716 26.0 1116.301025 20.0 1135.042358 34.0 1146.119629 18.0 1151.610352 17.0 1157.175537 22.0 1189.967651 22.0 END IONS BEGIN IONS SCANS=366 PEPMASS=566.15656 CHARGE=-1 COLLISION_ENERGY=0.0 50.175674 24.0 51.955456 32.0 53.12458 24.0 53.553959 18.0 56.065338 22.0 56.246479 23.0 56.903152 20.0 57.475094 19.0 58.051464 21.0 59.553093 18.0 60.329876 18.0 60.846386 28.0 61.121609 24.0 61.987541 1917.0 62.984032 36.0 63.991924 73.0 65.810532 18.0 65.910805 20.0 66.069832 24.0 66.414001 25.0 67.607834 20.0 72.512276 17.0 74.081024 18.0 75.518898 18.0 78.064232 53.0 78.959106 18.0 78.983467 18.0 83.379379 18.0 86.057869 19.0 86.854546 20.0 87.171783 20.0 87.188461 19.0 90.724289 19.0 90.907166 22.0 93.020256 26.0 94.344864 21.0 95.950989 39.0 97.568985 18.0 98.172432 18.0 101.023354 20.0 104.473541 28.0 109.884087 22.0 114.486946 17.0 115.00853 18.0 115.026115 26.0 115.775139 26.0 116.556717 24.0 117.146744 18.0 119.032776 17.0 119.952568 21.0 120.455055 19.0 120.72094 17.0 122.525146 21.0 123.088562 19.0 126.499535 20.0 126.763992 18.0 128.588547 20.0 130.389496 18.0 130.90361 18.0 131.039581 17.0 132.374908 20.0 133.184113 21.0 138.170654 17.0 139.881973 18.0 142.013931 30.0 146.964447 37.0 148.402679 20.0 151.136902 35.0 156.402267 18.0 159.133667 42.0 161.045425 76.0 162.047531 24.0 162.882294 27.0 165.015549 18.0 165.740723 18.0 169.472504 20.0 175.590424 18.0 179.047806 17.0 179.060226 44.920803 180.059143 20.0 181.430862 19.0 187.126068 28.0 193.032288 22.0 200.157318 18.0 206.631729 22.0 215.533707 18.0 218.737671 19.0 220.608261 22.0 221.06636 212.0 222.079056 34.0 225.008286 21.0 227.271439 18.0 247.029694 24.0 247.081299 19.0 249.460724 36.0 250.34024 19.0 259.657562 18.0 263.006866 34.0 263.071808 84.0 267.068176 21.0 272.639557 27.0 273.194885 20.0 277.085693 22.0 281.089691 136.0 283.528473 17.0 289.044159 17.0 294.043549 24.0 297.063568 18.0 310.632202 21.0 311.72995 18.0 314.918976 18.0 317.907471 18.0 326.990295 20.0 336.970612 20.0 341.111633 22.0 347.709534 18.0 353.533844 18.0 374.948059 20.0 380.508545 17.0 383.132874 18.0 387.206299 20.0 425.142395 20.0 425.795319 18.0 426.123718 18.0 427.152618 26.999998 433.817596 18.0 443.279083 24.0 452.421051 17.0 457.815613 18.0 459.8367 18.0 462.582947 18.0 472.268494 20.0 473.360687 18.0 483.244537 18.0 503.160034 74.0 504.16806 20.0 539.146423 88.0 540.141785 20.0 566.157288 1551.0 566.440186 22.0 567.160645 407.381104 567.86554 18.0 568.169067 162.0 588.202881 20.0 601.14563 28.0 639.946106 18.0 789.44574 24.0 831.973755 17.0 844.059448 17.0 854.984375 18.0 879.115234 20.0 941.573242 18.0 989.035034 17.0 1009.954407 20.0 1015.280518 17.0 1019.013428 20.0 1036.284424 19.0 1044.596069 18.0 1050.197998 22.0 1057.23938 18.0 1068.04834 20.0 1073.581055 18.0 1087.705933 24.0 1097.921753 17.0 1108.506226 18.0 1109.096802 21.999998 1112.050293 18.0 1134.82959 17.0 1135.575562 18.0 1155.022705 33.0 1165.342041 18.0 1188.106323 25.0 1197.718506 26.0 1197.89209 18.0 END IONS BEGIN IONS SCANS=367 PEPMASS=267.0713 CHARGE=-1 COLLISION_ENERGY=0.0 50.875759 19.0 51.334267 18.0 51.776142 19.0 52.004959 18.0 52.312168 24.0 53.188179 18.0 53.74102 18.0 53.883656 18.0 54.345261 18.0 55.038692 22.0 56.625935 20.0 57.032825 60.0 57.716114 32.0 57.78817 28.0 58.440304 23.0 58.638031 25.0 59.012882 535.0 60.016426 18.0 60.288242 24.0 60.414722 18.0 60.522079 18.0 60.750195 23.0 62.001686 18.0 62.405056 17.0 63.121696 24.0 65.475983 20.0 65.672752 19.0 67.202805 26.0 67.691177 26.0 68.288994 18.0 68.933311 17.0 68.996155 22.0 69.033455 18.0 69.153671 20.0 69.880722 21.0 70.154999 23.0 70.742569 33.0 71.013 989.0 71.994759 20.0 72.021202 65.0 72.329826 20.0 73.027649 157.0 73.509468 18.0 75.008148 520.0 75.974266 20.0 77.459007 19.0 79.474197 22.0 79.590179 17.0 79.8508 17.0 80.815689 18.0 81.518288 18.0 81.644691 17.0 83.011917 42.0 83.16423 18.0 83.303871 23.0 84.020233 82.0 84.353081 22.0 85.028992 1144.346802 86.024147 22.416786 86.035713 73.583214 86.17347 18.0 87.007263 856.0 87.03511 18.0 87.579468 17.0 88.011703 17.0 89.023766 850.140381 90.025101 76.0 91.038536 101.0 91.530472 22.0 92.967659 17.0 93.163559 18.0 95.012764 272.0 96.023476 35.0 97.427452 20.0 98.509628 26.0 99.007477 463.0 99.143311 28.0 99.277733 18.0 100.011391 44.0 101.022942 59.0 101.210793 47.0 101.430626 17.0 102.370811 18.0 102.527596 20.0 103.003471 93.0 103.937553 18.0 104.001549 43.0 104.885315 19.0 105.194855 25.0 106.322075 18.0 107.447472 20.0 107.794403 18.0 110.006966 24.0 111.005135 34.0 111.044182 18.0 111.523468 19.0 112.017113 87.0 113.023674 3246.470459 113.277435 26.0 113.988541 18.0 114.025421 192.0 114.094017 26.0 115.002296 80.0 115.028336 18.0 116.004051 23.0 116.847717 18.0 117.018478 213.648285 118.432358 18.0 119.01445 18.0 120.652504 18.0 122.072762 18.0 122.118332 23.0 125.375252 27.0 127.003151 18.0 127.822433 21.0 128.609879 19.0 129.018265 176.0 130.024994 39.0 130.057312 18.0 131.033737 79.0 131.075775 26.0 131.795364 18.0 132.564804 20.0 133.015717 20.0 133.054489 22.0 135.031708 19.0 136.310745 28.0 139.101395 27.0 139.670349 18.0 142.899841 26.0 145.003601 31.0 145.66423 21.0 146.01973 45.0 146.811508 20.0 147.032959 40.0 147.182068 18.0 148.05542 18.0 149.046097 94.0 151.059845 18.0 154.933701 20.0 157.010757 122.0 160.207199 20.0 160.46553 24.0 160.553192 34.0 160.999786 23.0 161.014526 18.0 161.504974 30.0 163.96402 18.0 164.002548 19.0 165.046371 18.0 166.050583 54.0 166.405075 21.0 169.598984 17.0 173.590607 24.0 173.613541 18.0 174.616852 18.0 175.025452 215.0 175.977859 18.0 176.02478 62.0 176.421753 20.0 177.126465 17.0 177.98616 20.0 178.285263 31.0 178.341537 20.0 178.718094 27.0 178.97731 21.0 180.950012 100.0 183.042999 22.0 184.148285 35.0 190.383438 38.0 191.055664 98.0 191.345718 22.0 192.969498 20.0 194.038406 42.0 195.452866 18.0 196.225098 17.0 197.854843 18.0 198.04834 23.0 199.095795 17.0 201.327698 17.0 203.059998 38.0 204.911224 24.0 205.061615 58.0 205.154053 18.0 206.073135 18.0 207.050766 385.0 208.048935 18.0 209.093307 21.0 210.051437 28.0 211.03215 17.0 212.047318 21.0 214.016464 20.0 217.202408 18.0 218.832718 23.0 218.884109 18.0 219.839554 18.0 219.860382 36.0 220.968979 20.0 221.837753 22.0 222.252686 20.0 222.86438 42.0 223.08107 18.0 227.78096 25.0 229.820862 18.0 230.659775 18.0 230.775955 18.0 234.034561 22.0 236.459122 18.0 238.861969 38.0 239.107468 18.0 239.334534 26.0 242.259995 20.0 242.88208 22.0 245.046158 18.0 247.422729 18.0 249.061264 585.0 249.371323 36.0 250.063644 20.0 251.139496 18.0 254.821289 23.0 258.876343 54.0 265.428436 18.0 266.058746 21.0 267.071198 4481.676758 267.141937 63.0 268.014557 24.0 268.076019 653.0 268.994995 17.0 269.070099 108.0 269.11911 18.0 269.251129 18.0 276.587402 18.0 277.904633 18.0 280.050415 18.0 280.769684 20.0 281.172943 29.0 283.371552 18.0 290.944763 34.0 291.026184 20.0 296.929932 22.0 297.815155 18.0 299.156494 17.0 301.487 17.0 307.329224 22.0 318.664612 18.0 320.989868 18.0 332.893738 18.0 333.082123 17.0 335.057495 32.0 340.19455 19.0 350.967346 18.0 351.612091 18.0 352.051849 36.0 352.9104 18.0 355.939209 18.0 358.961304 18.0 359.3396 18.0 367.633362 41.0 396.860779 25.0 409.487549 18.0 414.589294 20.0 424.547302 20.0 433.123596 18.0 438.991577 19.0 440.231873 20.0 460.984589 22.0 462.227722 20.0 463.05661 22.0 481.078461 21.0 488.587982 18.0 491.377899 17.0 520.001526 17.0 559.142883 22.0 566.167847 18.0 592.141907 18.0 609.191345 40.0 610.170166 29.0 621.197205 20.0 627.025391 26.0 673.158142 45.0 676.724731 20.0 710.077759 18.0 727.091309 22.0 734.155701 23.0 736.322144 18.0 809.037659 20.0 842.352966 23.0 844.945679 18.0 942.156433 18.0 984.17572 22.0 988.769409 19.0 999.892456 24.0 1022.04071 36.0 1034.178101 25.0 1059.056152 18.0 1063.619995 17.0 1077.338501 19.0 1079.163452 17.0 1087.598022 24.0 1094.179688 24.0 1104.886963 20.0 1107.220215 18.0 1115.204102 18.0 1122.043457 25.999998 1137.986084 18.0 1148.573975 18.0 1155.613647 18.0 1165.181274 20.0 1166.098511 20.0 1167.224243 56.0 1168.169067 18.0 1199.704346 29.0 END IONS BEGIN IONS SCANS=368 PEPMASS=243.01759 CHARGE=0 COLLISION_ENERGY=0.0 50.01989 18.0 50.350983 18.0 51.022148 34.0 52.658127 20.0 55.281078 18.0 56.25909 21.0 56.543907 24.0 57.62495 21.0 58.697815 18.0 60.002384 18.0 60.21014 20.0 62.755157 20.0 64.056847 17.0 65.000984 19.0 65.905647 22.0 66.147186 17.0 66.917145 17.0 67.569908 19.0 67.972687 22.0 68.641273 21.0 68.680862 18.0 69.177689 20.0 70.310974 17.0 71.015793 54.0 78.324913 20.0 79.799934 18.0 79.956123 332.0 80.964592 1226.0 81.349495 17.0 81.476311 17.0 81.793274 20.0 82.515106 22.0 82.748367 18.0 82.960472 21.0 82.968712 20.0 83.336296 17.0 83.476273 24.0 83.725456 17.0 85.348892 24.0 85.970421 18.0 85.983543 24.0 87.010155 22.0 87.282967 19.0 88.985725 17.0 89.021423 95.0 89.551033 22.0 91.127968 21.0 94.292809 17.0 95.014915 54.0 97.028969 20.0 101.027458 134.0 101.275574 20.0 101.901344 20.0 106.393814 27.0 107.301842 18.0 113.025101 136.0 113.721146 18.0 114.028259 44.0 115.025543 21.0 121.166367 29.0 127.954224 18.0 131.293137 39.0 131.932755 19.0 132.667496 22.0 136.936005 25.0 139.425446 18.0 143.034836 21.0 144.119949 18.0 145.56926 18.0 145.89093 21.0 146.96582 38.0 147.1129 17.0 148.189575 21.0 150.994003 23.0 151.163315 22.0 152.695709 18.0 155.706558 24.0 157.910995 20.0 161.048477 54.0 161.281479 63.0 163.977615 25.0 164.196487 17.0 165.504837 18.0 167.968994 18.0 168.768723 22.0 169.067581 25.0 176.166412 18.0 179.059677 18.0 179.520569 21.0 180.13295 17.0 180.698395 54.0 181.123199 18.0 190.45929 17.0 195.831482 27.0 203.044785 21.0 206.061478 33.0 209.08403 17.0 210.418579 18.0 214.968033 19.0 215.272385 19.0 219.976547 25.0 221.305176 18.0 221.587936 18.0 227.965988 20.0 242.076736 21.0 243.017822 2979.277832 244.022873 257.0 244.077118 18.0 245.018784 327.0 245.962326 27.0 247.693253 18.0 248.930679 18.0 250.90509 21.0 260.231171 22.0 265.150635 18.0 267.349854 22.0 281.086456 21.0 285.361115 24.0 306.779999 24.0 309.588959 20.0 311.464905 21.0 333.366821 25.0 336.924561 18.0 337.07373 33.0 339.148438 18.0 339.38678 20.0 341.293793 19.0 343.898682 36.0 346.286896 20.0 348.435303 18.0 359.510834 18.0 361.162994 17.0 362.180359 21.0 368.124084 22.0 429.93985 18.0 436.516663 27.0 449.204895 20.0 462.987579 18.0 469.573486 20.0 470.951935 20.0 474.059418 18.0 478.075104 18.0 494.274445 18.0 503.1698 22.0 504.082672 18.0 509.070862 23.0 519.130371 18.0 556.828003 33.0 565.905457 17.0 566.147095 40.0 568.933594 17.0 580.304077 18.0 584.816223 20.0 587.516479 18.0 644.386475 22.0 657.204956 21.0 662.766846 21.0 719.690002 18.0 719.889954 21.0 798.082703 20.0 813.285645 25.0 815.189636 22.0 827.471313 18.0 859.128418 20.0 870.99646 20.0 922.614868 23.0 951.255676 18.0 978.458923 17.0 984.039307 24.0 1010.991943 53.0 1022.409302 17.0 1023.246826 20.0 1023.663574 20.0 1062.200806 18.0 1074.846191 17.0 1077.87793 36.0 1083.110718 21.0 1088.274658 17.0 1095.00061 18.0 1099.881592 20.0 1141.796631 17.0 1164.181885 18.0 1168.218506 18.0 1170.231567 21.0 1189.568115 25.0 1190.269043 20.0 END IONS BEGIN IONS SCANS=369 PEPMASS=539.13778 CHARGE=-1 COLLISION_ENERGY=0.0 59.013027 83.0 59.725468 17.0 63.914787 20.0 66.29715 23.0 71.012756 69.0 73.02581 65.0 77.381966 20.0 78.870834 22.0 79.02253 17.0 81.862656 18.0 83.525826 23.0 85.022881 18.0 87.006454 60.0 88.525879 20.0 89.024582 246.0 92.823257 22.0 97.029678 54.0 99.007111 27.0 101.023651 293.0 101.795975 22.0 102.000237 22.0 102.026611 63.0 102.378548 21.0 113.021469 37.0 115.038361 43.0 119.03791 164.0 123.683685 18.0 125.028862 33.0 128.996429 17.0 129.941132 19.0 131.031189 36.0 136.635391 24.0 143.036148 284.0 149.040741 26.0 150.362625 19.0 155.826996 24.0 161.04483 881.0 161.116135 17.0 161.667236 29.0 162.045456 37.0 166.165344 26.0 167.035568 18.0 179.056229 1039.0 180.05127 68.0 180.65538 18.0 188.660919 31.999998 189.95932 33.0 191.397507 19.0 198.055679 21.0 199.110733 19.0 201.98439 18.0 219.010498 20.0 221.065735 341.0 222.627777 23.0 226.594528 19.0 237.088638 18.0 238.363846 20.0 243.894272 18.0 247.834885 23.0 251.076981 44.0 252.056 20.0 254.062424 19.0 257.568024 18.0 263.080353 41.0 268.481354 17.0 281.028503 23.0 281.082947 178.0 291.668518 18.0 307.720428 20.0 311.10672 20.0 321.066223 22.0 323.0979 91.0 341.110992 352.0 342.119141 58.0 344.111328 29.0 346.265625 27.0 367.600006 24.0 377.671844 23.0 382.517487 19.0 383.118317 919.0 383.826996 19.0 384.117279 211.0 384.509399 29.0 404.964447 27.0 424.981781 18.0 425.128693 164.599548 426.133881 25.0 428.977081 18.0 431.851013 17.0 442.426178 18.0 443.141266 121.0 445.997742 26.0 463.169922 25.0 491.517853 26.999998 502.639435 18.0 502.838104 19.0 503.159882 960.0 504.164276 122.0 504.551361 17.0 539.137207 1751.0 540.140808 256.0 540.227783 18.0 541.137024 713.132019 542.139648 139.0 544.04541 18.0 550.275513 19.0 576.541687 18.0 678.912598 23.0 684.213806 17.0 1040.376587 18.0 END IONS BEGIN IONS SCANS=370 PEPMASS=1007.33074 CHARGE=-1 COLLISION_ENERGY=0.0 58.966499 17.0 71.014969 44.0 97.028526 18.0 101.025681 87.0 113.023277 25.0 114.030502 24.0 114.939972 29.0 119.026794 30.0 120.042114 25.0 131.044235 25.0 143.035263 109.0 143.704086 24.0 161.045029 756.0 162.042114 51.0 162.123291 17.0 173.041458 17.0 179.055038 869.0 179.443512 19.0 180.058609 104.0 208.692551 20.0 217.699799 18.0 221.064743 121.0 251.077255 91.0 252.079483 23.0 263.075287 74.0 268.005066 18.0 268.294708 18.0 268.348206 24.0 268.593781 27.0 281.088409 179.0 282.089539 37.0 306.085388 21.0 317.182098 34.0 323.095612 77.0 324.101501 20.0 330.712219 20.0 341.032776 17.0 341.108215 766.0 342.111389 78.0 342.292023 26.0 346.553253 28.0 365.535522 18.0 376.100433 24.0 377.091156 41.0 383.118805 317.0 384.123688 19.0 385.356354 18.0 400.523254 20.0 410.310638 18.0 425.127869 396.0 426.124634 27.0 427.133972 44.0 430.195099 22.0 443.132965 35.0 443.229645 19.0 444.145721 18.0 479.80484 17.0 482.339752 18.0 485.158356 42.0 495.657013 17.0 502.081299 17.0 502.243988 20.0 503.040466 37.0 503.158905 1575.999268 503.221893 18.0 504.163025 276.0 505.167053 47.0 593.541565 34.0 661.419983 20.0 665.213501 55.0 666.210327 27.0 785.265808 20.0 787.624146 18.0 789.037415 40.0 819.501343 19.0 845.05896 20.0 845.273438 184.0 846.293701 35.0 887.282898 34.0 929.299438 38.0 947.32312 18.0 953.074585 18.0 989.309204 18.0 1007.32251 199.0 1008.34491 79.0 1009.337463 62.0 END IONS BEGIN IONS SCANS=371 PEPMASS=549.16666 CHARGE=-1 COLLISION_ENERGY=0.0 51.894466 28.0 51.975155 18.0 53.034077 22.0 53.914963 28.0 54.332409 18.0 54.427799 18.0 54.493908 21.0 55.01762 38.0 55.564175 18.0 57.613224 24.0 57.675793 42.0 58.005375 29.0 59.013302 740.0 59.144733 20.0 60.016884 19.0 63.129669 18.0 65.05323 18.0 65.153763 20.0 67.947929 32.0 68.998375 25.0 69.126335 17.0 69.332291 18.0 69.75576 18.0 71.013405 1105.0 71.047951 52.0 71.310043 19.0 71.39872 18.0 72.016541 18.0 72.569672 17.0 73.029106 590.0 74.019165 20.0 74.028473 42.0 74.41964 17.0 74.466614 18.0 74.550209 17.0 75.007248 19.0 77.714981 23.0 78.785118 38.0 79.003464 23.0 79.016754 22.0 80.802483 18.0 81.03582 141.0 83.013016 156.765839 84.651024 20.0 85.028404 57.0 85.817871 18.0 85.998863 17.0 87.006599 202.0 87.023468 23.0 87.043655 39.0 87.09449 20.0 88.771515 18.0 89.023689 3297.0 89.183243 20.0 89.454933 24.0 89.770142 38.0 89.815384 18.0 89.88134 19.0 90.029587 101.0 90.98806 20.0 91.031082 28.0 91.200821 17.0 93.100502 30.0 94.14782 36.0 95.012413 115.0 95.04171 29.0 95.507423 26.0 95.924545 24.0 97.030235 764.0 97.836601 22.0 98.034851 24.0 98.699272 18.0 99.008881 18.0 99.045998 90.0 99.440849 19.0 99.955536 18.0 100.930519 22.0 101.024124 4669.381836 101.142303 18.0 101.346817 22.0 101.62709 18.0 102.027641 272.0 102.150337 24.0 103.027641 39.0 103.099075 43.0 103.31778 26.0 104.843796 24.0 105.837265 18.0 107.03627 52.944191 108.18618 18.0 109.096924 18.0 111.005478 18.0 111.442627 18.0 111.564644 24.0 113.024025 1204.0 113.410812 18.0 114.029678 106.0 115.039162 374.0 115.865608 18.0 115.894882 18.0 118.491867 17.0 119.034042 2688.0 119.68605 18.0 120.037674 198.0 120.336716 18.0 121.040947 39.0 121.580566 18.0 123.173378 18.0 125.023148 210.899292 126.032509 30.0 127.032257 18.0 127.377235 36.0 127.58506 22.0 131.034378 500.0 131.766418 18.0 132.037445 25.0 132.449417 18.0 132.661057 21.0 134.597473 23.0 136.348648 19.0 138.197845 28.0 139.032852 40.0 139.286484 17.0 141.000916 25.0 141.01889 33.0 141.139191 20.0 143.034897 2585.0 143.777344 18.0 144.039795 156.0 144.422516 22.0 145.035843 63.277294 145.050385 17.722708 148.6828 20.0 149.044556 431.919189 149.691025 27.0 150.052414 17.0 151.293747 18.0 152.042496 27.0 152.293091 18.0 152.99791 33.0 154.15506 17.0 155.258759 21.0 155.746658 19.0 158.021225 20.0 158.162018 18.0 159.027466 55.0 160.388443 19.0 160.848312 38.0 160.991089 22.0 161.045029 9292.144531 162.004898 24.0 162.048828 668.989075 162.785156 18.0 163.02771 36.0 163.047424 130.0 163.165375 27.0 164.058975 18.0 166.141068 25.0 167.036484 19.0 171.649597 19.0 173.038391 18.0 173.568848 18.0 177.03949 20.0 177.3022 22.0 178.900742 18.0 179.055313 9868.09668 179.391083 18.0 179.843109 20.0 179.946808 18.0 180.06041 592.0 180.1194 17.0 180.85379 21.0 181.059326 200.0 181.273727 17.0 182.059753 20.0 184.791397 22.0 184.812759 39.0 185.047684 87.0 185.331726 20.0 185.612427 33.0 185.671448 18.0 187.690582 23.0 189.142044 25.0 189.416336 17.0 193.83609 21.0 196.945374 18.0 197.035263 27.0 202.014755 23.0 202.772995 31.0 205.641876 17.0 205.960724 25.0 208.885284 17.0 213.520493 36.0 216.471512 27.0 219.393936 26.0 221.06543 3241.957764 221.110443 28.0 222.066742 254.0 223.074005 83.0 229.485596 18.0 230.065506 18.0 231.690536 37.0 233.059586 19.0 235.084305 19.0 236.557587 20.0 240.78981 18.0 246.003632 17.0 249.005325 20.0 249.040421 18.0 249.063965 22.0 251.014374 22.0 251.077866 101.0 252.07193 18.0 254.293442 19.0 255.087265 19.0 255.288574 31.0 259.018768 18.0 263.076752 839.0 263.208252 18.0 263.901672 18.0 264.079803 141.0 265.071106 18.0 265.278839 17.0 270.151794 18.0 270.171082 18.0 271.412079 18.0 281.087189 1084.298462 282.08725 120.0 283.089783 18.0 292.310394 18.0 293.084534 18.0 295.257568 18.0 299.935852 18.0 303.327576 18.0 304.69519 20.0 305.084167 63.0 306.089966 18.0 311.09967 42.0 319.774506 18.0 322.9646 17.0 323.097046 1726.0 324.067352 19.0 324.102081 117.0 325.10553 97.0 327.402832 20.0 330.221771 21.0 333.340149 21.0 341.107544 3281.0 342.11203 501.0 342.943665 18.0 343.109772 203.0 343.383698 17.0 353.680389 21.0 354.949615 26.0 367.153656 21.0 376.098969 37.0 376.120789 44.0 377.696198 28.0 381.124786 18.0 381.640167 18.0 383.119263 4211.751953 383.299347 18.0 384.124969 488.098145 385.13385 55.0 386.565094 18.0 386.955536 29.0 403.364288 18.0 411.761383 21.0 412.99118 27.0 425.13089 753.0 425.181366 18.0 425.887146 18.0 425.975433 20.0 426.129181 170.0 427.13504 46.0 428.11853 18.0 431.68457 17.0 443.139282 154.0 444.015686 34.0 444.149628 46.0 467.14621 22.0 502.138489 18.0 502.945404 18.0 503.1604 17757.246094 503.759064 18.0 504.163727 3461.0 504.4505 17.0 505.0737 18.0 505.166779 730.0 505.702179 38.0 506.173737 66.0 507.2836 19.0 508.872101 31.0 542.117798 18.0 549.164856 652.0 550.164734 179.0 551.152649 18.0 560.558167 17.0 566.184937 18.0 609.187073 29.0 620.083069 18.0 626.700012 22.0 636.2005 18.0 636.678223 19.0 652.531982 20.0 672.221558 21.0 676.467041 26.0 687.946594 18.0 846.885864 18.0 880.273376 122.0 881.238953 20.0 902.504395 22.0 1008.348572 37.0 1013.483215 20.0 1043.322998 18.0 1046.760132 20.0 1061.255981 26.0 1092.326904 18.0 1160.890869 20.0 1179.994019 26.0 1188.216309 18.0 END IONS BEGIN IONS SCANS=372 PEPMASS=503.1611 CHARGE=-1 COLLISION_ENERGY=0.0 50.293163 18.0 52.93338 18.0 53.896435 38.0 54.058083 17.0 55.020027 22.0 55.057755 20.0 56.688625 18.0 57.034935 28.0 57.56398 18.0 59.012161 140.0 59.02737 18.0 60.011463 25.0 60.665665 18.0 61.432423 19.0 63.0452 18.0 69.222488 36.0 71.013725 404.0 71.048088 45.0 72.639359 18.0 73.028282 142.0 73.249352 22.0 73.623795 18.0 78.034683 18.0 80.09462 28.0 80.678406 18.0 81.039513 49.0 83.01075 38.0 83.80056 18.0 84.023773 21.0 85.030479 36.0 86.393806 17.0 86.751617 26.0 87.005829 18.0 87.453995 18.0 88.024475 26.0 89.023857 727.0 89.042862 22.0 89.904144 22.0 90.031746 20.0 90.463219 28.0 91.981918 23.0 92.368774 20.0 94.796371 23.0 97.028099 205.0 99.040619 21.0 99.087814 18.0 101.02433 1309.0 101.458115 19.0 101.878418 18.0 102.027237 57.0 102.974747 19.0 103.038109 18.0 104.079582 26.0 106.088371 28.0 106.547813 20.0 108.076195 29.0 110.413147 25.0 112.00621 20.0 112.946045 18.0 113.023552 405.0 114.096352 20.0 115.040024 80.0 116.087189 18.0 116.777977 20.0 118.238556 25.0 119.034241 541.875854 120.032806 44.0 120.753738 22.0 125.02137 39.0 128.647797 17.0 130.48381 19.0 131.034332 81.0 133.050079 52.0 133.102341 23.0 133.854919 27.0 134.44989 17.0 134.864639 18.0 138.453552 22.0 139.04126 18.0 139.444885 24.0 143.034622 248.0 144.049042 31.0 145.412781 20.0 145.85672 18.0 146.084457 23.0 147.350372 24.0 149.043625 100.0 149.833481 18.0 151.898102 22.0 160.960007 18.0 161.0439 1124.0 161.730026 20.0 162.044724 108.0 162.984039 17.0 163.057922 36.0 163.269089 18.0 164.06636 20.0 167.030396 37.0 169.323029 20.0 174.802048 22.0 177.094452 52.0 179.055725 1736.0 179.376358 17.0 180.013275 21.0 180.057343 111.0 181.059296 41.0 182.849243 19.0 187.108215 22.0 193.246933 17.0 193.646591 18.0 197.750702 17.0 199.646072 19.0 200.187515 18.0 200.370422 18.0 201.86496 18.0 206.736893 42.0 210.655014 18.0 212.523712 18.0 215.362045 20.0 221.064758 731.0 222.068085 20.0 223.067825 21.0 223.954971 20.0 224.258774 18.0 231.15567 18.0 231.395645 18.0 235.217209 30.0 239.890457 62.0 241.625839 20.0 242.469254 17.0 248.186142 18.0 251.872284 42.0 254.350952 26.0 263.074066 74.0 263.694305 21.0 274.580353 20.0 278.255371 31.0 281.083984 213.0 282.090515 20.0 283.971527 27.0 285.208435 18.0 288.45639 21.0 301.946533 20.0 304.828522 20.0 306.912994 22.0 307.357208 19.0 308.583527 22.0 311.096375 25.0 315.382751 29.0 315.485077 22.0 319.226501 57.0 323.082184 43.434635 323.111816 18.0 324.10672 26.0 339.114441 17.0 341.104004 254.0 341.917023 25.0 342.096619 23.0 343.106201 47.0 343.178314 17.0 356.812866 18.0 358.540588 18.0 376.089996 17.0 379.430573 18.0 380.760437 17.0 381.323975 17.0 383.117554 375.0 384.121521 42.0 384.639801 18.0 387.029114 34.0 387.21402 18.0 392.660553 17.0 403.600555 18.0 414.731781 22.0 425.119049 39.0 479.424194 19.0 503.162323 650.0 503.922638 23.0 504.165497 272.0 504.260071 18.0 508.052124 24.0 522.430603 20.0 539.134521 37.0 543.137268 17.0 611.176819 18.0 615.997375 22.0 620.194885 18.0 636.194153 17.0 672.245239 17.0 683.192322 20.0 742.076904 20.0 849.566467 18.0 882.25354 18.0 909.285706 31.000002 985.258667 27.0 1007.344055 59.0 1008.29834 19.0 1032.305054 17.0 1032.385376 27.0 1047.383545 51.0 1057.797363 17.0 1060.526733 17.0 1112.302612 20.0 1140.189087 35.0 1183.045776 20.0 1198.383057 20.0 1199.762451 18.0 END IONS BEGIN IONS SCANS=373 PEPMASS=566.15679 CHARGE=-1 COLLISION_ENERGY=0.0 50.059319 22.0 50.678619 27.0 53.41692 22.0 53.869564 17.0 54.136326 19.0 55.089428 24.0 55.829033 20.0 55.961731 20.0 56.212151 22.0 56.982674 19.0 57.983803 17.0 58.272335 28.0 58.344772 22.0 58.354435 23.0 61.148109 18.0 61.745018 34.0 61.987514 10910.480469 62.013493 19.0 62.078693 20.0 62.202156 17.0 62.415874 35.0 62.540615 21.0 62.608116 30.0 62.634007 18.0 62.715496 20.0 62.970108 18.0 62.984482 91.862785 63.060646 53.0 63.126648 18.0 63.233871 20.0 63.291058 18.0 63.514744 18.0 63.807457 18.0 63.990284 46.0 64.483063 25.0 66.011879 18.0 66.094658 20.0 68.384003 18.0 68.744896 20.0 69.09626 18.0 70.362518 20.0 71.012985 39.0 74.802223 21.0 76.076424 20.0 77.354858 18.0 79.401871 22.0 82.219749 18.0 82.4086 20.0 84.55864 20.0 87.007141 17.0 87.922386 17.0 88.59877 18.0 89.022064 38.0 90.415611 30.0 90.43251 26.0 91.636497 22.0 93.565804 18.0 98.4272 18.0 100.434395 18.0 101.025696 93.0 101.42012 40.0 102.531113 18.0 105.580582 18.0 107.090057 18.0 109.972603 18.0 110.578049 18.0 110.783401 18.0 111.675369 30.0 111.695282 18.0 111.941772 20.0 113.02832 18.0 114.531349 18.0 117.895714 18.0 119.034317 40.0 122.975121 21.0 124.518799 18.0 126.186371 35.0 127.040504 22.0 129.948944 26.0 131.23996 23.0 133.957489 19.0 135.342163 51.0 139.806915 18.0 140.690979 40.0 140.765671 18.0 141.307907 20.0 142.54686 18.0 143.032013 20.0 143.081284 22.0 145.358307 20.0 152.635361 18.0 154.467697 18.0 155.124374 18.0 156.433838 20.0 159.331345 22.0 161.046219 204.0 167.498688 18.0 168.451324 18.0 170.245377 19.0 173.098831 20.0 175.984299 22.0 179.056122 40.0 181.763916 18.0 184.09462 31.999998 188.154846 18.0 189.05983 24.0 189.513458 19.0 189.989365 20.0 190.204025 18.0 191.0634 26.0 192.448135 20.0 192.898407 20.0 194.87146 29.0 195.500977 17.0 197.079041 33.0 197.33754 22.0 197.81781 18.0 208.758026 20.0 212.345184 21.0 214.094803 34.0 221.061615 35.0 223.588058 18.0 227.957169 26.0 231.915588 20.0 234.051239 18.0 235.612076 30.0 238.517776 42.0 249.346481 30.0 251.080917 27.0 256.770081 19.0 258.82135 28.0 263.064636 21.0 263.492126 27.0 265.145996 17.0 267.1474 24.0 280.531738 33.0 288.861725 20.0 301.491669 18.0 304.458832 21.0 304.667328 23.0 307.291229 37.0 312.897797 20.0 313.532562 21.0 314.347931 17.0 323.100708 21.0 325.09433 18.0 328.10083 27.0 340.089508 17.0 341.106476 86.0 342.106293 19.0 348.941681 18.0 350.708313 23.0 353.257538 19.0 356.683289 18.0 361.001343 19.0 362.796326 27.0 372.498596 22.0 373.016174 18.0 376.100494 287.0 377.100647 67.0 378.098907 18.0 381.006622 20.0 383.11499 180.0 383.204041 19.0 384.125519 38.0 386.523102 38.0 404.002838 20.0 413.129089 18.0 425.132385 61.0 426.135406 33.0 437.042816 18.0 438.235901 18.0 443.153992 19.0 444.344391 18.0 446.597382 18.0 450.860474 20.0 451.108246 18.0 460.069885 19.0 463.226807 18.0 470.393768 18.0 488.046967 18.0 494.762177 20.0 495.743927 21.0 503.164062 158.0 504.159302 141.0 505.167023 19.0 514.196777 17.0 518.368896 22.000002 541.126465 21.0 543.835693 21.0 549.162659 18.0 557.857788 22.0 563.607483 22.0 564.418152 18.0 566.15686 12484.328125 566.338867 22.0 566.487061 22.0 567.15863 2683.0 568.164307 957.0 569.168396 156.0 571.141357 37.0 581.397949 20.0 584.562622 20.0 593.172363 18.0 601.186462 24.0 609.837952 22.0 611.364563 26.0 617.114319 18.0 625.338074 18.0 627.777039 18.0 633.927917 17.0 635.270203 20.0 646.497314 19.0 649.232849 18.0 668.198547 18.0 703.405945 18.0 711.253784 25.0 749.362793 20.0 757.58374 18.0 880.257385 224.0 881.271484 22.0 881.324585 18.0 882.272095 35.0 902.220825 47.171379 916.886353 26.0 917.153076 17.0 929.295837 18.0 947.320862 20.0 949.32373 20.0 961.222595 26.0 968.267212 18.0 989.440186 18.0 1007.320557 179.0 1008.342346 60.060638 1054.350342 24.0 1061.254272 61.0 1085.812134 33.0 1090.771484 18.0 1120.255371 17.0 1153.422241 18.0 1170.530151 18.0 1191.781616 26.0 END IONS BEGIN IONS SCANS=374 PEPMASS=639.19841 CHARGE=0 COLLISION_ENERGY=0.0 75.009254 83.0 75.603462 25.0 88.037148 41.0 89.02182 18.0 115.002846 36.0 117.018425 118.0 118.022415 20.0 132.030807 226.0 133.014587 289.79245 133.03624 108.20755 133.996368 22.0 134.017273 121.0 134.052597 20.0 135.029465 5708.942383 135.062744 18.0 135.203949 18.0 135.533066 20.0 135.728043 25.0 135.965454 17.0 135.976791 21.0 136.034622 215.0 136.254898 18.0 136.291229 39.0 136.499054 19.0 136.8638 18.0 136.990601 267.0 137.034439 40.0 137.354065 20.0 162.051041 22.0 165.039612 112.0 180.8564 35.0 214.322723 21.0 232.166382 22.0 251.816666 18.0 263.074982 17.0 292.779175 19.0 297.089874 17.0 298.077576 20.0 313.571045 18.0 331.904083 20.0 372.261841 18.0 376.09137 36.0 390.137726 27.0 416.941101 17.0 425.130798 18.0 428.070892 24.0 429.141632 23.0 430.051514 29.0 434.217987 19.0 462.995941 26.0 490.067566 17.0 526.475708 24.0 588.126953 27.0 595.947632 17.0 639.206055 94.0 640.19873 91.0 642.20282 47.0 643.265686 18.0 829.068848 20.0 END IONS BEGIN IONS SCANS=375 PEPMASS=376.10096 CHARGE=-1 COLLISION_ENERGY=0.0 70.042358 37.0 71.013435 20.0 71.635925 18.0 76.818382 23.0 78.958588 3346.612549 79.967461 40.0 80.026711 19.0 80.189583 18.0 95.503235 24.0 96.969627 1625.0 97.028397 38.0 97.394737 19.0 98.819878 18.0 98.974388 47.0 99.92289 18.0 103.981705 28.0 104.607536 20.0 112.175606 19.0 113.026962 31.0 118.876541 18.0 120.744286 46.0 120.966339 20.0 122.001694 86.0 123.687653 18.0 124.014488 21.0 125.024117 83.985252 126.032379 21.0 131.855301 35.0 136.032501 18.0 136.960861 22.0 137.985764 18.0 138.977142 20.0 139.95726 18.0 140.011398 4105.34082 140.479172 18.0 140.768738 27.0 140.961914 19.0 141.015121 53.0 143.029526 39.0 144.958069 20.0 145.397018 22.0 146.017715 38.0 150.035614 19.0 152.46965 20.0 152.996078 18.0 156.741287 31.0 159.941101 18.0 162.982162 20.0 172.039017 19.0 175.78595 26.0 180.986801 18.0 182.021698 159.0 183.031418 21.0 187.868118 37.0 195.528732 45.0 196.042984 23.0 196.471603 20.0 196.859589 18.0 197.798019 24.0 200.866852 20.0 204.996597 40.0 206.020782 68.0 218.944519 19.0 221.858429 20.0 223.000229 186.0 223.867142 22.0 224.035034 199.342773 226.876846 21.0 228.040451 26.0 236.868591 17.0 241.004318 23.0 242.010818 17.0 244.645691 18.0 248.03035 73.0 252.724411 17.0 256.831696 36.0 264.112854 18.0 268.05777 18.0 270.865295 23.0 281.946808 18.0 284.053711 71.0 285.059967 51.0 290.842773 21.0 294.214905 37.0 300.871735 18.0 301.796539 18.0 310.403809 29.0 315.048462 4526.083008 316.05426 374.0 316.921204 20.0 317.049622 150.0 318.059448 54.0 318.470917 18.0 329.067688 54.0 330.884491 18.0 332.281036 31.0 333.024963 33.0 333.05835 179.66301 334.067627 39.0 335.054565 18.0 337.005096 18.0 338.965851 23.0 344.857788 18.0 345.755859 20.0 347.762787 21.0 360.840149 28.0 369.482727 18.0 370.573273 20.0 370.612274 18.0 375.905182 18.0 376.100647 19498.412109 376.417267 18.0 376.523254 17.0 377.105164 2954.0 377.722992 22.0 378.106842 750.0 379.115326 129.0 380.097382 43.0 381.247131 20.0 387.819824 18.0 399.755402 17.0 406.867676 22.0 421.50061 26.0 431.503143 18.0 454.754761 21.0 574.279602 18.0 613.481018 18.0 END IONS BEGIN IONS SCANS=376 PEPMASS=636.19875 CHARGE=-1 COLLISION_ENERGY=0.0 61.988647 22.0 71.017731 51.0 72.710533 17.0 84.683388 22.0 88.040482 333.0 88.980362 40.0 94.831001 22.0 114.018372 20.0 115.003014 197.0 115.690178 18.0 117.020325 65.0 119.035362 25.0 121.978096 29.0 130.021393 18.0 130.109726 18.0 130.139069 17.0 131.035492 66.0 132.029617 11581.0 132.192657 22.0 132.304092 20.0 132.62056 23.0 133.013184 2166.547852 133.033325 603.452087 133.684875 17.0 133.99437 37.0 134.01564 105.119003 134.031586 171.880997 134.273056 20.0 134.418442 17.0 134.849915 23.0 135.030487 805.694458 136.038147 22.0 136.587234 18.0 136.925842 18.0 161.047836 72.0 162.049423 18.0 179.05246 17.0 197.644775 18.0 201.510864 18.0 222.070129 28.0 234.525833 22.0 238.798615 18.0 246.395416 18.0 262.01709 18.0 311.843018 18.0 347.341431 17.0 349.344635 30.0 350.635254 40.0 385.359253 17.0 385.787933 35.0 402.524475 18.0 407.1091 19.0 426.129547 19.0 430.014099 18.0 468.64859 19.0 503.167572 18.0 520.280212 22.0 546.115356 17.0 564.766479 19.0 573.276062 18.0 590.135986 19.0 590.980835 18.0 636.19458 163.0 636.277344 21.0 637.190857 114.0 638.203125 18.0 639.208313 110.0 666.06012 18.0 END IONS BEGIN IONS SCANS=377 PEPMASS=669.20908 CHARGE=-1 COLLISION_ENERGY=0.0 51.454441 20.0 51.662468 20.0 53.660648 20.0 55.379005 25.0 66.728386 20.0 73.728531 28.0 75.006439 214.0 76.091537 26.0 76.1996 21.0 77.011566 30.0 80.052391 22.0 81.785103 19.0 81.892021 18.0 84.077316 19.0 87.013824 19.0 89.025322 29.0 96.968552 18.0 116.97805 18.0 120.774521 29.0 121.088211 20.0 123.042114 23.0 129.019836 61.0 145.019119 21.0 146.733719 18.0 147.031403 326.0 147.450211 24.0 161.049057 27.0 162.54007 17.0 162.986267 65.0 163.024734 58.0 163.062012 19.0 164.024353 52.0 164.878677 23.0 164.983902 25.0 165.039764 18356.570312 165.386993 38.0 165.441116 18.0 165.710663 22.0 166.044739 1614.061768 167.018723 22.0 167.045456 271.0 167.147919 20.0 167.644394 18.0 167.820358 19.0 168.04361 24.0 169.598984 18.0 170.249161 18.0 170.302292 18.0 182.372482 18.0 192.856827 17.0 195.048203 20.0 201.455093 22.0 225.388947 27.0 258.683441 22.0 266.96524 21.0 270.061707 18.0 284.421387 18.0 297.072083 32.0 297.16861 48.0 333.676697 26.0 348.809052 30.0 352.703583 18.0 375.191315 21.0 376.091095 19.0 435.126007 18.0 437.028351 96.0 439.035156 42.0 444.155487 46.0 469.098663 28.0 503.04361 41.509708 503.157196 18.0 505.026276 117.0 548.00946 17.0 550.046448 26.0 557.088379 83.0 558.069275 19.0 559.076477 18.0 573.975159 18.0 578.346436 20.0 623.098511 28.0 623.613464 20.0 624.141968 18.0 624.887878 18.0 625.077698 17.0 669.118225 18.0 669.218445 163.0 670.226807 181.0 670.812988 22.0 671.225159 91.0 673.194763 20.0 1012.137634 20.0 END IONS BEGIN IONS SCANS=378 PEPMASS=404.1038 CHARGE=0 COLLISION_ENERGY=0.0 50.12381 18.0 52.687561 17.0 54.089298 49.0 55.877384 30.0 57.492229 27.0 57.712311 20.0 58.154686 27.0 58.624836 18.0 59.260326 26.0 60.694695 18.0 61.367023 30.0 61.987537 642.0 62.008965 20.0 63.034992 17.0 64.707092 18.0 64.739075 31.0 65.173882 19.0 65.628525 18.0 67.01786 24.0 68.036057 18.0 68.5439 22.0 69.032768 20.0 70.336456 26.0 71.201393 24.0 73.891617 20.0 74.411217 39.0 74.70813 17.0 75.46154 46.0 76.814697 20.0 77.367996 22.0 79.80529 18.0 80.95977 18.0 83.148071 18.0 85.870964 19.0 88.197052 19.0 88.456352 18.0 89.617554 38.0 90.678619 34.0 91.563934 34.0 94.422768 23.0 94.85849 18.0 95.331108 49.0 96.540276 20.0 96.692032 18.0 108.841583 23.0 109.752365 26.0 110.803963 18.0 113.770607 18.0 122.177673 18.0 126.081848 29.0 133.871964 55.0 136.410278 18.0 136.688889 21.0 138.496933 44.0 140.28479 19.0 141.013306 22.0 142.226212 42.0 143.482285 18.0 146.636688 20.0 152.513504 38.0 152.581314 24.0 153.017181 26.0 155.583252 19.0 156.47142 22.0 157.563034 20.0 159.017853 17.0 164.833649 18.0 165.657776 26.0 167.158173 21.0 169.10614 22.0 172.870804 19.0 175.933441 22.0 176.113373 18.0 179.417725 24.0 179.832886 18.0 182.110626 18.0 184.858429 21.000002 184.922501 20.0 185.336441 18.0 185.562698 18.0 186.27478 17.0 186.705688 20.0 189.24411 22.0 192.022751 29.0 192.157654 22.0 198.024109 20.0 199.090729 17.0 200.145126 21.0 200.379318 18.0 201.518738 23.0 202.421646 18.0 204.554337 20.0 207.710449 27.0 209.485413 21.0 216.617477 32.0 216.716309 21.0 225.864426 20.0 226.4832 26.0 230.084946 25.0 230.624451 17.0 233.671494 17.0 236.097595 18.0 239.143661 17.0 240.3647 28.0 241.533401 25.0 243.882675 19.0 244.244858 20.0 246.306488 18.0 249.926956 27.0 258.271881 21.0 259.872955 18.0 265.923187 28.0 269.514801 17.0 269.990326 21.0 270.839813 17.0 270.86554 18.0 272.036316 18.0 273.250732 19.0 279.981354 18.0 282.163727 18.0 282.32608 20.0 297.880798 18.0 300.806366 34.0 305.06192 19.0 310.155182 22.0 310.828094 20.0 315.150055 18.0 315.294495 18.0 324.867523 20.0 325.943817 19.0 327.60025 18.0 330.081818 38.0 347.053925 18.0 353.366547 18.0 363.181488 18.0 367.73465 34.0 393.933716 29.000002 395.914124 27.0 402.631592 36.0 402.864258 22.0 404.105957 117.0 405.097809 20.0 430.130157 18.0 436.460052 24.0 441.286621 18.0 453.6875 23.0 456.762817 22.0 461.188049 19.0 470.145844 21.0 472.402039 18.0 484.294891 20.0 549.165833 20.0 555.794556 25.0 566.158813 73.0 649.20105 20.0 671.691589 17.0 672.237549 18.0 847.270447 20.0 884.119568 18.0 1029.306274 17.0 1045.292358 20.0 1061.230591 23.0 1096.103394 19.0 1122.345215 22.0 1181.226807 17.0 END IONS BEGIN IONS SCANS=379 PEPMASS=539.13762 CHARGE=-1 COLLISION_ENERGY=0.0 50.058456 50.0 50.842831 18.0 51.253475 18.0 51.410332 19.0 52.097103 20.0 53.324322 20.0 54.484833 20.0 54.839622 19.0 56.08017 22.0 57.727989 18.0 59.011486 21.0 59.74181 17.0 60.388504 23.0 61.830864 20.0 62.862038 22.0 64.251602 19.0 64.357018 22.0 64.741089 18.0 67.349251 28.0 67.479439 20.0 67.973053 23.0 70.017448 20.0 71.012978 18.0 71.588371 19.0 72.388 18.0 73.028 18.0 77.294456 18.0 77.85672 20.0 79.091324 27.0 79.368904 24.0 79.409996 20.0 80.310112 18.0 81.034531 19.0 83.011658 17.0 83.126404 18.0 83.576927 49.0 83.599251 19.0 84.560127 18.0 84.837227 34.0 86.912895 18.0 87.004379 19.0 87.100121 26.0 88.535873 18.0 88.625282 18.0 89.024582 66.0 90.025658 20.0 90.552109 18.0 90.820976 18.0 90.917221 20.0 96.981339 17.0 97.031303 98.0 97.263245 18.0 97.338409 24.0 98.950211 27.0 99.008606 18.0 100.015701 24.0 100.284027 20.0 101.024529 378.0 103.830711 17.0 104.080864 20.0 108.468735 27.0 109.638878 27.0 111.202316 20.0 111.251785 18.0 111.725906 20.0 112.186966 31.0 112.985054 40.0 113.023224 148.0 113.35408 18.0 114.424507 22.0 115.041534 36.0 115.269028 21.0 117.300369 23.0 117.44812 19.0 118.147202 21.0 118.773521 24.0 119.032417 243.0 119.196907 18.0 119.332489 42.0 123.527245 25.0 125.027748 131.719391 129.244232 20.0 130.87056 23.0 131.037766 18.0 131.286926 18.0 131.393158 20.0 133.542053 17.0 139.283691 24.0 139.653763 20.0 140.161728 20.0 141.016464 18.0 142.7724 17.0 143.03624 221.0 143.226196 25.0 144.037079 22.0 147.028458 20.0 148.196854 20.0 148.391968 19.0 149.042465 61.0 149.291733 18.0 151.425781 19.0 154.701691 17.0 155.302078 19.0 158.091492 20.0 158.527954 51.0 159.902512 22.0 161.006409 18.0 161.044662 938.0 162.052536 51.0 166.733734 42.0 168.152145 19.0 168.269348 22.0 169.257355 22.0 171.324875 18.0 172.353104 23.0 172.795929 34.0 173.374832 24.0 174.157364 21.0 177.577637 43.0 178.66713 19.0 178.81665 28.999998 179.055588 1841.917725 180.058868 85.0 180.564087 18.0 180.967789 20.0 181.915741 18.0 185.044296 40.0 185.844772 20.0 186.505615 23.0 187.058792 17.0 187.868073 22.0 189.144852 25.0 192.331192 18.0 193.03418 31.0 196.666962 20.0 199.674942 18.0 201.724365 18.0 203.589279 32.0 207.165619 20.0 208.847855 23.0 211.904831 18.0 215.381149 24.0 221.066086 280.0 224.099701 19.0 225.342728 20.0 229.077377 19.0 231.984375 23.0 243.032669 20.0 244.706772 20.0 248.674515 22.0 251.080521 180.0 253.08313 19.0 257.341827 22.0 261.894196 24.0 263.070343 38.0 264.395477 23.0 265.151489 25.0 268.64978 24.0 270.098694 39.0 270.397156 18.0 274.765472 23.0 275.613373 18.0 281.085663 255.0 284.622803 20.0 293.080261 18.0 295.087585 18.0 295.477875 25.0 295.732849 22.0 303.403412 26.0 306.580017 34.0 308.376923 19.0 311.096466 18.0 311.539032 17.0 321.087158 24.0 323.102264 111.0 323.934052 18.0 331.836639 23.0 332.125275 17.0 341.108765 652.0 342.111145 111.0 345.280243 18.0 351.738647 18.0 355.779327 18.0 374.050262 22.0 383.120178 1234.0 384.123169 176.0 385.121582 42.0 391.219177 27.0 402.968475 18.0 403.029053 33.0 405.593445 24.0 413.257446 20.0 417.752258 22.0 425.119751 78.0 425.93399 20.0 426.131866 29.0 426.880249 18.0 427.049957 24.0 427.13031 32.0 429.043854 20.0 430.680481 19.0 431.127594 17.0 436.043457 22.0 448.118683 19.0 448.685486 23.0 454.60376 20.0 503.158386 261.0 504.170013 43.0 505.17157 20.0 512.386414 40.0 532.096497 17.0 539.138062 1482.779053 540.140015 165.0 541.06842 18.0 541.132751 525.0 542.141357 68.0 543.141968 36.0 556.098267 62.0 557.074768 22.0 566.143494 98.0 567.146362 21.0 592.161682 19.0 634.040649 49.0 639.193481 25.0 665.202087 20.0 670.237122 42.0 708.299316 21.0 713.117554 20.0 716.598511 19.0 729.288208 18.0 748.183533 18.0 814.099243 21.0 816.103577 18.0 826.496338 22.0 830.191956 18.0 850.541382 20.0 893.605347 23.0 907.971924 18.0 938.998657 28.999998 942.077393 19.0 953.216919 17.0 958.620483 20.0 964.563477 21.0 1000.99054 24.0 1007.405151 18.0 1021.108582 18.0 1045.286987 18.0 1051.304077 18.0 1055.612549 18.0 1061.245605 45.0 1068.187378 18.0 1091.117432 31.0 1091.329712 17.0 1102.574341 20.0 1116.261475 18.0 1120.145508 24.0 1121.177612 18.0 1121.460205 18.0 1127.2948 26.0 1140.402222 18.0 1163.011841 20.0 1171.767456 20.0 1172.787842 20.0 1194.246948 20.0 END IONS BEGIN IONS SCANS=380 PEPMASS=341.10772 CHARGE=0 COLLISION_ENERGY=0.0 52.027794 21.0 58.432442 18.0 58.692623 49.0 59.013828 38.0 64.627342 26.0 65.034073 18.0 66.429756 18.0 66.69545 41.0 70.943436 18.0 71.014328 40.0 73.028313 46.0 82.637329 21.0 85.032265 54.0 87.010895 44.0 89.025467 152.0 98.579544 25.0 101.022064 18.0 101.031181 22.151453 102.02755 17.0 108.671211 19.0 110.633224 20.0 111.006378 18.0 112.816238 18.0 113.026817 50.0 119.03331 27.0 120.039558 20.0 130.18515 20.0 146.601608 23.0 151.689148 22.0 154.59227 34.0 156.736343 24.0 157.697235 36.0 158.987885 29.0 161.04567 55.0 163.514053 22.0 168.786606 20.0 172.59938 18.0 179.049927 19.308397 179.064682 31.691605 194.901825 23.0 195.722946 20.0 208.85144 18.0 209.291412 18.0 213.356323 38.0 221.071609 98.0 222.079086 32.0 225.913208 21.0 248.031296 18.0 250.834045 36.0 260.258087 18.0 285.639862 22.0 289.761292 22.0 297.248474 17.0 323.021545 50.000004 324.979645 23.0 340.199646 65.0 341.107361 24.0 343.079529 22.0 373.585449 32.0 434.977051 21.0 462.734161 18.0 580.427979 17.0 585.587524 30.0 739.056152 20.0 END IONS BEGIN IONS SCANS=381 PEPMASS=1007.33047 CHARGE=-1 COLLISION_ENERGY=0.0 62.417725 20.0 71.012527 25.0 75.085587 19.0 83.013641 18.0 89.021629 60.0 97.028061 20.0 98.031349 25.0 99.04232 21.0 101.024048 398.857117 107.03212 18.0 113.024315 116.0 119.034454 80.0 125.02343 18.0 131.031097 18.0 143.035934 121.0 149.043549 21.0 161.04512 1395.0 162.04744 83.0 163.04982 18.0 169.792328 19.0 173.623322 18.0 179.055252 1879.0 180.057495 135.0 184.344955 18.0 186.042252 18.0 188.008774 17.0 201.68631 20.0 209.150192 28.0 220.434082 18.0 221.06514 254.181961 222.066772 38.0 222.887268 18.0 229.464401 18.0 230.645081 18.0 234.906174 41.0 239.171356 24.0 239.623856 26.0 251.074249 218.0 252.07753 23.0 253.587418 17.0 269.0914 18.0 271.74527 17.0 280.335175 20.0 281.084869 479.544342 281.470306 24.0 282.084686 52.0 284.082886 18.0 293.085693 18.0 294.169891 18.0 295.339508 24.0 297.874542 23.0 302.040741 20.0 305.088135 18.0 311.094055 39.0 316.482849 18.0 323.097443 184.0 324.09903 35.0 333.714508 18.0 341.107727 2600.0 342.11618 269.708862 343.113647 63.0 344.10495 18.0 345.209534 20.0 358.35257 22.0 366.555481 17.0 383.116577 348.0 384.128632 45.0 386.127258 17.0 425.130951 355.0 426.124878 52.0 427.13916 20.0 443.138916 21.0 450.034576 22.0 460.622314 21.0 495.751709 17.0 503.160431 2406.994873 504.164124 605.0 504.260956 17.0 505.169098 55.0 530.1651 18.0 533.161804 37.0 539.11731 18.0 602.127747 17.0 628.1922 18.0 643.215271 19.0 647.192322 18.0 665.210205 38.0 681.974487 20.0 755.149902 17.0 756.248413 22.0 776.884888 23.0 844.708862 21.0 845.269348 121.999992 924.94928 18.0 930.311646 18.0 947.307434 36.0 948.311829 21.0 1007.148193 18.0 1007.33667 276.0 1008.337646 159.0 1009.323853 66.0 1070.354004 20.0 END IONS BEGIN IONS SCANS=382 PEPMASS=503.16112 CHARGE=-1 COLLISION_ENERGY=0.0 50.269211 20.0 51.120167 22.0 51.941944 19.0 52.208145 17.0 52.931957 18.0 56.188519 22.0 56.294106 21.0 58.108006 18.0 58.261646 22.0 58.312744 18.0 59.012642 293.0 59.681 18.0 59.876987 20.0 60.251408 18.0 62.537411 18.0 67.127289 32.0 67.568642 18.0 68.18644 18.0 69.792419 28.0 70.282089 25.0 70.839043 22.0 71.012711 496.0 71.157898 17.0 73.029633 526.0 73.087761 20.0 73.144981 22.0 75.030899 26.0 75.52417 25.0 75.852974 21.0 76.341988 17.0 77.596146 33.0 78.027718 26.0 79.024483 70.0 79.119621 20.0 79.742378 22.0 81.033356 42.0 82.032303 20.0 83.015266 252.0 83.513756 25.0 83.586533 47.0 83.922523 28.0 84.019012 22.0 85.4095 19.0 85.772209 18.0 86.560631 18.0 87.008904 91.0 87.044937 25.0 87.501923 20.0 88.506355 18.0 88.895958 19.0 89.024284 1224.0 90.028412 53.534042 92.042114 20.0 96.834877 22.0 97.02874 326.0 98.031471 22.0 99.036171 20.0 99.045845 18.0 99.868225 18.0 100.04422 18.0 101.024307 2229.0 101.362885 18.0 102.024368 26.0 102.099701 18.0 107.686852 24.0 108.194183 18.0 113.023308 505.0 113.412453 21.0 114.033417 31.0 115.002266 20.0 115.038849 118.0 115.788818 18.0 116.039841 18.0 116.982079 21.0 119.034584 932.249207 120.039551 18.0 122.035744 19.0 122.717796 18.0 122.767975 19.0 122.782013 18.0 123.712349 18.0 125.024124 225.0 126.027924 41.0 127.832932 18.0 127.847389 27.0 128.598312 19.0 130.287674 46.0 131.034439 231.0 134.644547 25.0 135.879684 17.0 141.727371 42.0 143.035522 462.0 143.470718 18.0 144.040375 41.0 147.338806 21.0 147.748352 20.0 149.045151 119.0 150.50235 29.0 151.048782 20.0 154.903229 21.0 158.702621 25.0 158.914459 20.0 161.045776 2547.0 162.048309 156.0 162.225311 18.0 162.511826 20.0 163.700699 22.0 165.075699 23.0 167.040024 27.0 168.812515 23.0 169.365784 17.0 170.19664 19.0 170.925873 18.0 174.139465 18.0 174.347794 22.0 174.389435 18.0 175.258728 18.0 175.32515 18.0 176.310852 18.0 176.998978 46.0 177.975876 17.0 178.98201 17.0 179.055389 3647.36499 179.104874 21.0 179.138748 18.0 179.401413 19.0 180.059586 345.0 181.058701 23.0 182.049835 20.0 183.57988 17.0 185.046005 18.0 186.876358 23.0 186.944534 19.0 192.450623 28.0 193.601913 19.0 198.823227 17.0 208.097977 23.0 209.261047 18.0 213.473099 18.0 215.85524 26.0 216.66124 18.0 220.247116 20.0 221.066513 1627.0 222.06749 132.684311 223.067856 38.0 224.575577 19.0 244.113403 17.0 251.080582 70.0 263.075714 22.0 263.486938 17.0 263.702545 18.0 264.140717 30.0 265.123932 17.0 270.666901 17.0 273.057159 18.0 273.786011 32.0 275.185974 20.0 279.556793 18.0 280.832733 21.0 281.088196 426.740051 282.088257 18.0 290.182251 18.0 292.011139 18.0 297.056793 22.0 304.629303 18.0 305.904114 41.0 307.625458 35.0 310.202484 28.0 311.106262 101.0 313.137268 22.0 323.094147 99.0 324.093353 18.0 325.109558 20.0 325.749939 20.0 328.237061 17.0 331.92157 25.0 339.422302 46.0 341.108246 457.0 342.108612 57.0 342.690338 22.0 342.838226 41.0 343.112854 18.0 344.641602 31.0 356.810852 20.0 358.125458 18.0 362.903015 18.0 363.842957 52.0 377.086609 20.0 377.579193 20.0 383.11676 383.0 384.125549 63.0 385.510956 25.0 391.835754 49.0 395.736084 22.0 396.023834 18.0 407.159424 17.0 418.78476 27.0 424.536926 25.0 425.128571 18.0 437.033264 27.0 464.495636 30.0 503.161194 657.0 504.161072 186.0 528.145081 18.0 539.136902 24.0 561.4552 24.0 566.156799 40.0 567.15448 38.0 577.2005 17.0 588.999573 21.0 594.175781 20.0 627.307556 17.0 646.601624 24.0 647.313354 18.0 650.222595 20.0 678.497803 18.0 825.344849 21.0 867.243835 29.0 867.290588 22.0 880.114929 17.0 985.72937 18.0 987.800659 19.0 1007.320068 101.0 1008.318604 41.0 1030.325684 19.0 1071.723267 27.0 1077.721436 18.0 1083.222046 18.0 1091.331421 27.0 1121.331421 17.0 1122.174194 26.0 1136.74353 19.0 1164.502197 18.0 1193.331909 20.0 END IONS BEGIN IONS SCANS=383 PEPMASS=566.15681 CHARGE=-1 COLLISION_ENERGY=0.0 52.400467 18.0 52.455273 26.0 52.794506 26.0 53.009296 18.0 53.205399 19.0 53.279999 19.0 54.234573 17.0 57.479691 18.0 57.523552 17.0 58.451992 18.0 59.014786 47.0 60.209408 20.0 61.586464 22.0 61.987698 8350.234375 62.02076 18.0 62.199135 19.0 62.468525 18.0 62.710106 18.0 62.731453 158.0 62.784588 27.0 62.936089 20.0 62.98291 55.0 63.990227 39.0 65.184853 38.0 66.015266 19.0 69.089554 20.0 70.343544 63.0 70.546417 20.0 71.010254 21.0 73.278946 23.0 75.86795 22.0 76.753723 20.0 78.806175 21.0 79.067772 23.0 82.992844 26.0 83.754486 17.0 87.115837 17.0 87.406181 18.0 89.02243 39.0 89.641678 19.0 89.779343 18.0 91.850769 17.0 95.875298 29.0 96.465965 37.0 96.966515 28.0 99.099693 20.0 99.602768 24.0 101.022697 72.0 102.329788 24.0 102.668335 25.0 102.722008 20.0 108.463844 18.0 113.022552 44.0 115.268608 22.0 116.610336 22.0 117.773796 18.0 119.033058 39.0 120.049225 21.0 120.955429 20.0 121.035118 22.0 124.645554 20.0 126.281364 18.0 126.294281 18.0 129.022888 18.0 130.219055 21.0 130.674728 18.0 130.69751 20.0 131.02565 20.0 133.867996 21.0 135.134018 17.0 135.832352 18.0 137.144623 22.0 141.515198 21.0 143.547379 19.0 145.89447 19.0 145.915787 25.0 146.086685 18.0 146.722519 18.0 148.151306 18.0 149.044952 40.0 150.381744 18.0 152.005997 18.0 154.588028 23.0 154.635864 30.0 159.394043 18.0 161.046387 62.0 163.089111 19.0 163.647705 18.0 166.758148 33.0 168.375122 20.0 169.666748 22.0 170.287994 51.0 171.406967 22.0 172.200806 21.0 174.954102 19.0 177.038315 111.0 177.89769 33.0 179.054169 253.0 180.056168 20.0 183.756546 17.0 190.401566 19.0 193.155731 17.0 198.134064 20.0 202.572693 18.0 204.424591 22.0 204.680893 20.0 205.197723 17.0 206.667999 21.0 221.070938 67.0 225.371155 18.0 225.392731 23.0 226.087662 27.0 226.726227 22.0 228.501572 19.0 238.310364 22.0 246.398376 18.0 251.07637 17.0 254.70575 20.0 256.268921 27.0 257.11441 17.0 281.092651 60.0 282.081604 18.0 284.113647 24.0 285.637695 17.0 286.821533 18.0 294.762878 26.0 308.014648 20.0 311.110321 43.0 320.017487 20.0 323.097443 19.0 328.45401 17.0 334.624878 21.0 339.283295 22.0 340.23999 29.0 341.077026 19.0 341.1073 186.0 342.1138 74.0 377.343842 17.0 377.397278 23.0 383.113098 92.0 383.168732 20.0 384.123688 21.0 385.1185 20.0 387.48645 23.0 388.899475 17.0 418.830048 37.0 425.128021 54.0 433.97168 18.0 460.136383 18.0 465.120636 18.0 478.098083 28.0 479.251038 26.0 501.140686 18.0 503.151642 39.0 522.200989 18.0 526.037354 18.0 539.142883 20.0 541.13031 18.0 549.122559 24.0 549.160583 20.0 557.887756 19.0 559.771484 18.0 560.70459 18.0 562.252197 27.0 566.155884 7326.0 566.236877 24.0 567.157532 1815.0 567.271729 18.0 568.162231 317.0 569.166138 89.0 573.801025 20.0 578.089111 18.0 582.624756 19.0 584.599731 22.0 623.349121 18.0 632.210144 33.0 633.134766 18.0 634.188599 18.0 799.226501 22.0 844.542847 18.0 1011.352051 23.0 1031.327393 26.0 1061.244141 17.0 1115.233643 20.0 1130.230347 22.0 1151.542358 20.0 1170.295166 17.0 1175.105713 18.0 END IONS BEGIN IONS SCANS=384 PEPMASS=549.16668 CHARGE=-1 COLLISION_ENERGY=0.0 51.456772 20.0 51.806782 35.0 53.042362 27.0 55.016438 18.0 55.22031 18.0 57.31036 19.0 58.069916 19.0 58.984089 20.0 59.012653 593.0 59.077446 21.0 59.094372 18.0 60.239628 25.0 61.028725 18.0 61.088608 17.0 61.312275 18.0 61.756924 18.0 63.219887 21.0 66.194626 20.0 66.413452 19.0 67.801331 18.0 68.071068 17.0 69.029396 19.0 70.792938 24.0 71.013504 947.487 72.017281 41.0 73.011078 22.0 73.029091 662.0 73.122589 22.0 73.859375 22.0 74.034424 22.0 74.983902 18.0 75.553871 28.0 76.825432 20.0 77.776085 22.0 81.033737 81.0 81.125595 18.0 82.330124 35.0 83.011818 141.0 83.34285 23.0 83.706322 17.0 84.388939 18.0 85.028145 77.0 87.009827 211.0 87.04361 17.0 87.158737 27.0 87.904533 20.0 89.024139 2416.0 89.259071 18.0 89.456184 20.0 90.024765 19.0 91.0271 58.0 91.070137 17.0 91.963646 23.0 92.790672 23.0 95.015404 19.0 95.389275 19.0 97.02858 1017.0 97.554543 18.0 98.031876 71.0 99.005852 37.0 99.045731 38.0 100.433548 18.0 101.02446 4768.569824 101.718407 23.0 102.029434 327.0 102.185905 20.0 102.232208 18.0 102.310036 20.0 103.03112 20.0 103.372429 25.0 104.603737 20.0 104.77581 18.0 105.439255 18.0 107.032127 36.0 108.277313 20.0 108.341682 19.0 108.982452 26.0 109.775925 18.0 109.844925 19.0 111.32547 18.0 113.024422 951.0 114.02829 68.0 115.038757 281.0 117.30143 18.0 118.007805 18.0 118.915916 20.0 119.03447 1824.0 119.255394 24.0 120.039017 191.757187 121.03569 39.0 122.185204 21.0 125.024628 221.0 125.057938 18.0 125.350517 20.0 126.472382 18.0 128.635696 23.0 129.080978 23.0 129.974258 27.0 131.034363 474.0 132.035416 18.0 133.041214 59.0 133.38855 19.0 135.692978 20.0 137.026184 51.0 139.036194 21.0 140.009918 24.0 140.204666 18.0 140.593979 17.0 141.434341 22.0 142.594193 24.0 143.033951 1291.0 143.570511 18.0 143.708328 22.0 144.039963 65.0 144.120026 22.0 145.78389 17.0 146.085098 26.0 147.867661 20.0 149.045731 282.071716 149.157852 18.0 149.333359 19.0 150.825485 24.0 152.77092 68.0 154.167557 19.0 155.029999 58.0 155.71315 18.0 159.765366 30.0 159.890121 17.0 160.980972 22.0 161.044891 6194.0 161.263824 17.0 162.048996 493.0 162.626968 18.0 162.944321 20.0 163.050507 149.0 163.727448 17.0 163.835068 43.0 166.525955 24.0 166.786835 17.0 168.039536 21.0 168.164017 18.0 168.21994 18.0 171.118011 18.0 173.084793 18.0 175.360077 20.0 175.948196 19.0 177.553146 36.0 178.757431 18.0 178.989182 18.0 179.055466 10895.5 179.139969 20.0 179.168594 22.0 180.059357 1190.0 180.160156 20.0 180.333099 18.0 180.503143 27.0 180.67337 18.0 181.062546 37.0 183.089127 17.0 183.611115 20.0 184.817398 27.0 185.047134 82.0 185.963181 25.0 189.996658 18.0 193.493256 40.0 193.671951 18.0 194.803238 24.0 196.773453 17.0 197.505814 23.0 199.001862 19.0 201.317719 25.0 202.646011 20.0 204.067184 24.0 204.185013 21.0 205.114227 25.0 206.400055 26.0 209.068649 17.0 211.536758 18.0 219.969711 18.0 221.065659 3730.220459 221.694626 21.0 222.070724 334.0 222.302307 29.0 223.076569 46.0 224.067688 20.0 225.901367 19.0 230.785553 40.0 233.066971 18.0 234.467606 18.0 235.359665 21.0 235.645996 17.0 239.871796 18.0 241.353226 18.0 244.388611 23.0 245.067413 79.0 250.4841 18.0 250.860947 20.0 251.076843 521.0 251.355225 17.0 251.793732 18.0 253.088364 17.0 253.174942 25.0 253.470459 49.0 258.564545 18.0 263.033386 24.0 263.058594 69.645439 263.074646 179.710876 268.434753 18.0 269.089783 38.0 269.319214 17.0 270.226532 21.0 277.469543 21.0 280.097595 18.0 280.973511 54.0 281.0896 1288.0 282.090668 115.0 283.097168 38.0 290.187805 18.0 293.392395 29.0 296.310638 20.0 296.613251 18.0 300.20871 20.0 300.983551 18.0 306.088684 18.0 308.113403 17.0 310.499512 25.0 311.098938 138.0 312.099823 86.0 316.994781 17.0 320.539703 20.0 321.853912 18.0 323.099579 1295.104004 324.107666 248.0 324.614044 20.0 325.098999 55.0 335.062073 18.0 336.058075 17.0 336.155762 19.0 340.084259 23.0 341.108551 4380.0 342.111969 693.0 343.110443 137.0 344.11676 18.0 345.457825 20.0 347.214844 36.0 361.532379 33.0 364.504028 19.0 372.374939 22.0 383.118896 3217.757812 384.124969 479.0 385.119141 76.0 385.659576 23.0 387.318115 17.0 389.140472 25.0 391.546936 18.0 391.801849 21.0 394.051849 18.0 403.302155 18.0 406.786865 18.0 409.687042 18.0 419.516388 18.0 420.471924 41.0 425.131836 506.666504 426.134155 112.0 429.892151 23.0 432.855682 42.0 441.373657 18.0 443.133789 70.0 471.10614 19.0 481.167023 18.0 502.657654 17.0 503.091827 20.0 503.161072 7891.991211 503.98761 25.0 504.167572 1402.0 504.256958 18.0 504.365936 18.0 505.164551 264.0 506.164062 18.0 506.591797 18.0 507.059296 20.0 524.831116 19.0 549.163147 224.0 550.182129 117.0 552.076782 20.0 553.011902 20.0 607.801941 18.0 638.956055 20.0 658.221252 19.0 664.488525 31.000002 719.38324 21.0 845.274719 18.0 850.191833 17.0 910.196228 23.0 1007.309143 39.0 1065.272949 18.0 1072.49939 18.0 1075.300293 18.0 1152.224121 18.0 1169.740112 23.0 1170.324585 33.0 1172.166016 20.0 1195.833008 23.0 1199.408569 18.0 END IONS BEGIN IONS SCANS=385 PEPMASS=243.01748 CHARGE=0 COLLISION_ENERGY=0.0 52.526707 22.0 53.745548 21.0 54.064751 20.0 56.312218 19.0 57.414574 25.0 57.653915 24.0 59.013794 18.0 60.691509 18.0 60.80545 17.0 62.561539 23.0 63.202396 18.0 63.640045 19.0 65.394417 18.0 65.906326 18.0 66.462601 27.0 67.019188 20.0 68.323631 21.0 68.602097 18.0 70.320038 37.0 70.798157 18.0 71.012497 70.0 71.249992 17.0 71.770119 30.0 72.181183 23.0 73.026062 40.0 73.580368 24.0 76.312759 18.0 78.311066 34.0 79.743355 30.0 79.957764 671.0 80.4627 27.0 80.889809 33.0 80.965118 333.0 81.397545 22.0 81.472961 19.0 81.668236 20.0 81.741882 18.0 81.954124 41.0 81.969604 43.0 82.95752 17.0 83.012817 18.0 83.684517 18.0 84.205055 29.0 84.539215 17.0 85.030609 26.0 89.023254 203.0 89.730415 23.0 95.015472 24.0 100.017761 38.0 101.022888 117.0 101.619858 25.0 104.764206 42.0 110.02285 24.0 113.024864 100.0 115.342232 18.0 116.403236 20.0 124.164909 19.0 125.001656 40.0 129.02803 32.0 131.889603 18.0 140.646545 20.0 141.375839 17.0 144.249985 18.0 146.962357 18.0 148.675827 22.0 150.436371 21.0 150.911057 23.0 154.623383 17.0 160.72551 80.0 161.042679 18.0 164.895813 39.0 166.864136 21.0 175.866165 39.0 175.959351 18.0 178.29068 22.0 179.050369 18.0 179.807755 35.0 181.15062 17.0 181.253143 20.0 181.968338 20.0 182.995804 18.0 184.592255 23.0 184.875809 18.0 185.028061 17.0 189.894058 22.0 190.687668 21.0 191.990112 18.0 196.972748 22.0 201.06221 18.0 202.062943 17.0 202.718552 24.0 203.470078 18.0 203.937592 22.0 204.706833 20.0 207.923111 18.0 213.001205 17.0 213.298813 23.0 216.009689 18.0 218.477051 23.0 224.8564 86.0 227.054901 20.0 231.600906 38.0 236.412338 21.0 241.878189 18.0 242.056 18.0 242.176529 21.0 243.017319 5459.0 243.072784 26.0 243.195343 44.0 243.251511 18.0 244.021652 530.0 244.87851 19.0 245.011047 322.0 246.028671 20.0 246.111313 18.0 246.58371 23.0 247.701645 17.0 247.889984 17.0 259.684814 21.0 259.873566 18.0 263.473663 18.0 264.253448 17.0 270.924744 20.0 271.92691 21.0 276.116882 33.0 277.712799 24.0 293.638428 38.0 295.560486 18.0 313.793457 19.0 324.120331 18.0 325.465027 20.0 327.699982 29.0 337.446899 17.0 339.182007 21.0 346.059296 28.0 419.490509 30.0 420.605713 18.0 437.375214 18.0 492.547516 53.0 506.256989 18.0 506.656677 25.0 510.930786 22.0 540.141174 18.0 543.833557 18.0 548.859131 23.0 589.980713 19.0 855.620239 19.0 962.92749 19.0 975.372498 18.0 1018.090393 23.0 1032.765259 20.0 1069.021362 19.0 1097.765747 20.0 1104.716064 18.0 1146.229614 18.0 1177.047729 20.0 1179.687378 18.0 1180.488403 18.0 END IONS BEGIN IONS SCANS=386 PEPMASS=353.07197 CHARGE=0 COLLISION_ENERGY=0.0 50.413704 22.0 50.421539 35.0 51.416847 19.0 52.707893 20.0 53.307343 17.0 55.153202 21.0 55.447762 18.0 55.948143 19.0 57.032677 39.0 58.994392 18.0 59.013931 586.890198 59.176376 18.0 60.014305 27.0 62.511837 18.0 63.451946 17.0 63.977463 21.0 65.858566 19.0 67.495857 18.0 68.603851 21.0 69.8582 22.0 70.702263 18.0 71.011909 354.0 72.196831 18.0 72.933807 20.0 72.991547 699.0 73.027397 43.0 73.429794 19.0 73.993599 18.0 75.010284 39.0 75.516258 22.0 76.015823 22.0 76.510918 28.0 77.647346 18.0 79.195068 19.0 80.181419 22.0 80.451088 20.0 83.009842 18.0 85.028671 697.0 86.734497 17.0 86.971634 21.0 87.009361 90.0 89.02417 499.0 90.025368 44.0 95.019165 21.0 96.959755 35.0 97.032043 31.0 97.320145 21.0 99.007317 55.0 100.009201 21.0 100.614975 24.0 101.023857 265.0 101.731941 17.0 102.026421 21.0 102.115944 17.0 102.287582 18.0 102.871307 20.0 102.923203 18.0 103.0028 573.0 103.041519 23.0 104.009102 18.0 104.050743 20.0 104.53109 17.0 105.0047 20.0 107.049561 20.0 108.063263 29.0 111.013092 18.0 111.082565 18.0 111.441551 19.0 111.852859 43.0 113.02356 899.0 113.253723 19.0 114.025642 20.0 114.067017 18.0 115.574028 34.0 116.005814 28.0 119.032089 38.0 119.803513 18.0 124.240608 30.0 127.601662 20.0 129.014343 60.0 129.821198 17.0 130.016632 21.0 131.033051 387.0 131.797318 19.0 132.036667 21.0 133.016144 300.0 133.040482 18.0 137.03624 20.0 139.081726 30.0 140.960419 23.0 141.288803 18.0 142.888016 20.0 143.348724 37.0 145.544098 22.0 146.890472 22.0 147.025513 18.0 152.488037 18.0 152.517685 22.0 153.564636 17.0 153.869598 29.0 154.985703 17.0 157.014526 105.0 158.321121 23.0 159.026459 18.0 159.888351 22.0 161.009644 21.0 161.41243 18.0 163.017731 36.0 164.032776 17.0 164.084839 24.0 165.044403 23.0 167.005936 23.0 167.027771 19.0 169.197159 20.0 169.223038 20.0 169.653091 26.0 175.024048 202.315063 175.191452 19.0 175.631592 20.0 176.027725 23.0 176.855835 20.0 187.827682 21.0 189.463501 17.0 191.037796 26.0 192.059937 57.0 192.186234 25.0 193.035431 2317.005371 194.037598 229.0 194.14624 18.0 194.36734 20.0 194.963333 22.0 195.040573 109.0 204.107285 18.0 205.05011 17.0 209.698914 28.0 209.915558 18.0 211.801132 25.0 212.163437 22.0 213.749741 19.0 216.731812 21.000002 216.860474 17.0 235.044693 17.0 235.500702 18.0 236.407288 20.0 237.86586 19.0 238.864166 19.0 239.515762 18.0 242.165192 20.0 245.438843 22.0 250.013504 20.0 253.521896 22.0 253.695053 18.0 254.066269 24.0 263.588165 25.0 264.068787 33.0 264.98465 36.0 266.156097 23.0 269.536987 17.0 270.168518 26.0 270.226196 26.0 271.66095 18.0 273.498169 25.0 274.658691 23.0 274.894653 22.0 277.039459 43.0 278.585266 22.0 280.318054 22.0 280.489777 19.0 282.53833 17.0 284.581726 30.0 288.726227 39.0 291.136841 21.0 295.360107 18.0 299.272827 20.0 309.074158 18.0 311.388702 17.0 312.127686 19.0 316.18924 22.0 319.872711 18.0 320.749573 24.0 327.286407 24.0 332.705048 22.0 334.949188 22.0 352.019897 27.0 352.102783 18.0 353.072937 1587.625244 354.035919 18.0 354.075531 73.0 354.219025 39.0 355.092834 35.0 370.266083 18.0 402.224609 20.0 412.091522 30.0 436.500671 23.0 468.92511 18.0 474.93866 22.0 504.620544 17.0 530.964661 23.0 547.247498 25.0 548.286743 35.0 571.122925 27.0 594.441833 19.0 597.732727 22.0 777.12323 20.0 898.871704 48.0 905.116394 18.0 972.362671 21.0 1090.809448 22.0 1107.95813 19.0 1124.097534 19.0 1145.083374 27.0 END IONS BEGIN IONS SCANS=387 PEPMASS=728.2102 CHARGE=-1 COLLISION_ENERGY=0.0 50.058674 20.0 50.625858 19.0 51.354668 57.0 52.162586 21.0 52.686268 18.0 53.385372 19.0 54.56255 20.0 56.647606 20.0 57.368912 17.0 57.973148 17.0 58.962357 20.0 59.721786 18.0 61.752937 30.0 61.987804 1214.0 62.250298 18.0 62.706036 22.0 63.560844 20.0 63.990623 18.0 64.532051 20.0 65.727921 18.0 67.667664 17.0 70.175018 28.0 70.674889 21.0 71.015663 28.0 82.520309 18.0 82.529953 18.0 82.680687 27.0 82.898903 21.0 92.709793 17.0 92.87281 21.0 93.426491 17.0 95.869278 18.0 96.543121 20.0 98.535721 20.0 98.830055 26.0 99.732841 32.0 101.025032 80.0 101.233803 20.0 102.841026 18.0 103.377907 18.0 104.477203 19.0 105.936569 21.0 106.332359 21.0 106.855675 17.0 113.997223 18.0 120.110672 17.0 120.212715 23.0 121.026726 22.0 122.047768 20.0 125.613884 21.0 125.779663 18.0 127.549248 20.0 130.672195 23.0 132.187042 17.0 133.314346 20.0 133.913574 19.0 134.95282 21.0 136.24382 18.0 137.009537 18.0 137.350494 18.0 138.943558 31.0 139.155075 27.0 139.700073 18.0 143.033783 77.0 154.068069 19.0 154.850922 22.0 156.698593 18.0 157.152924 20.0 158.450745 20.0 161.046387 451.0 162.048645 18.0 163.506973 18.0 165.525421 18.0 166.414444 24.0 171.696457 24.0 173.80928 18.0 176.939362 17.0 179.056534 158.0 185.468033 19.0 190.45343 23.0 193.041077 46.0 195.26767 18.0 202.133499 36.0 205.977478 22.0 207.97438 29.0 209.504272 20.0 215.311295 43.0 215.534393 20.0 217.833618 21.0 218.835068 18.0 221.071838 50.0 222.047607 29.0 225.215012 22.0 230.289154 29.0 231.29306 49.0 233.486191 18.0 235.829453 23.0 237.007233 18.0 238.390121 20.0 244.801514 28.0 259.461761 23.0 261.482452 18.0 263.078583 48.999996 267.06192 22.0 275.95929 18.0 279.907715 19.0 281.08963 60.0 282.557526 29.0 288.164673 23.0 289.398163 17.0 289.704285 22.0 302.776031 18.0 302.996246 20.0 303.891754 24.0 306.934021 18.0 310.385223 18.0 312.131287 20.0 315.266907 26.0 331.104919 18.0 334.474945 18.0 341.109528 318.943634 342.102631 52.0 353.0737 51.0 354.179901 19.0 356.82547 27.0 364.080536 18.0 365.117676 18.0 369.739716 18.0 383.122131 148.0 384.130341 20.0 385.117767 17.0 421.918945 35.0 424.872314 17.0 425.131256 69.0 426.14679 18.0 440.994232 17.0 443.137115 81.0 445.151001 28.0 445.513062 18.0 455.152405 17.0 503.172699 23.0 504.169342 18.0 530.134644 17.0 545.176758 319.145721 546.182312 59.000004 547.174744 42.0 554.96106 18.0 555.159485 18.0 560.307861 20.0 571.0979 22.0 582.336731 28.0 587.181519 170.0 588.19165 35.0 592.837402 20.0 594.115479 20.0 605.186951 39.0 611.090759 41.0 631.082275 18.0 658.058228 19.0 665.215332 95.0 665.57196 20.0 701.175659 18.0 701.793396 18.0 704.19873 24.0 722.99469 21.0 728.209106 3742.236328 728.312805 30.000002 729.212402 1047.0 730.120972 17.0 730.222229 322.0 730.400818 18.0 731.233704 17.0 731.378052 19.0 737.233337 28.0 785.956604 23.0 825.227051 27.0 839.264893 18.0 860.247009 20.0 942.953857 17.0 1047.192261 20.0 1079.423828 20.0 1083.689331 24.0 1110.172729 27.999998 1121.899048 25.0 1132.876831 19.0 1149.808105 18.0 1170.63623 22.0 END IONS BEGIN IONS SCANS=388 PEPMASS=665.21437 CHARGE=-1 COLLISION_ENERGY=0.0 50.428024 19.0 50.85318 19.0 51.743626 46.0 51.886795 18.0 52.149532 38.0 54.569191 24.0 54.634174 17.0 55.119442 30.0 55.993019 24.0 59.012745 38.0 59.315548 23.0 59.365723 20.0 59.771832 22.0 61.162952 23.0 61.808678 34.0 62.117218 25.0 62.6768 20.0 63.542141 20.0 63.800602 40.0 64.206055 28.0 64.550522 18.0 64.942352 18.0 65.43882 20.0 66.296257 21.0 66.482536 33.0 68.09388 27.0 68.94796 17.0 70.450775 20.0 70.85508 33.0 71.014084 60.0 72.017395 40.0 72.855247 18.0 73.028053 192.0 74.002289 18.0 74.029572 20.0 74.282745 17.0 74.899979 17.0 75.1343 24.0 76.000755 29.0 77.638115 28.0 79.053459 19.0 80.25412 23.0 81.028664 25.0 82.425629 20.0 83.014999 22.0 83.349678 21.0 83.479103 20.0 86.69104 20.0 87.011932 26.0 89.023048 181.0 90.459335 37.0 91.027161 20.0 92.652985 18.0 93.802689 20.0 94.74881 18.0 97.030113 206.815857 98.033463 25.0 101.024506 570.0 101.747429 18.0 102.030777 21.0 102.756493 18.0 104.694778 21.0 104.759315 23.0 106.477272 22.0 107.336082 23.0 110.532661 30.0 110.643715 21.0 111.16098 18.0 113.021553 118.0 113.56234 31.0 115.037384 92.0 116.733994 20.0 119.032104 173.0 119.947159 20.0 122.918274 22.0 123.862061 29.0 124.498886 19.0 124.694405 17.0 125.02523 56.0 127.975159 17.0 128.290634 21.0 129.951904 18.0 130.461761 35.0 131.031006 22.0 131.352905 20.0 131.383347 18.0 131.523972 31.0 132.16655 17.0 132.793198 18.0 133.05014 33.0 139.172607 18.0 141.019287 23.0 142.194763 18.0 143.035812 207.0 144.774857 20.0 146.967667 54.0 148.559799 26.0 150.652924 18.0 152.316193 21.0 155.242889 18.0 160.027512 18.0 160.468643 23.0 161.045044 2729.0 161.731033 24.0 162.04863 130.105896 162.988083 23.0 163.022736 18.0 163.64502 18.0 164.823639 20.0 169.320023 25.0 172.63002 18.0 175.359543 29.0 176.065308 23.0 177.719101 18.0 178.017029 20.0 178.951004 18.0 179.055542 984.0 179.177979 18.0 180.057709 39.0 180.780685 17.0 184.061127 23.0 195.828934 23.0 198.330124 18.0 200.404053 20.0 201.749359 20.0 203.051788 18.0 203.155701 19.0 204.531998 20.0 210.306213 28.0 212.709763 22.0 215.327606 18.0 217.884186 23.0 221.06427 467.0 222.070633 101.0 223.046722 18.0 223.075577 45.0 233.843536 22.0 235.364075 17.0 241.734573 24.0 258.971985 20.0 260.429504 22.0 261.206635 19.0 263.078613 425.0 263.841339 20.0 264.272278 20.0 264.335205 20.0 265.409912 27.0 267.550354 26.0 274.906067 18.0 277.973663 30.0 281.087158 243.0 282.089325 44.0 283.088593 18.0 289.603851 18.0 295.083374 18.0 300.732697 18.0 302.961914 19.0 308.012573 19.0 316.320984 20.0 316.370026 18.0 317.093872 21.0 317.752502 21.0 326.001038 20.0 332.338318 23.0 333.758728 21.0 337.167877 17.0 341.109711 499.0 341.560364 18.0 342.111023 99.0 343.108246 38.0 344.118561 18.0 376.097931 19.0 383.119171 1031.0 384.119812 109.0 385.111755 21.0 411.681854 20.0 413.297241 24.0 425.131683 342.0 426.121552 39.0 443.140442 193.0 449.861511 22.0 483.591919 20.0 503.164825 220.0 504.170135 66.0 505.655182 18.0 545.172241 838.0 546.178162 100.0 547.171021 141.0 557.787231 18.0 564.80835 19.0 587.183228 240.0 588.187256 49.0 592.338684 22.0 599.898682 30.0 603.973633 37.0 605.187073 45.0 622.101257 20.0 647.850464 18.0 665.216858 146.0 666.223328 37.0 689.501831 25.0 701.197327 19.0 728.201477 18.0 735.231934 29.0 758.706238 20.0 760.258362 22.0 761.871155 18.0 792.747864 20.0 837.844177 25.0 843.389526 21.0 865.246948 18.0 890.257507 18.0 901.193298 18.0 913.043701 19.0 963.805176 20.0 1018.292358 22.0 1023.936951 17.0 1044.116211 25.0 1064.083984 18.0 1084.336426 18.0 1088.697632 18.0 1097.629272 18.0 1123.048218 28.000002 1124.810669 22.0 1140.16687 24.0 1152.568848 22.0 1178.698364 18.0 END IONS BEGIN IONS SCANS=389 PEPMASS=331.1135 CHARGE=0 COLLISION_ENERGY=0.0 52.153515 18.0 53.106289 18.0 54.994091 18.0 56.217392 21.0 56.376511 19.0 57.078915 25.0 58.589432 18.0 59.015129 29.0 59.634949 44.0 59.803532 18.0 60.307529 24.0 61.866867 17.0 63.092747 20.0 63.531998 28.0 65.231712 22.0 67.030151 18.0 67.088455 18.0 67.54731 20.0 67.621437 34.0 70.152626 18.0 70.176132 18.0 72.011787 26.0 72.088989 18.0 72.565811 31.0 77.71347 22.0 77.788452 21.0 78.680573 18.0 79.018852 18.0 79.571907 19.0 79.654045 18.0 80.832771 28.0 81.097786 21.0 81.125992 22.0 84.164314 27.0 87.15847 33.0 88.374626 18.0 89.037079 18.0 89.139771 25.0 90.022064 25.0 90.670982 19.0 92.818115 30.0 93.005035 17.0 93.04686 265.999207 93.687073 18.0 93.700043 18.0 94.04438 18.0 96.015602 25.0 97.191544 20.0 98.610802 17.0 103.980263 20.0 105.585854 44.0 106.693649 22.0 107.018059 36.0 108.05925 182.0 108.291542 18.0 109.039169 36.0 110.073135 169.0 111.005493 22.0 111.071724 20.0 113.097725 27.0 113.425362 23.0 114.031197 18.0 114.516701 18.0 117.22567 25.0 117.941856 18.0 118.039658 79.0 127.406555 20.0 127.85582 26.0 128.097412 22.0 130.672531 18.0 133.470566 20.0 136.052582 79.0 136.471741 25.0 137.035095 423.0 137.05986 30.187864 138.033844 19.0 141.028549 17.0 141.545227 20.0 142.267593 18.0 142.574097 21.0 142.772842 27.0 142.98024 25.0 144.560089 26.0 146.961594 22.0 147.650009 20.0 148.128677 20.0 148.62822 20.0 149.348282 18.0 152.80101 18.0 154.061371 7574.814453 154.897018 18.0 155.062943 723.0 156.065384 90.0 156.196625 18.0 156.576157 20.0 158.302078 23.0 158.908691 23.0 159.2995 18.0 159.659592 18.0 162.416153 18.0 164.896332 20.0 165.154709 19.0 165.330658 23.0 166.051193 20.0 166.556641 20.0 170.704727 23.0 171.818985 18.0 171.833923 18.0 173.407639 17.0 173.903915 17.0 175.282913 20.0 176.044479 219.0 177.05336 20.0 181.065277 17.0 187.637543 26.0 196.741409 18.0 197.809677 20.0 203.004425 22.0 203.574585 18.0 214.337326 28.0 214.408768 18.0 217.060669 20.0 218.019531 17.0 218.760818 20.0 222.634979 19.0 223.067093 20.0 223.485489 17.0 229.768066 18.0 231.128738 25.0 235.139999 20.0 236.800461 49.0 238.131256 20.0 239.037109 89.0 239.837631 35.0 239.951019 17.0 240.941559 20.0 242.28183 25.0 243.591049 28.0 249.564407 18.0 250.390823 17.0 253.979889 24.0 254.176865 24.0 261.151825 20.0 262.798706 18.0 265.387848 17.0 268.086914 22.0 268.407349 20.0 268.744934 22.0 272.546722 23.0 279.500885 28.0 281.843811 18.0 285.578491 22.0 286.943756 22.0 288.690582 18.0 291.480225 17.0 298.80011 18.0 299.498505 20.0 309.129303 43.0 309.57663 18.0 311.574615 18.0 313.739136 18.0 315.767487 17.0 317.523285 23.0 325.021088 20.0 331.111847 510.0 332.023804 18.0 332.112396 79.0 335.217773 18.0 345.336639 20.0 358.056244 28.0 369.246521 26.0 377.591766 18.0 384.799652 34.0 385.339111 17.0 390.981476 18.0 407.113251 18.0 408.957184 19.0 443.056671 20.0 455.504395 19.0 455.705048 18.0 464.231537 19.0 487.233398 22.0 488.017365 43.0 496.174835 17.0 497.19165 25.0 510.182281 19.0 515.956482 24.0 529.346008 22.0 536.157776 17.0 537.173645 18.0 538.24408 22.0 540.44281 24.0 545.643616 18.0 566.143188 18.0 578.279785 20.0 654.872498 20.0 661.560181 17.0 701.176331 20.0 702.176575 18.0 720.075867 18.0 741.089294 18.0 752.940247 18.0 765.05188 18.0 788.060425 23.0 822.104797 18.0 905.070618 44.0 907.171936 18.0 919.275757 22.0 927.926147 18.0 930.975098 18.0 946.072998 22.0 948.074829 17.0 962.054443 17.0 1016.264954 18.0 1028.099487 26.0 1029.214844 21.0 1031.075562 18.0 1061.263306 53.0 1108.717651 17.0 1117.165649 18.0 1133.181396 20.0 1143.757324 37.0 1152.980957 29.000002 1162.439453 20.0 END IONS BEGIN IONS SCANS=390 PEPMASS=154.06173 CHARGE=-1 COLLISION_ENERGY=0.0 52.299709 44.0 52.440464 18.0 52.90728 22.0 54.112839 20.0 55.016869 21.0 55.890656 17.0 56.767689 17.0 57.079533 20.0 57.595657 30.0 57.709877 18.0 58.259422 18.0 58.919605 18.0 59.302101 19.0 60.006428 20.0 60.348324 18.0 60.644772 18.0 61.364483 18.0 61.977448 22.0 62.238049 24.0 63.629826 18.0 65.068275 20.0 65.166672 18.0 66.034927 199.0 66.885292 25.0 67.029251 636.786621 67.587975 18.0 68.191704 20.0 69.765747 22.0 69.957115 18.0 70.87561 20.0 71.451393 19.0 71.677177 20.0 72.008125 755.0 72.365433 54.0 72.680351 38.0 73.015358 18.0 73.477829 22.0 73.826752 18.0 74.024055 293.0 74.288651 23.0 75.913292 20.0 76.031441 19.0 76.390953 17.0 76.910576 30.0 77.14756 18.0 79.025764 19.0 79.042931 18.0 79.142319 18.0 80.037086 1641.0 81.044922 1656.0 81.542786 17.0 82.048096 102.0 82.159538 20.0 82.380829 17.0 82.891434 18.0 83.047302 27.0 83.110954 17.0 83.182732 18.0 83.80706 27.0 85.773735 20.0 86.024567 19.0 87.221535 21.0 87.836571 31.0 88.367447 20.0 90.526093 17.0 90.727203 21.0 90.980553 18.0 91.24688 18.0 91.624352 21.0 91.736183 33.0 92.149513 26.0 92.261078 20.0 92.765182 20.0 93.045372 10076.705078 93.162704 18.0 93.513016 22.0 93.832016 47.0 93.871307 29.0 94.027824 18.0 94.049301 452.205322 94.232056 18.0 94.465263 22.0 94.805855 17.0 96.165886 18.0 97.216476 26.0 97.31311 22.0 98.122307 19.0 99.720154 20.0 100.786621 23.0 101.076332 17.0 102.860191 18.0 104.582085 23.0 105.09343 37.0 105.65583 20.0 107.023537 18.0 107.678749 19.0 108.056427 1225.0 108.7174 20.0 108.785095 21.0 109.040169 441.0 109.059288 83.0 109.576973 19.0 109.966309 21.0 110.045197 35.180691 110.071617 2562.178711 110.170364 24.0 111.055893 43.0 111.077431 161.0 112.916054 18.0 114.295135 33.0 114.32415 18.0 114.530411 18.0 115.943787 18.0 117.627289 20.0 117.855438 18.0 118.042549 369.0 118.138199 18.0 119.024429 19.0 119.254631 19.0 123.371292 18.0 124.654953 34.0 126.213409 19.0 128.269135 30.0 129.482193 25.0 132.504684 33.0 134.275024 19.0 135.050446 30.0 135.203857 18.0 136.051224 1973.0 136.246002 21.0 136.708298 18.0 136.813278 18.0 137.035278 5985.223633 137.293503 18.0 137.761307 17.0 138.0392 358.0 138.31575 19.0 139.041016 21.0 142.735199 19.0 145.579132 33.0 146.144684 26.0 146.96257 46.0 148.199402 20.0 152.561493 18.0 153.09201 22.0 153.932449 24.0 154.061218 16695.654297 154.866043 18.0 155.06459 1420.0 155.30423 18.0 155.789536 17.0 156.033569 22.0 156.071472 121.947495 157.446228 17.0 158.04718 20.0 158.157013 25.0 160.440125 48.0 161.89888 22.0 169.841415 21.0 173.393036 26.0 174.387497 18.0 175.352341 18.0 182.229218 28.0 191.626984 27.0 191.649399 22.0 191.75322 17.0 194.486023 28.0 196.636993 20.0 198.120544 18.0 202.398834 21.0 202.793365 25.0 210.689804 24.0 212.19371 18.0 213.290695 20.0 219.287186 18.0 222.338913 23.0 223.124619 18.0 229.50853 34.0 239.039978 22.0 240.328003 21.0 241.509079 18.0 246.039612 18.0 249.143616 21.0 257.34967 19.0 258.488373 18.0 259.180237 30.0 260.233032 30.000002 266.400879 34.0 269.653442 17.0 270.450256 18.0 270.982758 20.0 271.995148 21.0 280.212402 36.0 280.549622 25.0 281.761108 22.0 281.984558 19.0 283.355804 19.0 290.545166 18.0 299.728668 23.0 300.851501 19.0 308.417023 21.0 309.137268 18.0 311.13324 18.0 315.765015 18.0 320.094086 18.0 328.893127 22.0 331.112762 56.0 332.12323 55.0 334.735168 22.0 335.992889 21.0 339.37854 20.0 342.982697 26.0 348.151489 18.0 349.150146 20.0 365.649445 22.0 393.313721 18.0 407.868164 21.0 414.453735 18.0 501.110199 26.0 502.69873 20.0 517.938049 18.0 573.029968 18.0 583.068054 19.0 600.886353 18.0 634.392517 20.0 677.453247 29.999998 697.342712 17.0 720.131592 36.0 739.153015 17.0 746.676392 21.0 753.126831 21.0 805.061829 25.0 807.265503 18.0 820.274414 37.0 838.057495 22.0 854.895447 25.0 869.038757 23.0 874.271545 19.0 887.139282 20.0 964.101624 20.0 970.142212 18.0 981.025391 33.0 996.000305 17.0 997.339355 18.0 999.326904 17.0 1016.088928 19.0 1041.184326 19.0 1049.303223 17.0 1065.272827 27.0 1070.343018 32.0 1085.592285 23.0 1087.192017 39.0 1090.211548 22.0 1097.738403 26.0 1099.145996 18.0 1104.31604 20.0 1125.128906 20.0 1125.8479 24.0 1126.566772 17.0 1149.665161 18.0 1152.630005 22.0 1165.231812 18.0 1176.355469 33.0 1176.494751 18.0 1184.984497 19.0 END IONS BEGIN IONS SCANS=391 PEPMASS=711.2197 CHARGE=-1 COLLISION_ENERGY=0.0 53.930183 20.0 54.566696 23.0 55.109474 19.0 55.249504 18.0 58.347553 22.0 58.836212 19.0 59.011471 38.0 59.871483 50.0 62.169846 20.0 63.782242 18.0 69.545151 21.0 71.012764 87.0 72.220337 18.0 73.028 131.0 73.386887 24.0 73.481354 22.0 74.034874 27.0 75.257393 19.0 76.059929 18.0 77.653175 18.0 78.376183 23.0 78.699738 18.0 81.659004 18.0 81.926796 20.0 82.355507 17.0 82.617653 22.0 83.014336 46.0 83.833092 31.0 86.113884 18.0 86.995659 18.0 87.041718 18.0 87.135254 18.0 89.027557 109.0 94.442863 17.0 94.754715 17.0 96.203789 43.0 97.029137 183.341934 98.028496 19.0 98.608887 18.0 99.047997 23.0 99.112938 22.0 99.576157 18.0 99.690605 18.0 100.091255 19.0 101.02475 657.0 101.083694 25.0 102.299187 29.000002 103.039185 40.0 104.250938 18.0 105.179092 37.0 107.933296 18.0 112.583466 18.0 113.025238 126.0 114.031631 30.0 115.037636 83.0 115.077408 18.0 115.620804 18.0 118.233322 22.0 119.037819 96.0 120.041382 23.0 121.361198 18.0 121.887794 17.0 122.59272 34.0 123.565926 19.0 125.02597 27.0 128.102081 20.0 128.918594 18.0 129.050369 18.0 132.330444 20.0 134.863327 24.0 135.141357 26.0 140.177628 18.0 141.326996 18.0 142.178726 18.0 143.034225 380.0 143.132629 26.0 143.202301 42.0 144.671768 17.0 144.717712 19.0 145.033997 18.0 145.046188 33.245556 149.045273 19.0 150.152283 24.0 154.423798 20.0 155.533661 18.0 158.285034 18.0 161.044983 4058.0 162.04628 182.0 163.048996 74.0 164.392502 22.0 165.873657 24.0 167.812561 18.0 167.955917 18.0 171.889694 18.0 174.041183 18.0 174.059753 25.0 177.660248 30.0 179.055511 1265.0 179.578064 18.0 180.057571 112.0 180.582275 24.0 181.064713 21.0 182.255463 18.0 183.468155 18.0 185.226624 20.0 186.350784 22.0 189.836258 18.0 190.132568 46.0 191.526733 18.0 193.042252 96.0 195.052948 39.0 201.036957 19.0 203.18718 18.0 209.076645 20.0 209.690948 18.0 216.022476 44.0 221.066544 526.0 222.074219 94.0 223.071854 22.0 224.547684 18.0 227.021439 23.0 228.682907 25.0 232.350815 47.0 234.272202 20.0 238.386475 18.0 251.055954 18.0 253.05545 18.0 263.077118 320.0 264.08374 44.0 264.932312 18.0 272.377625 18.0 274.269012 17.0 276.644073 18.0 278.239471 18.0 280.2052 31.0 281.08844 614.0 282.085663 42.0 282.413513 18.0 283.105194 18.0 289.074219 22.0 290.956512 23.0 291.243896 19.0 293.032043 35.0 299.159088 18.0 307.46283 19.0 309.93808 21.0 310.229584 17.0 312.424103 20.0 314.999542 20.0 317.05545 23.0 317.986877 27.0 323.096283 41.0 337.458923 23.0 341.109802 1241.0 341.210297 20.0 341.706238 18.0 341.756714 20.0 342.112366 191.0 344.118561 58.0 344.417419 18.0 346.429382 17.0 346.894928 28.0 365.108704 18.0 366.115295 19.0 383.121185 1422.0 384.123138 287.0 385.131866 44.0 387.076935 20.0 398.534302 20.0 403.684875 17.0 406.27124 21.0 411.067322 17.0 413.12674 29.0 417.906677 18.0 420.178833 20.0 425.037689 20.0 425.129456 909.0 425.967773 19.0 426.131866 118.0 436.6604 18.0 443.140411 277.0 444.140961 94.0 445.146454 40.0 452.693054 18.0 456.717072 18.0 461.744812 18.0 482.122467 22.0 483.456848 30.999998 486.161041 28.0 501.537354 18.0 503.16153 939.0 504.167664 229.0 505.160126 58.0 513.523193 18.0 524.720459 18.0 537.130981 18.0 540.070068 19.0 545.105957 21.0 545.171509 1271.0 546.17804 530.0 547.178894 116.0 548.198242 22.0 548.312866 21.0 548.771423 18.0 587.181213 459.0 588.183167 182.0 601.14563 20.0 605.188965 169.0 606.217834 57.0 607.197327 35.0 610.029419 22.0 629.732178 21.0 633.27179 18.0 636.612183 23.0 665.213867 415.0 666.21106 237.0 667.215637 37.0 711.219299 60.0 719.148315 18.0 841.136169 19.0 859.254883 53.0 934.496887 19.0 1041.064453 20.0 1041.524658 32.0 1082.188599 53.0 1086.251343 21.0 1103.072388 17.0 1123.207031 37.0 1162.18689 24.0 END IONS BEGIN IONS SCANS=392 PEPMASS=665.21469 CHARGE=0 COLLISION_ENERGY=0.0 50.030243 50.0 51.183067 22.0 52.784275 19.0 52.806427 22.0 53.016991 18.0 54.824596 21.0 55.745277 21.0 57.633995 18.0 59.531334 28.0 62.128792 18.0 63.056263 18.0 63.945553 18.0 63.985325 20.0 65.080109 18.0 65.745712 18.0 65.809921 17.0 71.015602 17.0 73.029594 45.0 73.910652 25.0 74.126846 24.0 74.310249 29.0 75.589096 25.0 75.93351 17.0 76.899506 22.0 78.196289 19.0 81.035591 47.0 81.395348 18.0 82.228134 29.0 82.409126 18.0 82.619972 20.0 83.161644 28.0 83.865318 20.0 84.86747 18.0 85.048248 17.0 86.841705 20.0 87.747826 23.0 89.02388 37.0 89.386116 20.0 91.241982 29.0 93.651237 17.0 94.897507 22.0 96.510765 22.0 96.958305 18.0 97.028595 90.0 100.072304 18.0 101.023949 229.0 101.312294 18.0 105.02195 17.0 107.03447 23.0 107.996979 19.0 110.191849 18.0 113.655457 21.0 114.785316 25.0 115.043472 43.0 116.389023 18.0 117.312248 43.0 117.756966 19.0 119.034096 79.0 122.294769 18.0 123.910851 31.0 124.070419 22.0 124.824715 46.0 125.277596 17.0 126.028191 18.0 126.145844 36.0 129.675507 20.0 130.246368 48.0 131.337463 26.0 132.615417 18.0 135.471893 20.0 136.463882 18.0 137.202942 25.0 138.030106 26.0 138.922958 18.0 142.260223 21.0 143.03479 18.0 143.100204 22.0 144.516647 18.0 145.00032 18.0 145.616577 24.0 148.548401 20.0 150.677277 27.0 153.151581 17.0 160.014481 17.0 161.045456 547.0 162.051025 65.0 162.069733 17.0 162.25737 19.0 162.498322 27.0 163.16716 18.0 164.585388 62.0 166.194321 18.0 174.954834 17.0 176.167114 49.0 179.054504 321.0 179.349777 27.0 181.065048 34.0 181.579376 20.0 182.195358 51.0 190.582947 34.0 191.073868 20.0 193.03717 116.0 193.373734 29.0 193.652679 22.0 193.700348 18.0 194.392609 18.0 198.704422 43.0 201.554108 73.0 201.915176 18.0 205.040787 19.0 208.054214 18.0 208.104004 21.0 208.404648 18.0 208.801056 18.0 211.524048 21.0 213.188751 18.0 217.933487 18.0 220.896225 20.0 221.064575 138.0 222.057526 18.0 223.305145 18.0 226.392105 18.0 227.61499 19.0 237.139771 20.0 237.680878 18.0 239.046295 24.0 243.910843 18.0 247.363831 22.0 261.788422 33.0 263.078918 76.0 266.944031 34.0 267.001984 32.0 274.880341 18.0 275.069122 21.0 281.087708 59.0 281.501038 18.0 282.090637 40.0 284.591339 56.0 290.390503 20.0 292.4245 25.0 302.613617 21.0 318.264893 18.0 319.253723 19.0 323.030518 31.0 323.099976 18.0 325.188232 38.0 325.614319 38.0 329.092133 22.0 331.115082 27.0 332.113464 29.0 333.076416 19.0 335.550598 20.0 341.109375 265.0 342.106628 28.0 359.771332 39.0 367.671326 20.0 374.271759 20.0 379.991272 18.0 383.122162 471.0 384.122528 35.0 389.395416 18.0 392.691284 25.0 394.165497 34.0 412.647186 25.0 425.124359 53.0 425.828766 18.0 427.785919 19.0 435.768036 17.0 443.142212 58.0 464.984711 33.0 503.154907 110.0 504.105652 25.000002 504.165283 47.0 518.999878 26.999998 531.660583 19.0 537.604004 18.0 545.176086 351.0 546.17511 71.929062 547.165466 22.0 550.55957 17.0 587.18634 37.0 662.543579 24.0 665.203857 145.0 666.36731 25.0 667.141052 23.0 667.208862 20.0 728.236816 21.0 802.253052 18.0 813.229858 18.0 820.279053 17.0 821.297302 17.0 839.080261 20.0 878.272156 18.0 887.06488 19.0 915.098022 21.0 924.16571 18.0 1022.712524 17.0 1050.23645 22.0 1112.927002 18.0 1124.935181 24.0 1146.209351 24.0 1149.075806 17.0 1152.211548 18.0 1154.111328 18.0 1169.300293 20.0 1173.327881 18.0 END IONS BEGIN IONS SCANS=393 PEPMASS=728.2103 CHARGE=-1 COLLISION_ENERGY=0.0 50.425453 20.0 50.957092 19.0 51.828644 18.0 53.387482 17.0 53.460728 22.0 53.651199 25.0 54.135872 18.0 55.068989 20.0 56.613419 18.0 56.796963 20.0 58.874111 19.0 61.168728 35.0 61.700615 22.0 61.987457 1030.0 62.681541 18.0 66.814751 18.0 67.111855 20.0 67.549683 19.0 69.59111 20.0 70.30555 36.0 70.58007 17.0 77.077377 18.0 77.369781 36.0 78.237289 29.0 78.759285 21.0 79.51844 24.0 79.562561 44.0 82.493362 17.0 87.70591 21.0 88.377968 18.0 89.051956 51.0 89.337837 20.0 95.246536 18.0 95.410843 29.0 96.395683 18.0 99.595978 21.0 101.020287 36.0 101.079865 19.0 101.36377 20.0 101.807205 42.0 102.103973 18.0 103.060722 19.0 104.581367 18.0 104.640762 25.0 105.123856 19.0 110.921661 20.0 111.420914 50.0 114.807968 33.0 115.884224 18.0 116.919212 19.0 117.49012 17.0 120.988083 40.0 121.993179 23.0 124.439407 17.0 126.481674 24.0 128.075684 21.0 128.216995 18.0 130.146881 24.0 132.122208 17.0 133.006668 19.0 133.977951 21.0 134.28273 18.0 139.676071 18.0 143.108627 18.0 144.324646 19.0 145.792099 26.0 146.961456 22.0 148.845032 18.0 149.041824 18.0 149.558395 20.0 151.143066 18.0 152.605118 24.0 156.87706 27.0 161.046387 188.0 162.047516 38.0 163.261475 20.0 164.563507 20.0 164.831863 18.0 169.607666 22.0 176.196457 23.0 176.358963 17.0 176.630142 24.0 177.215576 22.0 179.059937 38.0 183.024185 25.0 183.123337 19.0 184.071716 19.0 184.913132 26.0 186.097763 19.0 186.95813 19.0 191.447876 30.0 193.033859 92.0 201.004578 18.0 205.977478 18.0 210.14003 18.0 210.43515 19.0 215.19957 24.0 221.064621 37.0 221.935349 19.0 223.286209 19.0 224.054138 25.0 224.739197 27.0 229.864304 20.0 230.168045 20.0 237.264481 28.0 239.034058 37.0 243.588364 18.0 245.544174 18.0 245.667923 19.0 252.823807 19.0 259.656952 18.0 260.091888 17.0 263.073914 18.0 269.754333 22.0 271.617493 19.0 273.637299 18.0 274.61969 17.0 277.118591 20.0 277.561829 17.0 281.049255 37.0 281.096161 18.0 282.081329 20.0 282.899231 18.0 284.98938 28.0 289.333496 21.0 292.45401 20.0 294.454163 36.0 299.475586 18.0 299.941284 21.0 314.381073 30.0 316.055267 26.0 316.574738 22.0 319.179504 17.0 324.107819 51.0 329.743835 22.0 341.101624 126.0 342.115479 18.0 348.911499 17.0 357.25177 22.0 363.998474 17.0 372.939087 22.0 373.850372 17.0 383.116486 88.0 384.126923 18.0 399.200348 24.0 401.583221 23.0 413.105011 22.0 420.707306 22.0 425.133453 17.0 426.131897 58.0 444.134338 45.0 447.997467 39.0 458.295105 18.0 462.592896 22.0 483.51297 31.0 490.029541 31.0 503.168579 83.0 504.170471 42.0 529.143738 52.0 533.429565 19.0 540.059143 18.0 545.177612 250.0 548.178772 18.0 552.274658 18.0 553.100952 20.0 562.049988 85.0 562.17511 27.0 562.393677 17.0 571.973022 24.0 577.276489 21.0 587.190308 59.0 598.112732 24.0 605.190979 40.0 611.753357 32.0 665.205505 20.0 666.223511 19.0 701.19342 20.0 708.141052 19.0 716.446716 18.0 717.362854 17.0 728.208679 2532.973877 728.896118 19.0 729.214294 724.0 730.218933 373.0 731.226685 18.0 744.938721 17.0 745.311401 18.0 759.053223 23.0 772.171143 27.0 816.104126 20.0 819.216797 25.0 820.261414 18.0 859.267639 19.0 1014.266602 31.0 1068.523438 18.0 1070.964966 18.0 1171.291626 56.0 1197.270752 22.0 END IONS BEGIN IONS SCANS=394 PEPMASS=665.21448 CHARGE=0 COLLISION_ENERGY=0.0 55.253834 22.0 56.485302 55.0 61.691895 19.0 65.660202 68.0 71.013298 49.0 73.028618 80.0 80.612526 18.0 81.027145 20.0 86.099861 32.0 87.010399 21.0 89.024818 136.0 95.775932 26.0 96.157906 21.0 97.024345 22.0 101.025139 349.905701 101.12265 17.0 103.030563 31.0 105.305641 29.0 106.48394 20.0 110.148216 22.0 113.02459 137.0 114.022331 18.0 115.036537 18.0 116.332458 17.0 117.337173 21.0 119.032097 94.0 121.839531 18.0 131.029617 20.0 137.241104 30.0 140.016388 20.0 142.768631 22.0 143.034622 71.0 144.031799 18.0 145.013184 20.0 146.045975 18.0 146.160339 20.0 147.697952 21.0 148.078323 29.0 149.048859 42.0 150.05687 25.0 151.329071 18.0 154.058868 24.0 155.117355 21.0 160.296356 18.0 160.879456 20.0 161.046371 736.0 161.349533 18.0 162.052414 21.0 162.914917 18.0 166.611496 18.0 167.029587 18.0 168.602066 27.0 170.564072 24.0 173.110001 47.0 177.424683 23.0 177.819275 28.0 179.055969 1207.0 179.100571 18.0 180.06073 194.0 181.434341 43.0 191.017776 17.0 221.069397 266.0 222.070602 39.0 230.33255 22.0 231.325638 17.0 233.897415 22.0 234.117172 47.0 239.044037 22.0 251.070663 98.0 256.309021 18.0 256.429993 23.0 263.075104 35.0 281.092407 180.0 293.176361 49.0 315.107697 22.0 315.130463 21.0 316.140656 26.0 321.414246 19.0 323.098114 101.0 324.908783 27.0 325.111877 17.0 331.488556 22.0 336.115143 21.0 341.10553 453.0 342.11618 119.0 344.121002 35.0 347.202789 27.0 365.114471 74.0 380.669128 20.0 383.118134 571.730774 383.566956 18.0 384.127472 128.0 425.133698 131.0 426.119446 23.0 445.957581 20.0 449.658997 24.0 485.146729 17.0 493.09613 25.0 493.240753 22.0 503.160706 136.0 504.170837 57.0 539.512207 21.0 545.174377 425.0 546.174255 55.0 547.176941 23.0 548.185364 32.0 572.046692 18.0 587.17395 57.0 588.185669 38.0 589.19397 22.0 605.191772 22.0 649.284546 18.0 665.214539 96.0 666.217896 36.0 718.834045 22.999998 END IONS BEGIN IONS SCANS=395 PEPMASS=154.0617 CHARGE=0 COLLISION_ENERGY=0.0 50.043743 25.0 50.583378 19.0 50.89534 24.0 51.167324 18.0 51.383568 20.0 51.958622 21.0 52.046791 22.0 52.360348 18.0 52.414421 20.0 52.492874 18.0 52.78083 20.0 53.256287 20.0 53.309086 22.0 54.298428 20.0 55.265411 18.0 56.28054 23.0 56.409401 20.0 57.912033 22.0 58.051048 18.0 58.35183 17.0 58.585308 25.0 58.614147 43.0 59.340229 17.0 59.467777 17.0 59.691483 20.0 59.761162 29.0 60.296951 22.0 60.446484 17.0 60.633892 18.0 60.826073 20.0 61.5751 20.0 61.606888 37.0 61.95039 23.0 64.003868 26.0 64.056892 17.0 64.345314 18.0 64.483002 17.0 65.276581 22.0 65.297951 23.0 65.518539 23.0 65.754318 22.0 66.032936 18.0 66.223991 18.0 66.261688 28.0 66.289558 20.0 66.929962 20.0 67.032104 37.0 67.429085 20.0 68.663338 18.0 69.079185 19.0 69.192383 20.0 69.884544 18.0 70.102058 20.0 70.398903 21.0 70.514481 22.0 70.619598 22.0 70.679787 18.0 70.724983 17.0 71.697945 18.0 71.797836 28.0 72.007729 183.0 72.613365 29.0 74.025269 39.0 75.813904 24.0 76.042435 20.0 76.120018 18.0 76.16465 18.0 76.682343 18.0 76.711761 20.0 77.486015 18.0 78.124115 17.0 78.458748 25.0 78.48233 17.0 78.656548 22.0 79.031372 24.0 80.039139 354.0 81.046043 312.86795 81.379547 18.0 81.499237 19.0 81.796066 18.0 82.355766 17.0 82.526749 18.0 82.628487 18.0 82.932785 18.0 83.05069 22.0 84.375908 22.0 85.291855 22.0 86.026764 20.0 87.139267 23.0 87.250587 23.0 87.833679 24.0 88.262871 17.0 90.103241 18.0 91.028183 41.0 91.531204 19.0 92.659286 17.0 93.045471 2030.344727 93.503227 22.0 93.998909 25.0 94.050255 122.0 94.316696 18.0 94.724014 17.0 95.048203 18.0 95.175201 18.0 95.225555 19.0 95.470871 20.0 95.548271 17.0 95.890999 20.0 96.165237 17.0 96.302689 19.0 96.370735 22.0 97.250587 24.0 97.456429 21.0 98.117882 18.0 98.509087 19.0 100.414291 18.0 100.437202 17.0 100.613609 18.0 100.849609 21.0 101.09156 19.0 101.361595 40.0 101.814346 21.0 101.953026 47.0 103.610268 20.0 103.649307 18.0 104.349037 22.0 106.633408 40.0 107.193741 34.0 108.058136 377.639587 108.22747 25.0 109.040848 195.0 109.72213 22.0 110.07177 362.0 110.441734 18.0 111.019951 38.0 111.079933 60.0 112.65332 19.0 114.905838 22.0 115.206886 18.0 118.042358 74.0 118.917923 20.0 119.14949 50.0 119.253265 24.0 119.437553 19.0 119.918724 22.0 120.081306 18.0 120.721367 26.0 120.95356 17.0 121.559235 18.0 121.730461 20.0 122.382629 29.0 122.639786 17.0 123.053696 21.0 123.416534 21.0 124.090622 27.0 126.413727 24.0 126.535751 20.0 127.341278 20.0 127.372772 20.0 128.290222 19.0 128.4776 21.0 129.779282 25.0 130.044662 20.0 130.307175 25.0 130.707291 23.0 131.641113 24.0 131.697876 23.0 132.363281 20.0 133.231888 20.0 133.355484 18.0 134.555389 18.0 134.679886 28.0 136.049576 412.0 136.985748 23.0 137.035156 1519.040161 137.153503 18.0 137.461472 25.0 137.850769 20.0 138.042618 103.46244 138.259613 47.0 138.632202 23.0 139.953247 23.0 142.32341 21.0 142.889267 23.0 145.928162 26.0 146.436615 28.0 146.712845 18.0 147.659073 18.0 147.967224 18.0 148.890289 28.0 149.626114 18.0 152.208359 31.0 152.733643 17.0 152.909836 20.0 153.472061 18.0 154.062012 4429.623047 154.927948 18.0 155.019638 18.0 155.063461 452.0 155.239273 22.0 155.588074 32.0 156.065323 55.0 156.084534 21.0 156.743195 32.0 156.971191 18.0 157.024643 48.0 157.071381 21.0 158.761353 17.0 160.133072 41.0 160.888779 21.0 161.084549 38.0 163.325012 24.0 163.419022 20.0 164.289108 32.0 164.732056 20.0 165.394226 33.0 167.50502 19.0 167.55481 20.0 168.263138 17.0 168.957932 17.0 169.164917 29.0 170.749451 25.0 173.104111 37.0 173.61412 18.0 174.004578 26.0 176.539261 20.0 177.213623 22.0 180.590912 21.0 180.63356 19.0 181.762604 20.0 181.973526 22.0 183.072311 20.0 183.632935 23.0 186.208267 17.0 187.155762 28.0 190.464539 19.0 190.559738 22.0 191.160248 23.0 191.276627 21.0 192.29039 30.0 193.581818 17.0 194.323074 18.0 197.860138 18.0 201.161606 37.0 203.396225 28.0 204.844772 23.0 206.425995 19.0 207.747162 18.0 208.480621 20.0 220.336594 20.0 220.681076 20.0 222.680847 17.0 224.110382 26.0 224.784866 22.0 224.868057 37.0 228.36293 25.0 229.001907 21.0 229.036087 21.0 229.176559 20.0 232.94165 19.0 235.661957 17.0 238.597488 18.0 239.041397 26.0 239.831299 35.0 240.277054 21.0 241.025391 18.0 241.321793 21.0 241.918457 37.0 242.328842 31.0 242.902344 26.0 245.029846 18.0 247.725021 19.0 248.52533 22.0 253.19223 31.0 258.08432 22.0 259.703827 22.0 261.288025 31.0 261.90387 18.0 262.477936 19.0 265.53067 21.0 265.760498 21.0 266.109436 29.0 266.165344 20.0 268.647247 29.0 272.723907 18.0 274.275848 17.0 278.572723 25.0 278.759979 21.0 279.092407 18.0 282.243011 44.0 282.539185 26.0 290.84314 21.0 291.21225 20.0 291.243042 30.0 292.060913 18.0 293.027435 21.0 294.380341 20.0 295.043335 22.0 295.775421 17.0 296.129944 18.0 297.415466 24.0 297.610046 22.0 300.110931 18.0 304.048218 20.0 310.216309 18.0 312.450989 18.0 312.989716 23.0 315.584503 18.0 321.501801 20.0 330.674957 20.0 331.11676 18.0 339.519653 22.0 340.811829 24.0 341.104218 25.0 344.634613 18.0 347.220398 20.0 349.768219 25.0 350.451447 25.0 350.845886 18.0 365.27298 18.0 366.887329 30.0 367.115021 22.0 369.202545 19.0 369.389587 37.0 370.705963 25.0 372.037476 23.0 379.213043 30.0 382.091583 20.0 386.249176 20.0 386.766693 22.0 398.845856 22.0 407.249939 18.0 410.201904 18.0 417.011597 20.0 421.401306 20.0 425.123871 22.0 439.516998 40.0 440.127716 18.0 441.772308 19.0 448.22525 24.0 469.970062 24.0 503.158691 18.0 522.347717 21.0 538.136841 18.0 543.320496 18.0 556.324158 18.0 557.308899 20.0 566.29071 20.0 576.247925 18.0 587.41626 18.0 600.208069 20.0 624.151123 18.0 629.246521 18.0 636.013855 22.0 662.333984 18.0 666.372559 18.0 677.23407 19.0 695.432068 17.0 716.341309 18.0 717.233337 18.0 717.404053 18.0 749.376709 20.0 797.048218 25.0 809.8526 20.0 834.289001 18.0 835.239502 19.0 870.315674 26.0 885.360962 18.0 917.232361 17.0 944.511597 26.0 948.441711 20.0 959.251648 21.0 979.415894 25.0 1027.104736 18.0 1029.510864 17.0 1032.600586 17.0 1035.581909 18.0 1053.541992 28.0 1060.369873 18.0 1061.497437 17.0 1067.449463 24.0 1073.128662 34.0 1090.053833 24.0 1098.398315 20.0 1107.339478 18.0 1109.577026 28.0 1120.283081 17.0 1128.147461 18.0 1130.546387 18.0 1135.618042 17.0 1141.212524 24.0 1146.535889 29.0 1148.46814 17.0 1152.520142 18.0 1163.473633 20.0 1164.567749 17.0 1183.540283 22.0 1191.027954 45.0 1191.522949 18.0 1191.716919 41.0 END IONS BEGIN IONS SCANS=396 PEPMASS=131.08221 CHARGE=0 COLLISION_ENERGY=0.0 50.973087 18.0 51.199863 27.0 51.893513 30.0 51.96706 18.0 52.087635 18.0 52.824478 18.0 53.34655 21.0 53.388626 20.0 53.959522 19.0 53.989929 18.0 55.388508 21.0 55.61755 18.0 56.290833 17.0 56.498508 20.0 56.551437 18.0 57.206291 19.0 57.919807 18.0 58.179031 20.0 59.389408 20.0 59.494148 17.0 59.787758 40.0 60.404274 26.0 60.768814 36.0 61.140949 18.0 63.068237 25.0 63.078796 25.0 63.129051 18.0 63.873032 27.0 64.975494 23.0 65.265594 22.0 65.383133 22.0 65.494179 18.0 65.983803 24.0 66.068481 22.0 66.129448 18.0 66.248848 20.0 66.356125 47.0 67.100784 22.0 68.357422 21.0 69.526016 22.0 69.734177 20.0 69.972153 18.0 70.253044 26.0 70.392342 18.0 71.008842 22.0 71.134972 24.0 71.223412 18.0 72.660995 18.0 74.507172 18.0 75.005104 39.0 75.592667 24.0 75.930138 26.0 77.053604 17.0 77.871544 21.0 78.292717 29.0 78.70575 27.0 79.523445 17.0 80.054184 21.0 80.154762 20.0 80.292068 19.0 81.78495 18.0 82.516426 18.0 82.623802 30.0 82.649994 18.0 83.401405 18.0 83.41423 18.0 83.826828 20.0 83.929527 18.0 84.032295 20.0 84.611427 22.0 85.04348 24.0 85.553116 18.0 85.769867 22.0 86.06189 20.0 86.085159 27.0 86.362541 18.0 86.924797 33.0 87.131287 17.0 87.297523 24.0 87.806366 20.0 90.004753 41.0 90.876526 20.0 91.361153 23.0 91.932831 18.0 93.157974 18.0 93.355492 20.0 93.676514 20.0 93.974571 19.0 93.997787 26.0 94.157455 25.0 94.206375 20.0 94.742073 18.0 94.873474 28.0 95.05928 33.0 95.335869 18.0 95.777206 25.0 95.922348 19.0 96.012184 23.0 97.426826 18.0 97.733971 36.0 99.058586 24.0 99.122871 18.0 99.659279 23.0 100.451317 21.0 100.561577 18.0 101.439735 18.0 102.290047 25.0 103.001579 18.0 103.42524 19.0 104.347572 17.0 104.361992 17.0 104.515236 22.0 104.533821 18.0 105.161972 17.0 105.378525 17.0 105.660492 23.0 107.948433 19.0 108.877762 20.0 109.111176 24.0 109.402489 17.0 111.052231 25.0 112.733482 19.0 112.782089 29.0 113.482971 25.0 114.004272 19.0 114.605156 20.0 114.676109 20.0 115.002052 46.0 115.947968 22.0 116.079605 18.0 116.738617 29.0 117.012657 26.0 117.151779 20.0 117.628418 22.0 119.431953 17.0 120.731857 25.0 120.888481 24.0 121.244972 18.0 121.333313 21.0 122.710785 18.0 122.917534 18.0 123.907814 18.0 123.929359 50.0 124.062103 34.0 124.24382 20.0 125.747604 18.0 126.524986 24.0 131.081848 243.0 131.379639 18.0 131.774323 23.0 132.087097 22.0 132.260162 25.0 132.993454 65.0 133.010864 47.0 133.050049 89.0 133.427414 21.0 134.48465 30.0 135.035675 35.0 135.362854 18.0 136.297226 20.0 136.313263 26.0 139.517929 17.0 141.764481 19.0 142.459976 26.0 142.532318 23.0 142.72113 31.000002 143.7966 29.0 144.050964 30.0 144.142288 33.0 144.395859 17.0 145.531845 25.0 148.358963 20.0 150.090866 18.0 150.272064 18.0 151.462311 18.0 151.512283 22.0 154.79425 20.0 155.398102 30.0 159.644196 24.0 160.207718 18.0 161.795776 36.0 161.977448 37.0 162.7547 17.0 163.193649 23.0 164.817383 19.0 167.876999 18.0 167.985626 20.0 170.308914 42.0 171.004913 18.0 173.097397 49.0 175.593735 20.0 177.112808 28.0 177.441742 20.0 177.609024 24.0 177.985016 20.0 178.154922 34.0 178.485062 29.0 178.862656 26.0 183.352356 33.0 184.772949 19.0 185.477554 30.0 186.534088 21.0 187.195465 18.0 188.368637 19.0 188.394745 19.0 189.018158 29.0 189.997452 21.0 192.607422 22.0 195.047974 41.0 195.915771 20.0 197.953552 22.0 200.658234 19.0 204.281784 22.0 205.095154 17.0 206.349457 20.0 209.205627 114.0 210.222702 18.0 213.443344 18.0 213.560562 36.0 214.034775 18.0 216.238266 39.0 216.834122 18.0 217.041306 30.0 218.920502 18.0 220.268768 22.0 220.95076 29.0 223.929214 18.0 225.529266 19.0 235.636002 18.0 236.499084 23.0 236.662094 21.0 240.265228 17.0 243.116531 20.0 243.44603 17.0 248.864853 30.0 250.545898 23.0 251.70752 18.0 252.10437 18.0 254.252487 22.0 264.538757 18.0 268.998993 19.0 269.337036 18.0 271.340912 18.0 271.495453 22.0 272.959747 20.0 277.237061 20.0 277.597351 28.0 278.957214 20.0 282.595154 49.0 293.170746 21.0 293.914093 20.0 296.928925 19.0 299.873505 18.0 312.941162 20.0 314.129761 25.0 320.746948 22.0 321.425171 39.0 321.552338 17.0 323.102173 18.0 329.177704 22.0 329.947998 20.0 333.876038 19.0 334.262909 70.0 334.912964 34.0 336.497589 20.0 337.904419 19.0 347.204559 39.0 350.146149 38.0 350.46582 18.0 364.906036 20.0 367.583679 25.0 369.197632 52.0 373.030792 17.0 377.005219 33.0 379.021881 22.0 385.342407 19.0 400.139343 17.0 411.340057 18.0 412.087921 18.0 417.822937 23.0 418.164276 29.0 425.137054 18.0 431.117584 18.0 433.641846 19.0 450.31369 24.0 454.405365 17.0 463.537872 20.0 466.110077 22.0 468.084839 23.0 469.146332 22.0 489.951569 24.0 507.73526 28.0 520.208862 18.0 521.323975 72.0 529.834167 18.0 536.175293 18.0 538.157776 37.0 542.14093 18.0 546.508972 24.0 553.747742 24.0 578.164307 22.0 584.342896 18.0 585.322449 20.0 607.587646 24.0 612.511047 24.0 656.073486 18.0 665.213196 20.0 672.254578 21.0 676.877075 18.0 688.370178 27.0 717.41864 22.0 754.948669 21.0 756.986084 20.0 815.155029 19.0 863.325134 22.0 869.559082 19.0 890.855164 20.0 930.508179 18.0 949.307068 20.0 958.178528 18.0 988.39563 18.0 991.311462 17.0 1016.50238 18.0 1017.321716 18.0 1026.570435 18.0 1044.464966 18.0 1047.427856 17.0 1062.469482 18.0 1070.599609 18.0 1075.799561 18.0 1075.892212 18.0 1079.509644 18.0 1084.049805 24.0 1084.303101 20.0 1101.108765 28.0 1101.474731 21.0 1101.828247 23.0 1109.480591 26.0 1110.561646 20.0 1115.643433 22.0 1117.280396 25.0 1124.508789 25.0 1127.469604 18.0 1135.609619 19.0 1144.035034 22.0 1147.42395 19.999998 1162.599609 18.0 1167.998047 18.0 1171.039307 18.0 1171.481079 18.0 1172.498047 18.0 1180.828979 22.0 1182.582397 22.0 1187.99585 42.0 1191.101196 19.0 1196.487061 18.0 1197.757446 23.0 END IONS BEGIN IONS SCANS=397 PEPMASS=521.32732 CHARGE=0 COLLISION_ENERGY=0.0 50.2174 21.0 50.811707 18.0 50.997589 18.0 51.774853 18.0 52.125717 34.0 53.274376 17.0 54.110497 20.0 54.457806 19.0 54.554779 37.0 55.652199 21.0 56.365566 17.0 56.528461 20.0 56.643433 63.0 58.270374 18.0 58.778717 20.0 59.296665 29.0 59.512512 18.0 60.887886 17.0 61.537647 23.0 61.561321 18.0 61.845749 27.0 61.988041 18.0 62.163612 18.0 62.572731 19.0 63.04105 23.0 63.224213 24.0 63.545895 18.0 64.06665 22.0 64.596046 35.0 64.73024 20.0 64.863876 18.0 65.509659 18.0 65.6782 19.0 66.277779 40.0 66.350105 21.0 66.692604 24.0 67.544434 20.0 68.254166 23.0 68.384003 20.0 68.393036 33.0 68.84568 17.0 71.476105 31.0 72.127892 22.0 72.647743 18.0 73.467094 20.0 73.77092 21.0 73.846306 43.0 73.905006 18.0 74.302322 22.0 74.420731 59.0 74.458267 18.0 74.676468 20.0 74.920074 20.0 75.889053 20.0 76.239647 58.0 76.33606 17.0 76.519737 18.0 77.538734 24.0 77.825653 17.0 78.024498 21.0 79.135605 29.0 79.435326 20.0 80.946671 24.0 81.439316 37.0 83.351532 18.0 84.151764 23.0 85.34243 18.0 86.075203 28.0 86.312538 17.0 86.764534 20.0 87.570732 18.0 88.341263 25.0 88.792984 21.0 88.995575 20.0 89.016701 20.0 89.424828 29.0 91.257935 17.0 91.731239 18.0 92.138077 17.0 92.628662 27.0 92.908615 24.0 93.249008 85.0 93.610481 25.0 93.625908 40.0 94.570618 22.0 95.524162 28.0 95.748077 17.0 96.200607 18.0 97.092682 17.0 97.30529 18.0 99.045151 24.0 100.565598 22.0 101.123207 43.0 101.363609 17.0 101.793861 23.0 102.973892 18.0 103.26442 18.0 103.847527 20.0 104.700386 18.0 105.687218 18.0 106.59362 18.0 106.928253 17.0 107.282692 18.0 107.468658 18.0 108.346397 21.0 108.98951 18.0 109.072533 24.0 109.335274 20.0 110.375862 18.0 111.563721 30.0 112.564102 18.0 112.658417 18.0 112.84642 27.0 113.024002 18.0 113.069885 20.0 113.322502 58.0 114.604424 21.0 114.837486 19.0 114.865829 22.0 115.298927 47.0 117.289963 18.0 117.699944 24.0 118.181862 23.0 120.602951 20.0 121.810616 35.0 123.413177 21.0 124.803215 20.0 124.907585 28.0 126.68531 29.0 129.665283 39.0 129.956909 32.0 131.020905 29.0 131.082062 818.0 131.665497 24.0 131.952469 28.0 132.08403 18.0 132.213425 18.0 132.353302 20.0 134.304016 24.0 138.462906 22.0 138.781281 21.0 139.282135 17.0 139.296692 20.0 139.915375 18.0 140.011307 18.0 141.298798 22.0 142.205551 26.0 142.664658 18.0 142.956848 20.0 143.06218 18.0 145.126663 19.0 146.03743 22.0 146.966278 36.0 147.158646 20.0 148.001511 27.0 148.119598 21.0 150.805603 20.0 151.47261 18.0 151.580902 18.0 154.062866 93.0 154.624466 19.0 155.698364 23.0 156.078613 102.0 156.434448 18.0 157.793198 30.0 159.0298 18.0 160.899857 20.0 161.689163 21.0 161.983597 18.0 162.920364 22.0 167.529099 33.0 169.292374 62.0 171.350647 17.0 172.997437 18.0 173.103851 8620.169922 173.134491 34.185314 173.525635 20.0 173.737381 25.0 173.985077 18.0 174.107605 782.0 174.266388 17.0 174.803177 18.0 175.103958 44.0 175.72049 21.0 177.173965 21.0 182.530411 37.0 184.895569 21.0 187.169952 17.0 189.465775 19.0 190.14975 18.0 196.64238 18.0 196.971268 30.0 197.651184 18.0 201.01503 18.0 205.278519 17.0 206.015945 33.0 208.844833 17.0 210.860397 18.0 213.999191 18.0 214.138489 25.0 215.567612 25.0 217.823868 20.0 220.075226 20.0 220.626617 19.0 221.12178 20.0 226.339386 22.0 227.523849 34.0 233.403397 20.0 233.728363 22.0 241.896423 24.0 243.993698 19.0 244.245972 25.0 249.946899 18.0 250.306763 30.0 251.134964 22.0 251.496063 22.0 254.198471 17.0 256.220154 20.0 258.55835 26.0 259.621521 48.0 264.482239 17.0 267.806183 18.0 267.904266 18.0 268.81485 20.0 269.666016 24.0 269.954559 20.0 270.285034 30.0 273.329102 20.0 275.136139 22.0 280.945557 34.0 290.393494 21.0 292.670166 18.0 297.782715 28.0 298.924774 18.0 302.344513 39.0 306.158813 22.0 309.119659 28.0 311.356598 18.0 319.171631 18.0 325.185944 26.0 325.849182 20.0 327.676117 24.0 328.131897 18.0 329.935913 17.0 331.0495 31.0 341.094391 20.0 343.105316 41.0 345.981567 18.0 347.044983 52.0 347.216217 539.0 348.049316 18.0 348.17807 20.0 348.216797 186.0 349.220947 44.0 358.43869 17.0 365.46701 20.0 366.112579 18.0 366.199768 25.0 370.280396 18.0 371.861938 18.0 378.784668 20.0 380.964691 23.0 381.480042 34.0 383.113617 18.0 383.179626 30.0 392.0159 23.0 403.505035 25.0 410.209015 18.0 422.567322 24.0 425.945282 29.0 430.207397 19.0 434.684784 28.0 436.76886 27.0 447.882019 26.0 462.334808 20.0 463.747253 22.0 475.168915 23.0 480.256104 18.0 491.287292 23.0 497.204773 18.0 499.631104 17.0 502.279663 59.271973 521.326782 162.0 522.305603 20.0 522.335022 19.0 524.069031 18.0 534.974548 18.0 543.767822 19.0 544.317078 29.0 544.967834 21.0 557.308899 20.0 558.323181 22.0 559.279907 20.0 560.150513 21.0 572.423767 36.0 584.324219 43.0 612.337891 20.0 619.333069 18.0 629.182678 20.0 637.628235 27.0 653.107178 18.0 677.395386 18.0 695.441467 38.0 708.309387 18.0 743.384033 17.0 766.271362 20.0 807.21814 26.0 820.266846 51.0 839.340454 18.0 840.303223 25.0 926.308594 32.0 926.443481 29.0 930.33313 18.0 933.681519 26.0 945.438416 18.0 989.966064 20.0 1043.674072 26.0 1054.524536 17.0 1065.841064 18.0 1092.020996 19.0 1093.475342 22.0 1111.868408 18.0 1118.00708 20.0 1128.421509 22.0 1147.506104 20.0 1149.205566 18.0 1181.388672 22.0 1188.587891 44.0 1194.569702 17.0 END IONS BEGIN IONS SCANS=398 PEPMASS=173.10395 CHARGE=0 COLLISION_ENERGY=0.0 50.281609 18.0 50.449085 22.0 50.902603 20.0 50.918579 19.0 50.986439 30.0 51.959183 27.0 52.367378 22.0 53.007919 23.0 53.333675 24.0 53.530304 18.0 54.906765 20.0 55.074093 30.0 55.32563 18.0 55.927139 19.0 56.249435 17.0 57.988613 28.0 58.039524 21.0 58.416313 23.0 59.358662 19.0 61.500927 20.0 62.577305 35.0 63.531052 26.0 63.709389 20.0 64.422935 18.0 64.604744 22.0 64.774345 19.0 64.976082 18.0 65.038445 21.0 65.175735 20.0 65.464813 20.0 65.513275 17.0 65.741013 19.0 65.901451 22.0 66.011475 22.0 66.224419 24.0 67.02755 20.0 67.493423 18.0 67.611404 22.0 68.206833 18.0 68.310776 18.0 68.937798 18.0 69.163445 22.0 69.455528 21.0 69.702209 18.0 69.916298 22.0 70.283089 20.0 70.992546 18.0 71.490959 22.0 71.80397 26.0 71.831093 37.0 71.929703 19.0 72.604942 19.0 72.748093 20.0 72.895271 46.0 73.342094 17.0 73.846947 41.0 73.860977 18.0 74.661247 20.0 75.296928 32.0 77.012558 18.0 77.242828 17.0 78.504227 31.0 78.615028 24.0 79.926605 23.0 80.813538 27.0 81.047821 40.0 82.243103 27.0 85.07682 46.0 85.220428 20.0 85.370895 18.0 85.839699 51.0 86.040237 20.0 87.143845 20.0 87.239113 18.0 88.987289 18.0 89.472336 20.0 92.437752 20.0 93.461105 20.0 95.115639 22.0 95.213043 18.0 96.085655 17.0 97.030228 27.0 97.21978 22.0 99.912651 20.0 101.004364 18.0 101.265282 19.0 101.606697 20.0 102.654274 32.0 103.509689 18.0 104.215538 23.0 105.279747 22.0 105.372787 19.0 106.835602 20.0 108.054375 20.0 108.377434 21.0 108.393326 27.0 108.638802 17.0 108.763901 32.0 110.072868 20.0 110.159805 17.0 110.740532 18.0 111.778252 36.0 112.086014 115.0 113.071556 36.0 113.089127 27.0 113.320129 18.0 113.909271 18.0 114.055298 195.0 114.857964 18.0 114.99147 20.0 115.059715 18.0 116.902168 18.0 118.323318 17.0 119.941139 21.0 122.64418 26.0 123.289825 22.0 124.165207 30.0 124.634239 18.0 124.714394 28.0 124.899467 17.0 125.871399 26.0 126.36602 22.0 127.784409 17.0 128.695343 26.0 129.316422 19.0 129.388504 22.0 130.245499 18.0 130.807495 46.0 131.082245 13543.523438 131.186539 18.0 132.084702 909.820068 133.086746 116.0 133.773148 18.0 134.097839 27.0 134.945557 24.0 135.303207 20.0 138.009872 21.0 139.239273 18.0 139.814453 32.0 141.114136 18.0 142.637787 19.0 143.896362 52.0 144.151321 22.0 144.331726 18.0 146.332993 28.0 146.961594 18.0 147.848572 17.0 148.993607 26.0 149.282089 19.0 150.035019 24.0 150.419037 19.0 154.953018 18.0 156.077576 289.0 157.318771 29.0 158.911926 17.0 161.002823 18.0 161.026947 17.0 161.351273 22.0 163.313477 28.0 165.171097 18.0 167.410858 28.0 168.119568 18.0 170.007523 17.0 171.217407 27.0 172.603531 18.0 173.103668 1157.0 174.106461 81.0 174.428986 24.0 175.002594 29.0 175.038666 17.0 178.163177 19.0 180.184296 18.0 180.231537 18.0 180.90213 22.0 182.029312 18.0 183.257355 45.0 184.181412 23.0 185.745651 18.0 186.69194 18.0 188.478806 19.0 188.762756 26.0 189.739273 20.0 190.280991 31.0 191.382187 18.0 193.980759 20.0 195.781433 19.0 198.168915 28.0 199.367569 22.0 200.279419 18.0 201.289825 20.0 201.547684 17.0 208.935242 18.0 214.088669 18.0 214.109756 22.0 215.297394 18.0 215.464737 20.0 216.835602 19.999998 218.087036 25.0 218.760818 18.0 219.391785 22.0 220.38858 18.0 221.922562 26.0 222.208588 19.0 224.786667 19.0 228.097977 20.0 228.448227 18.0 231.555588 19.0 232.323471 29.0 236.098709 18.0 237.875015 20.0 238.306763 20.0 238.861572 24.0 239.008377 17.0 241.850983 21.0 245.882156 17.0 248.996704 28.0 253.070633 18.0 253.891724 18.0 263.911407 18.0 268.087616 20.0 269.064026 28.0 272.253784 20.0 274.442322 20.0 275.647491 17.0 280.632507 21.0 284.951782 27.0 286.699951 23.0 289.84787 27.0 305.769806 17.0 309.434204 20.0 312.308502 18.0 314.061951 17.0 319.976135 18.0 321.035858 20.0 322.218506 23.0 342.967896 25.0 347.199127 18.0 355.379303 18.0 369.195709 17.0 376.164948 22.0 377.00293 24.0 384.203522 20.0 387.820587 20.0 394.365845 36.0 397.659973 19.0 442.289642 22.0 468.693268 32.0 538.16571 29.0 539.899109 20.0 549.627869 31.0 563.17334 18.0 593.163269 22.0 622.205505 25.000002 783.151062 20.0 808.768005 18.0 900.46637 18.0 1077.421631 31.0 1094.387329 18.0 1157.122314 26.0 1185.965088 21.0 END IONS BEGIN IONS SCANS=399 PEPMASS=154.06168 CHARGE=0 COLLISION_ENERGY=0.0 50.999531 17.0 51.749882 25.0 51.987343 17.0 53.0504 18.0 53.857887 20.0 55.142712 19.0 57.089321 27.0 58.00135 18.0 58.925945 19.0 60.116379 24.0 62.576408 18.0 63.769951 17.0 63.911842 18.0 64.360764 79.0 64.915321 25.0 64.933197 18.0 66.034317 75.0 67.027946 94.0 68.076736 32.0 68.24939 20.0 68.492035 25.0 70.517128 18.0 72.007545 74.0 72.485382 17.0 73.204239 19.0 73.502312 19.0 74.022308 64.0 76.018654 18.0 76.434128 28.0 77.767281 19.0 77.83757 27.0 77.845177 18.0 78.342094 27.0 78.694466 17.0 78.962646 18.0 80.036613 309.0 80.821548 18.0 80.897408 20.0 81.044884 406.0 81.528786 22.0 81.768623 23.0 82.044563 18.0 83.081696 21.0 83.556572 18.0 84.29718 19.0 84.761391 24.0 84.990707 18.0 86.05864 26.0 86.385902 20.0 87.229164 26.0 87.281853 18.0 92.081039 19.0 93.045494 2742.0 93.74765 18.0 94.046394 125.294128 94.933151 17.0 95.074394 19.0 95.109016 19.0 98.010635 17.0 101.916389 18.0 103.187927 22.0 104.066429 18.0 106.446609 20.0 107.988495 22.0 108.056664 341.0 109.041733 252.0 109.065018 84.0 109.69207 23.0 110.071243 625.0 110.393425 18.0 111.074471 23.0 111.097176 29.0 114.310493 26.0 115.650604 44.0 117.010742 22.0 117.390999 26.0 117.681252 22.0 118.039543 87.0 119.034622 20.0 119.402061 21.0 121.798813 19.0 123.925957 23.0 125.09964 22.0 127.419991 20.0 127.533783 32.0 132.924667 20.0 135.842789 17.0 136.051605 464.0 137.035141 1604.0 137.063446 59.0 137.263977 20.0 137.308487 18.0 138.039474 165.0 142.451538 18.0 142.594193 18.0 142.621735 22.0 142.733078 18.0 144.628922 18.0 145.063217 27.0 145.874451 27.0 147.020096 25.0 151.994781 31.0 152.617264 18.0 152.817566 18.0 153.039047 30.0 154.061966 5682.0 155.063354 454.0 156.070648 19.0 157.225204 23.0 158.076782 20.0 161.275238 20.0 163.986633 18.0 170.462723 17.0 171.559662 18.0 176.257584 21.0 180.123779 77.0 181.984467 18.0 182.999374 29.0 183.575348 21.0 185.40712 23.0 185.577087 18.0 191.099182 18.0 193.613312 18.0 194.040558 21.0 196.54808 22.0 205.243149 22.0 217.051025 18.0 218.469421 18.0 224.171829 27.0 226.692017 20.0 235.455597 21.0 244.409744 20.0 244.465866 26.0 252.720154 18.0 255.884659 21.0 262.626556 35.0 283.918365 23.0 290.605255 21.0 306.009521 24.0 311.695618 17.0 312.026611 38.0 327.235962 20.0 338.082062 19.0 341.576233 18.0 342.4487 20.0 362.096832 22.0 365.741791 22.0 367.666595 18.0 370.715851 18.0 374.217651 29.0 377.68924 22.0 379.007599 18.0 388.866669 18.0 412.186523 18.0 414.759521 24.0 416.922546 18.0 422.512238 18.0 492.352936 18.0 514.58197 20.0 516.056885 28.0 532.256714 20.0 586.615295 22.0 589.395386 18.0 623.362976 17.0 1002.718506 52.0 1012.981567 18.0 1020.650452 19.0 1042.282104 17.0 1057.311523 18.0 1065.158325 19.0 1097.992432 18.0 1105.625854 19.0 1117.086304 20.0 1120.288818 18.0 1139.493408 20.0 1170.236816 26.0 1173.463135 25.0 END IONS BEGIN IONS SCANS=400 PEPMASS=145.09779 CHARGE=-1 COLLISION_ENERGY=0.0 51.276249 17.0 52.86285 18.0 53.628376 22.0 54.786827 18.0 54.88979 17.0 55.701435 36.0 55.810509 18.0 58.499752 21.0 59.481152 20.0 61.988091 25.0 62.263817 26.0 62.587391 37.0 63.444935 53.0 64.433601 22.0 69.550529 20.0 69.60981 19.0 70.420441 35.0 71.877296 20.0 71.975403 18.0 72.069565 23.0 73.842812 18.0 74.019966 21.0 79.705017 20.0 80.122017 17.0 80.744118 19.0 80.876427 23.0 84.04808 31.0 85.030067 38.0 85.835823 21.0 85.92881 18.0 86.792908 29.0 87.009552 20.0 87.616982 18.0 90.17627 20.0 96.621582 22.0 97.077248 188.0 98.081169 18.0 98.359673 17.0 98.464722 26.0 98.619705 18.0 99.083565 25.664328 99.093842 46.629932 99.215797 18.0 99.736168 18.0 99.809792 19.0 100.136368 20.0 101.246986 21.0 102.003746 18.0 102.057129 55.0 103.304123 24.0 106.398415 21.0 106.643867 28.0 107.05619 59.0 108.091042 18.0 109.637398 24.0 109.79155 21.0 110.125023 49.0 111.482819 25.0 111.946648 18.0 112.520325 28.0 113.733444 22.0 114.113487 22.0 115.28447 19.0 117.903748 18.0 119.89502 20.0 120.655571 23.0 120.765831 18.0 124.235359 24.0 124.921135 20.0 128.03508 38.0 128.076797 20.0 128.580963 19.0 128.64328 22.0 129.022903 18.0 138.191559 28.0 142.533554 27.0 143.180374 24.0 145.049469 20.0 145.097809 7191.700684 145.410629 19.0 145.463013 18.0 145.698212 19.0 146.099701 512.0 146.900955 18.0 147.025558 18.0 147.064545 20.0 147.094452 18.0 147.108749 28.0 148.319565 19.0 150.178116 41.0 155.569992 19.0 155.626038 34.0 161.998856 25.0 165.051712 20.0 166.282715 46.0 167.346756 22.0 168.889435 22.0 169.828812 22.0 172.149933 18.0 172.616501 43.0 173.301956 18.0 173.971085 18.0 178.236603 18.0 181.110565 18.0 187.159302 29.0 191.052414 17.0 192.135483 18.0 192.376038 20.0 195.053894 17.0 196.485397 20.0 198.059448 17.0 199.37027 19.0 204.885315 22.0 216.791992 18.0 219.490585 18.0 220.827515 18.0 221.146271 22.0 225.837296 18.0 226.796478 18.0 235.903671 18.0 238.388535 25.0 239.672836 28.0 244.158676 22.0 250.819641 39.0 255.01564 22.0 258.733185 18.0 267.280212 28.0 273.932037 18.0 276.347748 21.0 283.940918 20.0 296.328613 18.0 301.136749 18.0 303.40506 19.0 313.351135 23.0 324.977997 18.0 333.240662 39.0 344.020081 18.0 351.787842 18.0 353.066925 21.0 354.321899 18.0 362.643219 17.0 366.548859 37.0 389.067963 18.0 389.846069 27.0 407.756287 23.0 422.752869 22.0 429.299713 18.0 443.702301 18.0 451.332367 18.0 497.887207 19.0 574.229736 18.0 579.733093 39.0 586.236633 18.0 644.177551 18.0 697.080444 22.0 720.162598 18.0 733.101318 19.0 972.989746 22.0 1059.031128 18.0 1111.549805 20.0 1161.226074 18.0 1167.640991 30.0 1181.687622 18.0 1192.173706 17.0 END IONS BEGIN IONS SCANS=401 PEPMASS=195.05039 CHARGE=-1 COLLISION_ENERGY=0.0 50.113903 18.0 50.755795 20.0 51.264874 24.0 51.877277 18.0 53.098053 22.0 53.508305 37.0 53.754433 20.0 53.917843 18.0 55.018143 42.0 56.203205 20.0 56.921883 28.0 56.997475 43.0 57.03384 190.0 58.457867 18.0 59.012867 908.0 59.527409 36.0 59.688332 18.0 60.183731 17.0 61.017757 20.0 61.266506 18.0 62.998314 19.0 68.996765 18.0 69.033897 25.0 69.216957 17.0 70.036545 21.0 71.01342 754.0 71.434212 17.0 71.88118 37.0 72.015289 98.0 72.191315 19.0 72.655914 19.0 72.991722 163.0 73.012306 20.0 73.029602 50.0 73.443176 18.0 73.921898 17.0 74.025032 18.0 74.032608 18.0 75.008171 6763.745117 75.261864 20.0 75.772781 20.0 75.944748 28.0 75.957062 21.0 76.011513 73.0 76.062202 17.0 76.424988 17.0 76.471573 19.0 76.579041 21.0 76.740685 18.0 77.378036 25.0 78.578873 17.0 80.0662 25.0 82.812904 26.0 83.011482 45.0 83.0522 29.0 83.641685 17.0 83.969429 18.0 84.016121 25.0 84.218803 17.0 85.029396 1027.0 86.03167 73.0 86.23558 18.0 86.796188 18.0 87.008896 698.0 88.012733 37.0 89.023865 963.0 90.002739 20.0 90.025452 70.0 91.036018 18.0 91.63237 18.0 91.735893 17.0 92.542839 21.0 93.462273 31.0 94.532112 17.0 97.029022 57.0 97.770035 21.0 98.513603 25.0 99.008057 907.0 99.542671 24.0 100.010712 24.0 100.177803 18.0 100.290535 18.0 101.024391 352.0 101.069664 17.0 102.025536 45.0 102.811485 29.0 103.003456 55.0 103.032326 17.0 103.211243 27.0 104.009094 43.0 104.199562 20.0 106.741234 33.0 108.015762 20.0 108.668144 24.0 108.709068 18.0 108.933151 18.0 109.394859 18.0 110.44767 17.0 110.847771 21.0 111.008369 354.0 112.181648 19.0 113.025429 178.0 113.764137 29.0 114.347595 55.0 118.911736 18.0 118.923286 20.0 119.029411 19.0 119.530678 20.0 119.951622 19.0 120.379662 21.0 120.694832 18.0 121.373253 20.0 122.886185 18.0 123.005623 21.0 123.209129 18.0 129.018036 2799.0 129.426086 25.0 129.793427 37.0 129.957794 21.0 130.019974 95.0 131.030609 57.0 131.186157 18.0 132.312241 31.0 135.007797 23.0 136.01767 18.0 136.915588 17.0 137.664536 28.0 141.019958 674.0 141.144867 19.0 142.02562 51.0 143.417007 22.0 145.013123 22.0 145.245926 18.0 146.340393 21.0 150.064209 20.0 152.986679 18.0 154.062927 20.0 154.955368 23.0 159.028824 1338.0 161.032181 21.0 164.718155 57.0 165.041092 31.0 167.463058 25.0 167.747238 17.0 169.727295 22.0 172.499481 17.0 173.00383 18.0 173.108322 20.0 173.606613 29.0 173.905304 27.0 176.906067 21.0 177.038971 534.0 178.050064 35.0 178.071426 20.0 179.015244 20.0 180.99855 19.0 193.032928 25.0 193.337326 51.0 194.014389 20.0 194.078751 65.0 194.964752 28.0 195.05069 7238.964355 195.25267 18.0 195.675873 20.0 196.054581 577.628418 196.427124 21.0 196.847198 17.0 197.053177 115.0 201.40596 25.0 201.669296 20.0 202.143005 24.0 207.018784 20.0 208.800323 32.0 209.770004 35.0 213.09166 20.0 213.560577 24.0 220.899368 23.0 221.310394 23.0 222.899185 24.0 223.78421 23.0 225.209259 27.0 232.710938 39.0 236.14798 17.0 238.472031 18.0 239.699326 20.0 239.781036 38.0 243.964096 21.0 247.302414 25.0 253.127396 22.0 253.264221 18.0 255.037979 24.0 257.03598 25.0 257.79599 19.0 264.183655 20.0 264.28006 18.0 265.186157 17.0 267.55835 22.0 274.428497 18.0 279.011108 20.0 282.932098 18.0 285.452301 17.0 287.096008 21.0 293.689392 23.0 300.296082 25.0 303.628845 18.0 309.829681 18.0 313.181702 24.0 313.804382 19.0 317.97406 18.0 329.532104 19.0 331.198975 18.0 346.419617 20.0 346.753448 22.0 350.896118 18.0 368.331055 18.0 373.502258 17.0 374.470367 33.0 390.529297 18.0 408.779358 17.0 427.050812 31.0 438.125763 18.0 440.084137 17.0 457.291107 24.0 469.92981 24.0 475.157043 19.0 475.490845 18.0 480.694458 18.0 528.402039 18.0 532.2146 18.0 537.185913 19.0 556.193604 18.0 570.008667 19.0 593.149414 29.0 595.20459 18.0 624.182434 20.0 627.160645 20.0 641.027649 40.0 656.348511 20.0 716.130981 18.0 721.68103 18.0 769.015076 42.0 775.197693 17.0 844.484985 20.0 854.430969 41.0 870.258362 28.0 873.268433 22.0 898.868713 18.0 910.312256 19.0 958.713318 34.0 991.140198 22.0 999.390259 18.0 1000.304626 22.0 1024.334106 19.0 1025.401123 17.0 1061.365356 26.0 1081.203979 18.0 1089.669312 23.0 1092.218262 18.0 1099.197632 20.0 1116.245117 18.0 1130.254272 18.0 1140.824463 20.0 1148.539429 18.0 1156.165527 18.0 1190.17627 24.0 1197.049072 20.0 END IONS BEGIN IONS SCANS=402 PEPMASS=165.0398 CHARGE=0 COLLISION_ENERGY=0.0 52.324516 18.0 53.29752 21.0 53.376369 18.0 53.956429 20.0 54.167866 23.0 55.760319 18.0 56.493183 20.0 56.996803 18.0 57.033382 37.0 57.504631 27.0 57.88324 20.0 58.19939 22.0 59.013924 178.0 59.101646 21.0 60.014553 18.0 60.983791 22.0 61.725788 23.0 62.895603 17.0 64.875992 19.0 65.071144 20.0 66.14669 23.0 67.016136 18.0 67.763298 20.0 68.573914 20.0 71.013794 138.0 71.542816 18.0 71.822006 27.0 72.80793 18.0 72.993141 84.0 73.029037 17.0 73.851692 18.0 75.00853 2525.899414 75.159668 19.0 75.480797 18.0 75.773811 23.0 76.011818 128.0 76.147804 25.0 76.261032 18.0 77.010864 24.0 77.482574 20.0 78.956032 132.0 80.64048 20.0 81.373985 51.0 83.759163 18.0 85.028152 41.0 85.078606 25.0 85.674217 20.0 87.00914 203.0 87.652 22.0 89.022964 58.0 90.392632 20.0 90.794281 17.0 92.728798 23.0 92.761215 31.0 94.753433 22.0 98.689392 20.0 99.008507 299.523315 99.113373 20.0 99.479568 22.0 100.015747 18.0 101.026047 46.0 102.248817 18.0 107.380997 18.0 108.296478 18.0 109.463867 18.0 110.419907 20.0 110.998245 22.0 111.008881 20.0 111.699928 20.0 117.042366 22.0 118.033813 34.0 119.002045 26.0 119.040398 60.0 120.041382 24.0 121.030655 17.0 121.057823 19.0 121.989189 33.0 122.122353 24.0 124.728889 18.0 126.954399 18.0 129.020432 293.0 130.022202 17.0 132.101654 33.0 135.026886 24.0 145.097717 24.0 146.206619 20.0 147.028992 390.0 147.922058 35.0 148.611313 19.0 156.634201 17.0 156.826233 20.0 157.322067 32.0 161.818237 24.0 164.581207 18.0 164.890945 24.0 164.96373 42.0 165.040192 2420.82373 165.3564 18.0 165.653992 18.0 166.042877 105.0 167.047363 41.0 168.044846 18.0 168.994141 17.0 170.449356 27.0 172.849625 20.0 176.50853 17.0 177.676025 19.0 180.721207 36.0 185.125931 18.0 187.127213 37.0 193.035126 45.0 195.043167 40.0 201.400085 18.0 212.204697 20.0 214.100525 18.0 215.511673 24.0 223.24794 29.0 228.687927 30.000002 230.713226 18.0 232.046448 31.0 234.143509 23.0 234.759674 31.999998 236.019577 18.0 237.248932 18.0 237.792557 18.0 239.067581 20.0 242.764282 18.0 245.436523 20.0 249.457535 20.0 250.802338 17.0 251.154343 25.0 252.510147 19.0 253.051315 41.0 257.691315 18.0 263.414551 18.0 265.363281 30.0 278.005432 22.0 280.022522 24.0 281.280396 17.0 287.24884 32.0 292.607056 18.0 294.114655 22.0 297.250275 26.0 299.924225 23.0 300.018982 30.0 304.296478 20.0 306.478394 18.0 309.83905 20.0 317.326569 21.0 321.971039 17.0 333.089294 19.0 333.812469 20.0 349.812927 24.0 354.718292 18.0 357.112427 57.0 357.562897 29.0 363.346405 17.0 383.535156 19.0 386.541107 17.0 389.07666 18.0 391.124847 18.0 397.140289 22.0 434.357086 26.0 493.948151 24.0 497.599915 19.0 504.144684 20.0 507.571411 18.0 528.432129 37.0 550.888672 17.0 559.63208 23.0 679.782898 50.0 833.197144 22.0 913.865051 18.0 930.494202 26.0 937.356201 20.0 952.271118 19.0 974.333862 17.0 974.990967 26.0 981.066833 18.0 988.283569 30.0 1001.121155 18.0 1010.370056 24.0 1012.37854 29.999998 1019.24408 45.0 1058.983154 22.0 1063.059937 18.0 1065.389771 18.0 1070.184448 19.0 1075.999878 23.0 1081.24707 20.0 1085.41394 18.0 1087.536743 20.0 1092.205322 25.0 1097.443115 17.0 1129.932617 24.0 1135.078491 18.0 1160.008301 18.0 1168.274536 18.0 1170.420654 18.0 1177.201904 17.0 1197.390625 18.0 END IONS BEGIN IONS SCANS=403 PEPMASS=171.006 CHARGE=0 COLLISION_ENERGY=0.0 51.130505 19.0 51.996433 18.0 52.708344 57.0 52.914371 18.0 53.73016 19.0 55.302353 23.0 56.359879 27.0 58.530529 26.0 58.771603 24.0 59.722878 40.0 60.740715 18.0 62.229828 21.0 63.941097 23.0 65.864014 33.0 67.418816 34.0 67.465157 39.0 68.066467 42.0 68.387596 20.0 69.021942 23.0 71.296265 20.0 71.943039 34.0 72.388367 20.0 73.77459 18.0 76.23568 18.0 78.092796 17.0 78.930252 24.0 78.958458 6763.555664 78.994568 29.0 79.16114 18.0 79.557068 20.0 79.955612 18.0 80.595161 19.0 81.483994 20.0 81.516991 43.0 82.117645 26.0 82.245377 18.0 82.614265 28.0 82.772942 20.0 83.056618 17.0 83.355492 21.0 85.53363 23.0 85.553612 20.0 85.949463 27.0 85.986122 47.0 87.972145 17.0 88.47773 19.0 89.201118 28.0 90.029434 20.0 90.618347 20.0 91.303238 18.0 95.270226 18.0 95.442284 30.0 96.968529 730.0 99.254677 23.0 99.673981 20.0 101.409637 17.0 102.416534 34.0 102.504211 43.0 102.768539 26.0 103.640755 17.0 104.457275 23.0 105.612488 18.0 106.097336 22.0 109.237511 24.0 111.003128 40.0 111.676979 22.0 112.050591 18.0 113.07325 18.0 113.378586 17.0 114.065704 17.0 117.209183 25.0 117.487892 18.0 117.609612 20.0 118.851013 18.0 119.327995 19.0 119.707352 22.0 119.922157 29.0 124.16851 27.0 127.077499 36.0 129.938705 26.0 130.967056 20.0 131.082443 478.0 133.046082 19.0 134.079407 26.0 145.838379 17.0 147.639435 20.0 147.889999 23.0 148.213882 18.0 152.993729 60.0 153.899231 18.0 153.945312 32.0 153.993347 17.0 155.687439 18.0 156.072998 18.0 157.158508 44.0 157.346588 20.0 161.774567 23.0 161.828979 25.0 163.456619 29.0 164.949982 17.0 165.605988 19.0 168.178528 18.0 169.621796 17.0 171.006668 1495.0 171.064255 17.0 172.010391 63.0 173.007614 38.0 173.111404 54.0 174.60968 25.0 174.630249 20.0 175.304596 25.0 183.894348 17.0 188.916779 18.0 189.510803 18.0 190.48526 20.0 191.353073 30.0 193.601303 19.0 194.648636 20.0 204.981293 18.0 215.951355 20.0 217.102402 22.0 223.73494 18.0 231.746765 27.0 236.266953 21.0 244.538925 20.0 245.779541 18.0 247.980148 71.450417 248.690933 18.0 256.566376 19.0 269.618561 33.0 270.344452 28.0 272.811584 18.0 273.905518 20.0 278.616852 19.0 278.864746 17.0 283.168945 18.0 305.027283 18.0 308.43277 23.0 314.170135 18.0 319.157928 18.0 326.081177 73.0 330.854034 20.0 339.195099 19.0 343.028137 89.0 368.242981 18.0 394.070892 26.0 481.914581 24.0 484.371399 17.0 487.48819 20.0 506.142456 25.0 555.47052 23.0 558.058105 26.0 563.050659 19.0 597.435181 42.0 769.762695 18.0 798.631042 45.0 958.020569 18.0 1065.161621 20.0 1089.151001 22.0 1125.897949 20.0 1139.236694 17.0 1176.210815 20.0 END IONS BEGIN IONS SCANS=404 PEPMASS=171.00593 CHARGE=0 COLLISION_ENERGY=0.0 51.347725 50.0 53.810093 17.0 55.465286 19.0 58.115295 36.0 58.132748 20.0 61.988823 20.0 66.688911 18.0 67.549942 18.0 69.448883 17.0 70.277779 18.0 74.371078 19.0 75.615379 19.0 76.220566 20.0 76.844238 17.0 77.351051 17.0 77.717171 17.0 77.782372 26.0 78.198723 17.0 78.468216 20.0 78.666405 22.0 78.958626 5502.100098 79.024368 18.0 79.073074 17.0 79.972328 18.0 80.284286 18.0 80.962975 40.0 81.212326 26.0 81.935097 25.0 83.012039 20.0 83.051994 20.0 83.931076 165.0 83.951477 22.0 84.962242 20.0 85.029816 62.0 85.062859 22.0 85.948486 183.0 86.748978 18.0 86.955093 22.0 86.977371 72.0 88.038231 19.0 88.399376 47.0 88.95314 18.0 89.1716 30.0 89.366142 18.0 90.56324 20.0 91.177521 28.0 93.034431 20.0 93.068291 20.0 95.608437 18.0 96.96946 637.621704 97.931252 18.0 98.952499 20.0 99.926781 420.0 99.996399 20.0 100.056534 20.0 100.928703 22.0 100.941177 33.0 101.926224 20.0 101.941261 18.0 101.98188 19.0 102.025826 20.0 103.229538 19.0 106.419052 34.0 108.022896 28.0 108.892052 19.0 110.437141 20.0 112.87529 18.0 114.3349 18.0 114.415871 23.0 116.126183 18.0 118.959862 17.0 119.501831 17.0 119.755135 18.0 120.365753 20.0 120.425507 18.0 120.848495 32.0 121.622276 18.0 122.138512 23.0 124.1856 18.0 125.405472 18.0 125.499496 21.0 126.993416 23.0 127.076797 73.0 127.092461 20.0 127.918747 49.0 127.952629 18.0 128.048874 18.0 128.074951 23.0 128.601028 17.0 128.834854 20.0 128.878464 23.0 129.687531 18.0 129.875992 18.0 129.937759 52.0 130.11264 18.0 130.968369 85.0 131.081329 357.0 131.219955 41.0 131.972092 19.0 132.080978 40.0 134.85463 21.0 135.4888 26.0 135.604767 17.0 136.021088 18.0 136.111664 20.0 136.93602 98.0 137.404526 26.0 137.974991 18.0 138.030106 20.0 139.895828 51.0 139.956985 19.0 141.522324 28.0 144.031204 22.0 144.466049 21.0 144.760818 17.0 145.017578 18.0 145.447906 17.0 146.76329 27.0 146.808838 18.0 146.963303 17.0 149.388901 24.0 152.998093 18.0 154.102142 19.0 154.946579 57.0 160.278397 18.0 160.732132 49.0 161.039001 22.0 163.250671 27.0 164.370605 31.0 164.742279 19.0 164.882797 17.0 167.73616 18.0 169.955734 18.0 170.626007 20.0 170.961578 22.0 171.0056 860.554382 171.062546 44.0 171.099594 20.0 171.137238 20.0 171.911316 55.0 172.010239 17.0 172.924698 28.0 173.011032 18.0 173.057373 18.0 173.085434 32.0 174.224182 22.0 174.866959 47.0 177.501617 61.0 177.763916 34.0 179.472122 17.0 180.342194 19.0 180.570297 20.0 181.194687 25.0 182.260925 17.0 182.313568 34.0 183.014206 30.0 183.849258 20.0 186.075806 24.0 189.236679 23.0 195.048508 26.0 199.986649 21.0 203.92186 23.0 204.576721 18.0 205.034637 18.0 209.373459 26.0 211.406799 19.0 216.168243 25.0 216.602707 26.0 222.2724 26.0 222.317383 18.0 227.869431 18.0 228.174881 20.0 229.370148 19.0 229.928329 18.0 231.076508 20.0 232.114563 24.0 234.136032 19.0 234.684814 17.0 234.827759 20.0 237.638733 17.0 244.655289 18.0 244.83139 18.0 245.241913 20.0 246.047668 19.0 250.497955 35.0 253.250854 22.0 254.293869 22.0 258.595276 21.0 259.099518 17.0 259.921722 17.0 260.685394 18.0 262.09726 26.0 264.829895 18.0 269.364166 28.0 273.181793 18.0 273.69165 21.0 276.985565 22.0 280.027924 20.0 280.857269 19.0 281.540894 17.0 283.692261 24.0 285.35202 17.0 287.664032 17.0 287.852173 20.0 288.928284 18.0 289.365295 30.0 290.18927 18.0 291.713745 20.0 292.241394 18.0 294.57309 18.0 295.6586 18.0 299.056702 18.0 299.122681 18.0 307.405914 18.0 310.341827 28.0 310.914612 21.0 311.248016 32.0 313.81842 24.0 316.042542 29.000002 318.599274 18.0 325.011139 17.0 330.044281 19.0 330.985199 19.0 332.256622 18.0 334.06662 20.0 336.430603 21.0 337.129974 17.0 339.12381 17.0 342.470062 24.0 347.201904 34.0 349.599213 20.0 351.659058 17.0 357.96283 20.0 364.569885 28.0 366.426239 19.0 367.513855 20.0 369.18515 18.0 371.436676 19.0 380.912079 22.0 381.652466 18.0 390.998535 21.0 395.457458 18.0 404.491394 19.0 404.520752 33.0 405.250458 18.0 407.121826 18.0 412.243164 18.0 417.715149 18.0 429.390625 24.0 431.020996 18.0 433.749207 23.0 438.749481 17.0 441.132294 35.0 450.292999 18.0 459.702942 20.0 463.684601 18.0 474.321899 25.0 480.009094 18.0 481.197571 18.0 482.967285 18.0 491.575623 22.0 492.499146 20.0 497.07254 18.0 504.592346 30.0 511.551575 17.0 515.49762 22.0 515.869507 24.0 523.327515 22.0 524.05249 18.0 528.172424 18.0 537.649292 22.0 540.739075 24.0 547.606079 17.0 564.653259 28.0 567.111755 22.0 567.707214 17.0 569.464661 18.0 589.533325 22.0 606.761597 20.0 609.315674 18.0 617.024963 22.0 637.454529 19.0 642.566772 18.0 665.011292 28.0 668.673401 18.0 676.8396 19.0 688.064697 25.0 690.810913 20.0 724.010925 22.0 727.753601 17.0 731.258789 38.0 736.288086 21.0 743.443848 25.0 783.759338 19.0 829.598694 18.0 851.900024 18.0 852.545044 29.0 859.00531 18.0 881.374634 18.0 903.847534 18.0 927.949036 20.0 930.181946 18.0 930.955322 18.0 941.862549 17.0 968.550659 19.0 1020.317383 26.0 1036.04834 33.0 1057.153564 17.0 END IONS BEGIN IONS SCANS=405 PEPMASS=154.06167 CHARGE=0 COLLISION_ENERGY=0.0 51.948902 17.0 52.905464 18.0 53.455856 20.0 54.830734 25.0 55.618431 18.0 56.679996 24.0 57.762695 18.0 59.834671 20.0 62.378639 18.0 62.716946 18.0 63.315582 18.0 67.028519 107.0 67.042648 18.0 67.79718 18.0 68.413025 21.0 70.724091 37.0 71.039925 20.0 72.010201 152.0 72.366882 22.0 73.011467 18.0 73.914421 20.0 74.022758 71.0 74.766037 17.0 75.4804 27.0 77.048897 20.0 77.897896 23.0 78.429016 22.0 80.037865 239.0 81.045074 127.0 81.355125 17.0 81.445816 22.0 82.04512 53.0 83.155739 21.0 86.04348 21.0 86.102249 18.0 86.48085 28.0 87.201233 20.0 87.961716 17.0 88.875374 17.0 92.045364 18.0 93.045433 1138.904541 93.358177 19.0 93.487648 17.0 94.046402 75.0 94.205826 25.0 94.278915 20.0 94.956764 36.0 96.643478 20.0 97.281303 18.0 97.68103 18.0 98.192101 19.0 98.718811 17.0 100.33786 27.0 100.43824 25.0 101.538864 18.0 102.52948 26.0 103.348892 18.0 104.352547 18.0 107.578629 18.0 107.61718 31.0 108.059891 244.0 109.042915 128.157349 109.060379 48.0 110.072937 521.0 111.872658 22.0 112.630821 29.0 113.175858 19.0 113.369736 24.0 113.971298 20.0 116.669518 18.0 122.613754 18.0 125.975418 17.0 127.099228 19.0 129.370499 20.0 131.380264 20.0 131.982254 18.0 132.424484 21.0 136.049698 164.0 137.011902 18.0 137.035797 943.0 138.036346 55.0 139.040573 17.0 139.470276 37.0 140.021942 20.0 150.461975 17.0 152.519897 30.0 153.029099 17.0 154.062286 2497.75293 154.564743 18.0 155.065491 278.0 156.068909 51.0 158.705612 29.0 159.374435 19.0 159.879257 18.0 161.160507 26.0 165.982422 17.0 167.140991 27.0 168.949753 20.0 171.009064 22.0 172.962204 17.0 175.011841 18.0 175.882309 22.0 179.179092 32.0 180.711426 20.0 183.672104 20.0 193.108124 18.0 194.401718 20.0 196.426849 17.0 199.925934 18.0 201.914307 20.0 204.407074 18.0 206.303711 18.0 207.440704 18.0 208.457245 19.0 211.993317 18.0 212.407364 18.0 217.831573 17.0 218.890167 22.0 222.790176 23.0 225.120285 18.0 225.450729 18.0 229.888092 19.0 231.820969 20.0 234.20932 36.0 237.379059 18.0 239.900635 27.0 242.311615 17.0 248.002563 22.0 248.973907 20.0 250.461945 29.0 251.149719 31.0 255.358658 18.0 257.879578 23.0 261.201935 18.0 267.103271 19.0 270.790649 22.0 271.787354 20.0 273.685883 17.0 282.16037 17.0 291.391876 18.0 292.298126 19.0 303.881317 20.0 323.74176 17.0 330.97049 21.0 334.11676 21.0 342.811798 18.0 357.657654 17.0 365.644104 23.0 400.224426 26.0 404.609222 24.0 437.4953 36.0 472.914215 18.0 485.915741 18.0 496.642731 19.0 516.051392 24.0 549.78949 19.0 565.262817 18.0 601.722229 22.0 658.7724 22.0 784.362854 18.0 1008.053406 20.0 1017.011169 31.0 1096.218872 18.0 1108.343262 20.0 1108.682373 22.0 1121.154785 18.0 1150.697876 30.0 END IONS BEGIN IONS SCANS=406 PEPMASS=195.05045 CHARGE=0 COLLISION_ENERGY=0.0 51.514931 18.0 53.088264 18.0 55.211231 63.0 56.996304 26.0 57.00967 17.0 58.63512 18.0 59.013817 196.0 59.763935 40.0 60.276703 17.0 60.469482 18.0 62.095116 30.0 62.49873 20.0 62.725254 17.0 64.409401 42.0 67.13913 32.0 67.270103 18.0 67.830132 25.0 68.834099 23.0 70.258263 20.0 71.013741 112.0 71.818817 17.0 72.012703 17.0 72.24601 17.0 72.991829 78.0 73.015556 18.0 73.59594 25.0 73.691566 18.0 74.630768 20.0 75.007805 869.27533 75.951775 27.0 76.010284 43.0 77.013176 21.0 78.157486 18.0 78.957726 54.0 80.183357 18.0 82.31424 62.0 83.381355 17.0 85.009529 17.0 85.029457 186.0 85.322006 21.0 86.029007 55.0 86.754883 20.0 87.008041 129.0 87.045265 26.0 87.610191 37.0 87.75898 22.0 88.719368 19.0 88.887596 20.0 89.021667 86.0 90.299622 21.0 92.02977 24.0 93.042244 23.0 93.182121 29.0 96.071091 24.0 96.776146 18.0 96.964455 31.0 98.921265 41.0 99.007362 208.0 100.008263 21.0 100.640213 20.0 102.849052 24.0 103.338974 20.0 104.370003 17.0 105.007454 20.0 106.377548 18.0 107.01207 17.0 107.022903 22.0 107.898476 20.0 111.012901 18.0 112.295799 42.0 112.468475 20.0 112.864014 18.0 113.020706 22.0 114.025795 20.0 115.105492 29.0 115.554947 18.0 116.926933 21.0 117.010643 40.0 117.022118 37.0 118.515892 19.0 119.030991 18.0 123.084305 19.0 123.150375 37.0 124.624084 21.0 125.626091 27.0 126.617081 29.0 127.877747 18.0 128.603287 18.0 129.017914 414.0 130.015686 24.0 130.361847 20.0 132.875961 17.0 134.913559 35.0 135.007568 45.0 136.71254 28.0 137.014679 17.0 141.015961 74.827484 141.032272 22.978317 142.021774 38.0 142.217941 17.0 145.515945 22.0 146.755096 19.0 148.690506 20.0 148.718948 19.0 151.414352 22.0 152.58342 20.0 153.0327 21.0 155.379181 18.0 155.842514 27.0 156.671219 18.0 156.766357 46.0 158.432846 27.0 159.029892 318.0 159.894241 17.0 160.038544 45.0 161.172989 20.0 161.634979 20.0 161.888138 18.0 170.163406 47.0 174.809265 21.0 175.047943 17.0 176.029358 20.0 176.892731 37.0 177.034271 18.0 177.229752 17.0 177.960876 23.0 180.89769 18.0 181.280182 22.0 182.003647 53.0 183.741943 26.0 185.825867 18.0 185.881363 17.0 187.156845 21.0 195.049988 909.0 195.26767 18.0 196.055008 42.0 197.051376 42.0 197.11673 18.0 202.333145 17.0 203.367279 18.0 203.918655 22.0 207.605957 19.0 208.06694 23.0 209.224747 20.0 209.412292 22.0 210.274002 18.0 210.359879 18.0 214.883545 20.0 228.397537 18.0 240.361725 18.0 242.652344 17.0 253.055527 41.0 255.986725 20.0 257.113434 24.0 258.14267 40.0 261.965973 18.0 267.496521 17.0 269.588135 18.0 281.263397 21.0 282.732758 18.0 283.096619 21.0 287.91806 18.0 290.999481 21.0 295.062134 40.0 296.326538 22.0 298.934906 18.0 306.198669 18.0 311.164062 18.0 312.08429 18.0 312.19989 51.0 321.037598 17.0 328.175079 18.0 334.584839 22.0 337.39093 25.0 338.053528 18.0 338.603241 54.0 341.102295 18.0 352.176086 18.0 355.345276 26.0 355.906403 20.0 364.323883 18.0 371.966278 38.0 373.129242 18.0 382.161377 18.0 392.33432 18.0 410.99176 48.0 418.863708 30.0 423.371277 25.0 423.899536 25.0 429.741058 17.0 458.822144 25.0 462.948853 20.0 469.969421 20.0 483.750793 18.0 484.190674 24.0 510.121063 19.0 512.750488 26.0 539.782471 20.0 540.919983 20.0 575.826599 18.0 610.092407 26.0 700.294678 30.0 701.194702 22.0 736.148926 18.0 743.919678 20.0 768.249084 18.0 775.221863 18.0 782.07428 24.0 784.61908 25.0 827.266052 26.0 833.131348 21.0 856.128723 20.0 858.122437 17.0 867.040649 22.0 894.013428 18.0 909.516113 17.0 929.396545 22.0 956.667908 23.0 964.233887 23.0 974.376038 18.0 980.057312 17.0 993.452332 20.0 1003.153809 20.0 1006.233948 22.0 1006.331421 19.0 1034.633545 19.0 1040.515869 18.0 1045.377319 17.0 1047.346802 19.0 1048.447388 36.0 1056.331665 23.0 1077.273315 18.0 1086.598755 18.0 1098.251099 33.0 1101.089722 18.0 1101.225586 18.0 1110.122437 18.0 1117.813843 18.0 1119.150757 18.0 1119.394287 32.0 1135.422363 18.0 1137.008057 20.0 1152.197266 18.0 1158.546631 24.0 1169.017334 17.0 1173.462769 17.0 1174.765015 19.0 1181.245728 18.0 END IONS BEGIN IONS SCANS=407 PEPMASS=131.0821 CHARGE=0 COLLISION_ENERGY=0.0 50.124912 18.0 50.701008 35.0 51.895615 19.0 52.991096 18.0 53.358002 20.0 54.036148 24.0 54.3088 18.0 54.497738 18.0 56.026466 23.0 56.120396 21.0 60.36924 17.0 62.772335 27.0 63.277031 18.0 66.089828 21.0 66.651466 19.0 69.301941 32.0 70.001923 18.0 71.014366 152.0 71.665771 23.0 72.994164 18.0 73.294266 27.0 76.403854 22.0 78.816528 34.0 78.911484 18.0 82.031052 20.0 83.062416 80.0 83.824913 17.0 85.075783 40.0 86.515686 23.0 88.040039 23.0 90.498016 22.0 90.544418 22.0 92.400185 20.0 93.787041 19.0 95.059753 25.0 95.076378 26.0 98.111382 20.0 99.918381 19.0 102.992226 18.0 107.086349 20.0 107.306786 27.0 107.764259 18.0 109.188881 32.0 110.396019 24.0 110.6455 18.0 111.309891 37.0 111.752762 18.0 112.06794 20.0 112.27282 20.0 113.069931 20.0 114.056107 18.0 115.005653 38.0 115.532761 19.0 115.919914 21.0 116.325432 23.0 116.633301 22.0 116.8358 25.0 117.10022 24.0 117.804985 37.0 118.106743 18.0 121.088356 18.0 123.628807 20.0 126.893929 20.0 129.18309 47.0 130.622284 20.0 131.035339 25.0 131.082382 2888.44458 131.482742 19.0 132.029572 23.0 132.083923 226.0 133.012024 107.0 133.054169 96.0 135.936295 27.0 140.461761 18.0 141.038193 20.0 141.961868 20.0 142.135025 23.0 147.931 18.0 149.209702 18.0 150.30307 18.0 152.317947 28.0 153.63385 19.0 157.370941 21.0 161.062042 26.0 163.164642 17.0 165.848953 18.0 168.001938 32.0 168.916336 17.0 169.214142 21.0 170.974533 20.0 171.004135 77.0 172.011627 22.0 177.736771 18.0 182.38623 20.0 182.75029 35.0 184.590012 21.0 185.039505 22.0 185.468231 17.0 188.835831 18.0 194.674576 24.0 197.265442 18.0 201.435349 27.0 206.981903 18.0 209.593628 21.0 211.338959 17.0 215.166367 18.0 220.379944 24.0 222.799103 21.0 227.398544 18.0 228.531998 21.0 229.970062 18.0 236.953812 19.0 238.179016 25.0 240.276947 26.0 242.977493 24.0 245.809097 33.0 248.212921 24.0 252.698029 18.0 258.476929 59.0 262.578094 17.0 264.959961 24.0 271.661804 18.0 274.060089 19.0 277.642639 24.0 283.10144 35.0 291.008667 18.0 293.141388 19.0 294.999359 31.000002 296.522339 18.0 296.968231 25.0 298.206879 17.0 305.771393 18.0 305.90094 20.0 311.591614 24.0 328.664337 45.0 333.538452 21.0 346.809021 19.0 347.807648 22.0 348.35144 18.0 353.841461 18.0 354.667877 23.0 384.481354 31.0 395.349365 18.0 407.40033 19.0 452.162598 18.0 478.367462 18.0 498.614105 23.0 510.061554 20.0 513.527954 19.0 558.298706 24.0 600.971619 18.0 634.971436 26.0 863.731628 18.0 924.206238 30.0 1093.512573 18.0 1095.419678 18.0 1097.786133 18.0 1104.237793 17.0 1134.149048 18.0 END IONS BEGIN IONS SCANS=408 PEPMASS=333.05874 CHARGE=-1 COLLISION_ENERGY=0.0 51.254433 51.0 53.166153 27.0 55.201195 18.0 56.969898 19.0 59.364769 33.0 59.763687 26.0 59.793579 18.0 60.937267 24.0 61.013893 18.0 63.290482 18.0 65.961601 19.0 71.061211 24.0 72.066299 27.0 72.607422 27.0 77.250336 18.0 77.930405 19.0 78.958618 1934.0 79.580566 21.0 80.318825 20.0 80.403931 22.0 80.99218 20.0 84.338387 20.0 86.547188 18.0 86.849594 29.0 87.286354 23.0 87.675079 21.0 91.036148 28.0 94.427597 18.0 95.238304 19.0 96.51516 20.0 96.937157 18.0 96.970413 743.0 98.076401 17.0 98.401062 17.0 99.174049 17.0 99.880371 20.0 102.308609 25.0 110.518089 24.0 114.126602 18.0 115.709816 18.0 116.385635 17.0 117.018967 20.0 118.490585 27.0 122.798981 18.0 125.957809 18.0 126.52803 18.0 127.292038 21.0 131.822693 24.0 137.240891 19.0 141.471527 17.0 143.543198 24.0 145.102814 18.0 146.046722 22.0 146.968292 18.0 147.034149 20.0 147.880463 22.0 150.981659 62.0 152.098648 17.0 152.951813 32.0 152.99501 6813.050781 153.325867 27.0 153.689529 18.0 153.996597 342.0 154.022644 21.0 154.058319 61.0 154.996704 35.0 157.655945 18.0 158.989655 20.0 160.779297 22.0 164.240997 18.0 166.775131 18.0 167.309128 22.0 168.989868 17.0 171.006042 963.0 172.012344 20.0 172.115494 23.0 174.376114 18.0 176.37558 25.0 182.017639 19.0 183.367355 20.0 185.091019 42.0 185.349396 24.0 186.349838 22.0 188.619492 18.0 189.283081 25.0 189.96228 18.0 190.441696 20.0 193.277222 17.0 194.96347 19.0 195.201447 19.0 196.328171 38.0 196.864182 20.0 197.64447 18.0 201.007843 18.0 202.134048 18.0 207.234558 22.0 208.647614 20.0 209.457565 26.0 222.470383 20.0 222.998352 58.0 225.71405 20.0 226.108871 19.0 227.470428 26.0 228.299362 24.0 229.025818 20.0 229.92186 18.0 236.777542 20.0 237.47229 20.0 237.497284 23.0 237.588989 22.0 239.34227 18.0 240.126602 20.0 241.010666 4967.755859 241.052719 17.0 241.085403 27.0 241.106323 19.0 241.282257 33.0 242.016327 296.0 243.014069 95.0 243.913071 22.0 244.803452 20.0 246.997589 33.0 248.671371 17.0 249.244736 22.0 253.300568 43.0 253.393143 20.0 258.278809 18.0 258.984314 23.0 259.023285 390.0 260.026398 48.0 261.021332 18.0 271.209595 18.0 274.003265 18.0 277.32254 18.0 279.472321 21.0 288.713806 18.0 294.461853 42.0 295.846893 18.0 297.141632 28.0 299.177673 18.0 306.225464 19.0 314.175751 18.0 322.112518 31.0 322.289337 23.0 329.22168 18.0 330.167603 20.0 331.984009 23.0 332.940338 27.0 333.058472 10368.0 333.115814 18.0 333.691467 22.0 334.061646 772.0 334.195679 21.0 334.500458 18.0 335.062653 265.0 335.456238 30.0 336.453583 18.0 336.553864 17.0 348.86438 18.0 355.975464 18.0 362.115662 18.0 376.286285 18.0 376.507355 28.0 384.984833 21.0 395.86087 20.0 404.654419 21.0 409.514404 18.0 413.970795 41.0 414.439514 20.0 420.627655 18.0 423.312347 17.0 425.324799 18.0 430.933014 66.0 431.189362 20.0 437.981842 21.0 440.85144 20.0 442.037598 18.0 463.810547 18.0 465.715027 20.0 479.145569 18.0 481.7948 30.0 515.677551 31.0 529.791687 20.0 543.642822 18.0 543.689453 21.0 554.861511 17.0 566.078735 21.0 574.006042 23.0 592.022156 18.0 600.157104 18.0 623.161682 21.0 647.937195 17.0 917.849915 20.0 986.282471 44.0 1054.238281 30.0 1111.334106 18.0 1134.641479 28.0 1137.070923 24.0 1137.616821 21.0 1184.307373 18.0 1189.331421 18.0 END IONS BEGIN IONS SCANS=409 PEPMASS=158.97798 CHARGE=0 COLLISION_ENERGY=0.0 50.819969 18.0 53.272301 22.0 53.82127 38.0 55.111958 18.0 55.204769 28.0 57.293423 19.0 59.282291 19.0 61.34544 18.0 64.078842 17.0 65.80323 23.0 67.759895 21.0 69.713936 22.0 69.977348 17.0 70.961334 29.0 70.998405 1117.0 71.27494 22.0 71.761963 25.0 72.000198 207.0 72.772987 21.0 72.995094 145.0 73.728096 22.0 74.497223 19.0 74.826553 17.0 76.448929 17.0 76.851212 20.0 76.923561 20.0 77.148827 19.0 77.898651 18.0 78.734329 17.0 80.00309 20.0 80.195282 18.0 80.61834 18.0 81.30735 21.0 83.238228 21.0 84.639374 19.0 85.063896 17.0 86.993477 124.0 88.177963 18.0 91.831589 18.0 93.800491 40.0 93.836052 26.0 95.242996 18.0 95.724197 20.0 95.788383 31.0 96.022125 26.0 96.69381 22.0 96.814255 32.0 99.191307 22.0 102.53537 19.0 102.987305 18.0 103.746056 22.0 104.929581 25.0 105.624359 35.0 106.514549 18.0 107.226768 23.0 107.934662 17.0 110.161995 17.0 112.818413 24.0 113.096741 22.0 113.562927 22.0 114.362251 21.0 114.988441 2304.0 115.396492 34.0 115.965927 18.0 115.989517 569.0 116.704178 37.0 116.985909 459.0 117.046638 17.0 118.994781 21.0 119.667366 19.0 120.075233 18.0 120.340775 52.0 121.537506 26.0 122.555519 23.0 122.583977 33.0 128.539825 19.0 130.894272 33.0 130.978912 129.0 131.318039 18.0 131.981598 20.0 132.092636 18.0 132.300552 20.0 136.748276 22.0 137.385239 22.0 138.909836 20.0 140.805878 21.0 143.414764 18.0 143.890671 18.0 143.926544 21.0 144.130798 21.0 151.92778 20.0 153.944336 17.0 154.187973 19.0 155.261597 20.0 156.51236 18.0 157.177826 22.0 158.7043 25.0 158.803864 20.0 158.887939 19.0 158.980469 183.0 159.896072 18.0 159.953674 20.0 159.968903 19.0 160.895874 24.0 160.974762 46.0 161.026642 18.0 161.079132 22.0 161.895752 38.0 163.188858 29.0 163.306824 30.0 170.73674 17.0 172.166733 35.0 172.588913 18.0 177.967255 20.0 188.267639 31.0 192.455917 19.0 194.323593 18.0 200.505096 18.0 202.181015 55.0 203.447495 18.0 214.763779 18.0 219.660446 20.0 222.235077 18.0 222.838287 20.0 223.199158 20.0 223.661545 22.0 235.00061 34.0 235.364975 28.0 239.022614 33.0 240.565399 47.0 243.973419 26.0 245.306656 27.0 272.960449 18.0 273.964966 64.0 274.956268 28.0 279.805939 21.0 289.950562 38.0 290.952271 20.0 301.191895 18.0 315.050903 19.000002 328.547852 23.0 339.412109 21.0 405.183014 30.0 405.920349 19.0 424.229645 21.0 439.372833 24.0 451.810944 19.0 452.360382 25.0 501.521454 29.0 554.236633 39.0 556.883667 17.0 575.832458 22.0 716.133423 32.0 1009.986755 17.0 1011.763184 20.0 1105.780518 20.0 1192.858765 18.0 END IONS BEGIN IONS SCANS=410 PEPMASS=289.94838 CHARGE=0 COLLISION_ENERGY=0.0 50.028175 17.0 51.154293 18.0 51.777588 18.0 52.735607 21.0 53.302071 19.0 55.591499 20.0 57.187042 27.0 59.170292 20.0 59.33889 27.0 59.806931 43.0 60.78561 28.0 61.866299 28.0 61.987263 994.0 62.669952 18.0 63.216595 17.0 63.794376 22.0 65.758217 21.0 66.917206 18.0 68.770264 20.0 70.994888 40.0 71.075645 20.0 72.128464 30.0 72.820763 18.0 72.978783 20.0 73.483414 22.0 77.579941 21.0 78.878433 17.0 79.028175 21.0 83.253326 80.0 87.98954 39.0 88.931496 26.0 89.984726 18.0 90.127876 19.0 91.142761 17.0 91.853539 19.0 92.375679 26.0 97.787933 23.0 98.176086 24.0 100.872345 26.0 101.455696 36.0 101.949722 25.0 103.572006 22.0 106.209068 20.0 106.943703 18.0 111.023621 48.0 111.203186 19.0 113.286766 29.0 114.276306 19.0 114.988998 120.0 115.335693 27.0 115.533638 23.0 115.989754 36.0 116.981926 19.0 121.301277 18.0 122.11335 25.0 122.900391 28.0 127.954147 17.0 131.977844 1885.752808 132.086624 18.0 132.287521 25.0 132.323624 17.0 132.981461 370.0 133.227127 18.0 133.974991 317.0 134.901459 18.0 134.916672 18.0 135.911148 17.0 139.712814 19.0 142.693481 23.0 146.941544 19.0 147.970566 27.0 148.632782 20.0 149.905228 19.0 155.944763 18.0 158.213409 18.0 158.976913 84.0 159.534149 22.0 159.979584 22.0 160.067123 28.0 160.970642 21.340969 160.982132 54.727551 164.39566 18.0 164.71257 29.0 164.897141 20.0 172.711945 19.0 174.915161 19.0 174.947495 38.657082 174.964783 18.0 175.079025 18.0 175.172226 26.0 175.96814 3969.0 176.97049 753.0 177.199295 22.0 177.439301 17.0 177.966339 768.0 178.452728 47.0 178.907669 18.0 178.980392 22.0 179.972031 21.0 180.929382 18.0 181.722626 18.0 182.132462 23.0 186.491745 36.0 191.856918 18.0 195.350327 27.0 195.952957 26.0 198.041214 18.0 198.905838 19.0 198.975098 18.0 199.053528 19.0 200.929993 25.0 202.013458 18.0 203.068314 17.0 204.843307 30.0 204.960281 18.0 206.969818 27.0 208.552979 22.0 214.15593 42.0 215.86113 33.0 215.953949 28.0 216.103653 27.0 217.944824 28.0 218.522156 30.0 219.883682 18.0 221.149384 38.0 225.873993 38.0 226.880203 31.0 227.68187 27.0 235.924789 21.0 236.964432 22.0 237.034302 41.0 241.800919 22.0 242.921295 18.0 245.873184 19.0 245.95726 19.0 257.535492 33.0 261.183594 20.0 264.174896 18.0 264.929932 32.0 267.801422 28.0 271.911346 17.0 272.95166 78.0 273.949738 20.0 274.957123 35.0 284.59137 38.0 289.950745 321.0 290.951355 79.0 291.943054 127.0 292.939514 67.0 293.179932 28.0 294.466797 24.0 296.40329 31.0 305.908417 17.0 309.56723 26.0 324.114044 17.0 336.410614 28.0 380.224213 21.0 393.393524 22.0 400.473846 20.0 401.478485 30.0 403.917664 21.0 502.948517 22.0 503.186462 20.0 594.77594 18.0 623.596008 25.0 668.619995 18.0 674.254517 28.0 804.437439 24.0 1077.933838 18.0 1097.080688 18.0 1120.764038 19.0 1137.268799 25.0 1142.509033 19.0 END IONS BEGIN IONS SCANS=411 PEPMASS=272.9586 CHARGE=-1 COLLISION_ENERGY=0.0 50.234585 23.0 54.815861 20.0 57.196777 20.0 58.945274 27.0 59.118382 25.0 59.562508 26.0 60.314186 18.0 61.081535 22.0 61.454735 19.0 61.49403 32.0 61.634048 38.0 62.139797 18.0 63.491703 18.0 65.769958 32.0 65.887825 18.0 66.221901 24.0 67.447769 17.0 68.750809 18.0 68.760834 21.0 69.938133 58.0 70.280067 18.0 70.532684 62.0 70.998215 648.0 71.064362 24.0 71.119255 36.0 71.239548 18.0 71.799232 18.0 71.997993 38.0 72.995682 40.0 73.166908 37.0 74.870949 35.0 78.841599 20.0 79.637566 17.0 82.370079 20.0 82.735504 21.0 83.782707 21.0 84.238487 21.0 84.384056 22.0 84.566803 18.0 86.992752 55.0 87.991966 36.0 88.506264 18.0 89.360954 19.0 91.242203 18.0 91.291695 24.0 91.45253 19.0 93.615013 20.0 93.811478 17.0 93.898369 20.0 94.554497 18.0 96.957085 17.0 98.15419 19.0 98.345589 17.0 98.436302 24.0 98.731575 18.0 99.957794 23.0 100.365631 18.0 101.015266 23.0 101.799812 25.0 102.461609 37.0 103.97654 22.0 107.908401 20.0 109.013336 25.0 109.901993 58.0 111.347839 18.0 113.27375 29.0 113.313179 18.0 113.748268 18.0 114.475746 37.0 114.988708 6410.0 115.279747 17.0 115.946426 19.0 115.99041 572.0 116.208549 18.0 116.986221 781.0 117.340424 18.0 117.9869 66.0 119.405952 17.0 120.193253 22.0 120.609329 17.0 124.131004 23.0 125.523132 42.0 127.319679 19.0 127.796654 19.0 128.309708 20.0 130.984955 167.0 132.980011 41.0 134.306183 20.0 135.183838 24.0 136.658371 18.0 137.319427 31.0 137.857376 18.0 138.180756 31.0 138.970413 17.0 141.353165 21.0 141.923462 18.0 142.970535 21.0 143.967697 40.0 151.86467 22.0 152.1185 18.0 153.418808 18.0 153.889542 19.0 153.945618 17.0 154.968613 127.0 155.969009 117.0 157.397736 34.0 158.97876 6107.0 159.220535 18.0 159.724548 20.0 159.81311 18.0 159.979843 1162.512573 160.384247 17.0 160.403702 18.0 160.975327 767.0 161.397888 22.0 161.899185 32.0 161.977692 56.000004 165.227036 22.0 169.869858 20.0 170.749802 22.0 170.871216 31.0 173.969467 30.0 175.134109 20.0 180.33284 21.0 180.896683 24.0 180.979477 28.0 181.370621 20.0 182.88768 18.0 183.074371 25.0 184.871201 69.0 184.962524 21.0 185.883087 67.0 185.914871 39.0 186.919495 17.0 189.875153 26.0 192.078278 32.0 195.614685 19.0 197.880844 20.0 198.372925 18.0 198.88916 18.0 198.955536 78.0 199.891708 30.0 199.958282 98.0 200.964584 76.0 202.483841 20.0 206.978683 20.0 208.607864 22.0 211.862289 17.0 213.283875 22.0 215.382065 40.0 215.583099 22.0 216.9758 17.0 222.494263 18.0 224.626938 20.0 225.916672 18.0 226.914642 19.0 227.91861 18.0 228.971848 44.0 228.992172 17.0 229.875687 27.0 229.910095 25.0 229.96814 23.0 230.915924 30.0 230.972 22.0 231.144058 18.0 233.499527 17.0 237.923615 18.0 243.357498 26.0 258.018372 20.0 265.58255 36.0 268.978271 17.0 271.067749 18.0 272.959534 427.860413 273.955688 85.0 274.432312 26.0 274.898438 18.0 274.958618 123.0 275.957397 37.0 290.957031 28.0 292.93988 20.0 293.6539 23.0 297.393921 20.0 307.940216 18.0 320.896515 22.0 330.970337 18.0 342.122437 18.0 349.182068 19.0 354.232147 22.0 371.21814 26.0 386.933929 65.0 387.92746 20.0 402.912933 18.0 404.936127 20.0 414.708954 44.0 420.889923 20.0 422.611145 17.0 422.787537 20.0 427.75766 17.0 430.262329 32.0 457.019653 20.0 470.137207 37.0 471.453705 20.0 471.566162 22.0 479.96637 38.0 499.048737 113.0 572.876465 26.0 601.364624 18.0 673.808044 22.0 675.280579 20.0 684.331909 18.0 760.894226 23.0 779.563049 18.0 818.476196 23.0 885.264221 28.0 886.785156 18.0 974.905701 22.0 987.782715 18.0 1033.75 19.0 1058.630615 17.0 1060.092896 18.0 1131.825073 17.0 1132.786621 25.999998 1145.803101 18.0 1155.620728 18.0 1173.808716 18.0 1195.216187 20.0 END IONS nf_output/clustering/specs_ms.mgf0000644000000000000000000417342614767266351016327 0ustar rootrootBEGIN IONS FEATURE_ID=1 FEATURELIST_FEATURE_ID=Aligned feature list peak:1 MSLEVEL=2 RTINSECONDS=82.36 PEPMASS=93.03385 FEATURE_MS1_HEIGHT=7.424E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8:2"] SCANS=1 Num peaks=110 51.387058 21 52.349892 18 55.699173 18 56.37775 24 59.753124 20 60.264633 51 62.509357 20 63.68343 22 64.474983 18 64.686462 22 67.757301 21 68.03331 19 68.238464 18 68.833839 27 69.436569 17 72.711014 18 73.007233 22 75.363472 17 76.212593 18 76.851242 46 76.95015 25 81.447411 22 81.588585 25 82.240486 22 82.59037 34 85.44622 31 85.7313 32 87.029884 17 90.651711 18 92.191193 19 93.032036 86 94.035934 40 98.116074 20 101.037422 17 104.481018 18 107.192787 18 107.976997 22 110.190544 20 111.62896 18 112.984772 44 113.052773 42 114.124664 18 114.496239 20 121.320793 17 121.908226 21 124.733246 24 125.374153 20 126.249779 20 130.355057 17 133.351654 21 137.175186 24 137.238525 18 139.688919 21 140.4263 17 141.796097 20 151.746078 19 155.986084 18 157.603561 18 161.08139 21 164.08754 25 165.073059 18 166.249863 32 171.029373 20 178.809601 18 179.653061 20 179.981064 19 180.307053 35 191.999069 18 200.511337 20 201.444946 30 206.437637 20 207.046555 18 209.79483 18 211.309204 19 212.902893 19 221.067322 20 223.00119 23 225.20282 30 226.727493 17 228.9673 22 234.080429 22 240.994583 28 244.734299 18 248.217209 22 268.653992 18 269.510193 18 278.171295 19 298.092743 32 300.128998 18 301.908569 25 303.246216 18 313.208221 22 316.432129 22 324.288696 20 344.29599 17 366.56723 20 416.602356 17 419.964783 27 435.152588 20 450.478027 18 471.143585 17 480.475861 18 491.018219 21 798.969116 52 830.468628 27 1024.767578 25 1048.436646 22.000002 1057.593872 31 1114.887451 23 1155.464844 25 END IONS BEGIN IONS FEATURE_ID=2 FEATURELIST_FEATURE_ID=Aligned feature list peak:2 MSLEVEL=2 RTINSECONDS=83.36 PEPMASS=342.22828 CHARGE=-1 FEATURE_MS1_HEIGHT=1.008E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8:17"] SCANS=2 Num peaks=96 58.74844 18 68.089233 26 69.554611 17 70.027863 22 71.012314 188 76.667862 22 83.047531 21 84.834312 95 88.039612 1491 89.043945 66 96.992523 160 98.995621 17 99.041405 18 100.935593 23 100.976677 18 111.044441 20 112.82103 22 112.98571 17 114.016502 90 115.002876 796 115.987259 31 116.006409 17 116.930099 70 121.034714 33 122.337753 18 125.944237 40 132.031174 230 132.93074 20 138.220016 40 141.05542 20 148.797775 18 158.023453 20 167.035019 18 180.996597 20 187.062317 18 192.101807 22 193.09346 18 201.908081 17 205.006027 22 208.206131 22 209.070877 22 209.190674 18 213.07077 18 213.17337 20 216.123367 18 225.185074 20 225.220245 17 226.217026 3469.496582 227.203278 2066.104736 227.878586 18 228.205826 196 228.590317 40 229.210678 24 229.233337 18 230.209167 19 235.272491 28 252.232285 17 254.252335 45 254.790237 28.999998 264.062653 20 267.267456 18 279.207886 22 280.227997 108 281.233795 50 281.996704 20 284.104309 23 285.012512 20 293.752136 18 298.240204 1320 299.239838 343 300.240601 46 317.151703 25 318.786407 18 320.813599 28 324.21933 91 335.864502 23 340.33078 18 341.133789 18 341.201843 69 341.238922 18 342.18454 26 342.227966 3150 343.086823 18 343.180634 21.121687 343.232056 837.926453 344.010681 23 344.235901 59 419.574707 23 532.73999 17 536.569946 18 609.288452 18 625.804993 18 668.239441 19 697.835083 25 1072.343262 23 1183.629272 24 END IONS BEGIN IONS FEATURE_ID=3 FEATURELIST_FEATURE_ID=Aligned feature list peak:3 MSLEVEL=2 RTINSECONDS=85.54 PEPMASS=774.52796 CHARGE=-1 FEATURE_MS1_HEIGHT=5.864E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8:36"] SCANS=3 Num peaks=59 62.34417 31 73.992989 23 74.020599 18 103.262009 53 116.924095 18 121.617592 18 145.920624 35 168.032455 18 169.052032 18 195.753616 19 206.053772 33 224.069382 73 226.993973 36 227.197937 123 228.20816 33 253.216583 4185.262695 254.222794 575.7771 255.23175 524 279.23111 52 281.244843 98 282.259399 36 285.928955 17 344.031982 20 351.982391 17 389.202972 27 405.259735 20 423.28653 18 460.270569 42 461.292603 19 478.299805 163 479.299561 108 480.299896 39 480.331787 22 502.786957 22 567.036072 17 667.323914 19 669.455811 20 705.077881 20 714.507751 2667.330811 714.922546 17 715.080322 19 715.511597 829.257812 716.519165 1188 717.522888 466 718.523071 19 729.463867 21 749.533264 20 764.16272 17 774.528198 550 775.52594 273 776.547607 327 777.544495 99 818.559509 18 834.521912 26 873.469727 18 956.796753 19 990.396545 20 996.694336 18 1170.354492 22 END IONS BEGIN IONS FEATURE_ID=4 FEATURELIST_FEATURE_ID=Aligned feature list peak:4 MSLEVEL=2 RTINSECONDS=89.29 PEPMASS=414.12185 CHARGE=-1 FEATURE_MS1_HEIGHT=1.152E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8:52"] SCANS=4 Num peaks=166 57.985554 22 66.001396 23 84.939125 113 87.008232 18 88.038254 23 89.669998 18 98.937393 18 98.956528 18 99.894768 20 99.926758 314 100.933372 1132.971924 101.935402 119 102.934601 54 103.459389 18 105.324982 20 109.949844 30 110.932823 29 112.006836 41 114.934769 47 116.928001 6482 116.973747 18 117.03849 18 117.910217 19.7313 117.928001 469.268707 117.996338 18 118.400002 17 118.929588 276.003021 119.827576 18 119.933495 25 121.870811 18 121.927315 40 123.946716 41 124.931023 18 124.954514 24 125.944305 24 125.96595 258 126.949776 405 128.531357 18 128.951294 26 132.030914 20 141.054504 18 141.954041 41 144.439438 17 149.966446 25 150.972488 28 151.945694 36 152.949554 51 155.993301 18 156.939911 21 166.968918 17 168.948608 21 169.934311 19 169.956314 23 170.939087 398 170.955841 77 171.936752 35 172.943909 19 180.385818 18 180.978378 18 183.165115 25 184.86525 17 189.961838 24 196.93689 87 197.77211 17 198.183243 41 198.205933 18 199.849518 121 201.854813 20 203.104462 29 215.05098 18 217.067535 23 217.988739 20 222.184494 22 224.20372 75 225.202652 54 225.942871 26 231.012283 33 244.406387 48 253.133102 19 255.119766 46 262.129639 44 266.119537 60 267.103699 18 267.122223 17 268.198822 19 268.958008 18 269.991425 20 270.111237 20 270.1987 37 273.082306 42 274.074738 18 278.122742 18 280.076752 19 280.13562 18 282.113586 110 282.158478 18 283.112762 18 288.11203 17 289.109558 27 290.090607 24 290.119659 53 291.123749 79 296.133514 63 297.13855 37 304.174072 18 306.137238 21 308.131042 992.91626 309.133545 287 310.050598 17 310.130951 92 311.008972 18 312.167633 36 314.202728 77 315.358917 18 316.102142 112 317.098175 40 318.909149 27 323.118286 23 324.123047 114 326.014771 17 326.137299 86.717331 327.138641 81 328.144012 20 329.280548 18 332.123016 18 334.114655 44 335.117004 134 350.110565 19 351.11618 18 352.121979 644 353.129456 96 353.20224 24 354.12384 69 355.10614 55 355.129486 38 355.290161 25 367.553558 17 368.088898 60 368.121399 20 369.124298 75 369.163818 22 369.994049 17 370.130035 42 372.134308 20 383.70697 20 384.710297 39 385.701172 83 396.105042 19 397.120331 18 413.11853 50 413.209137 24 414.12384 1719.717651 415.123779 512.890686 415.172028 24 416.118164 173.591461 417.123322 41 417.211945 18 455.151855 39 584.324097 18 600.573425 21 610.052734 20 651.371216 20 672.598511 27 729.323853 21 1023.52771 18 1117.921265 37 END IONS BEGIN IONS FEATURE_ID=5 FEATURELIST_FEATURE_ID=Aligned feature list peak:5 MSLEVEL=2 RTINSECONDS=89.60 PEPMASS=314.19688 CHARGE=-1 FEATURE_MS1_HEIGHT=7.601E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8:47"] SCANS=5 Num peaks=171 53.000008 24 59.012886 43 69.555527 23 70.029312 117 70.498665 20 71.013634 998 71.030968 39 71.052071 28 72.005287 18 72.018471 39 72.520752 18 86.025375 24 86.784348 17 87.723122 18 87.777519 21 88.039673 12725.725586 88.227463 18 88.330933 18 88.584282 25 88.607445 25 88.928764 24 89.042641 835 89.173233 18 89.307121 18 90.042747 64 90.181084 27 90.590202 17 90.948792 21 95.576988 22 96.993111 1101 97.996628 17 98.992622 21 100.932823 124 101.067436 25 101.636711 17 112.98558 26 114.020203 964 114.079025 20 115.003098 5978 115.977211 19 116.0084 122 116.927895 100 117.006302 19 118.860725 19 119.048508 21 119.625343 17 127.723618 27 128.925995 18 132.029449 1652.415283 132.928864 17 133.034943 50 135.410034 18 149.368439 18 158.89386 19 160.935455 18 180.176056 130 180.942245 19 180.990555 27 181.161163 197 182.16507 23 183.170959 47 184.858795 18 184.991592 25 185.008835 17 192.185349 18 195.297104 20 196.043152 17 197.193481 89 197.227875 17 197.685684 18 198.185776 23118 198.245255 18 198.679245 21 199.033997 20 199.171524 13606.164062 199.225601 17 199.400482 19 199.624939 20 199.790009 18 199.810104 18 199.849136 189 199.975296 21 200.136078 17 200.175491 1565.107422 200.854431 43 200.960236 20 201.17009 36 201.816727 23 202.177536 126 202.301956 18 202.575851 18 202.84201 18 204.303589 18 205.298431 42 208.209015 37 210.041946 30 212.045227 18 214.863037 20 216.854309 18 224.201248 488 226.055588 21 226.219086 178 227.219666 56 229.162323 21 246.915604 17 252.196793 1396 253.199219 248 254.171158 37 254.198318 17 266.258392 18 268.958008 18 269.168884 17 270.206085 9754 270.295441 41 270.408203 21 270.5112 20 271.075409 18 271.209564 1765 271.32193 18 272.073273 18 272.216095 187 273.186676 38 281.784454 40 283.776855 128 284.781555 43 285.782166 45 289.116791 23 296.185364 756 296.317444 18 297.194885 53 297.77951 40 298.196503 59 298.715973 18 300.868927 18 309.569 18 311.356384 22 312.82901 18 313.166138 127.253296 313.500519 18 314.196075 16496 314.273956 72 314.369324 18 314.511017 17 314.601227 18 314.96698 17 315.079803 21 315.125824 20 315.200867 3627.868896 316.086426 17 316.138184 18 316.200745 533 316.35553 17 316.722565 20 316.782501 19 316.853943 20 317.203491 58 318.470459 19 320.466736 18 322.390442 18 324.209564 20 375.584961 18 398.57605 18 412.094299 22 415.128693 20 426.419373 18 528.47644 18 651.394104 23 931.727478 20 934.121033 21 1122.434204 18 1144.890259 17 END IONS BEGIN IONS FEATURE_ID=6 FEATURELIST_FEATURE_ID=Aligned feature list peak:6 MSLEVEL=2 RTINSECONDS=91.99 PEPMASS=201.07613 FEATURE_MS1_HEIGHT=8.975E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:68"] SCANS=6 Num peaks=85 58.002731 17 59.007225 20 62.695435 18 68.028336 20 69.033463 48 69.07238 137 70.422432 18 73.033577 52 74.023666 18 75.006599 59 76.014244 28 79.367531 28 83.013527 78 83.050331 27 83.932175 19 84.930481 18 85.028358 120 88.03727 66 93.37632 21 95.046265 22 97.068077 36 99.00956 56 99.078926 18 99.920776 18 99.932655 26 103.052284 24 112.015709 502 113.023788 581 113.061646 88.418861 114.026184 18 114.929619 20 114.947098 27 116.926796 57 118.927124 18 121.059662 18 125.061699 18 127.074081 170 128.082458 25 130.06604 29.999998 131.065033 18 133.044144 18 135.041779 38 139.078888 40 143.073532 84 144.070251 19 152.051086 17 153.054367 624 154.056442 128 155.034531 142 155.107529 39 156.412933 18 157.08754 27 157.120926 22 157.933502 18 158.093033 18 160.07196 23 161.031143 20 162.835068 37 163.77095 18 164.83432 59 165.051926 18 175.040161 22 181.052902 56 183.066895 65 198.136063 18 199.807755 38 199.850006 72 200.863495 17 200.994217 26 201.076035 5850.927246 201.250244 22 201.288681 18 201.470825 20 201.8013 18 201.849487 38 202.005707 20 202.0793 499 203.077759 26 203.127853 85 204.030212 18 204.094025 22 212.28212 30 221.180588 20 494.085754 18 1033.524048 19 END IONS BEGIN IONS FEATURE_ID=7 FEATURELIST_FEATURE_ID=Aligned feature list peak:7 MSLEVEL=2 RTINSECONDS=93.81 PEPMASS=217.10738 CHARGE=-1 FEATURE_MS1_HEIGHT=2.526E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:83"] SCANS=7 Num peaks=114 55.019745 33 59.013363 746 59.185642 17 59.25996 22 60.01796 18 61.023388 44 66.683739 17 72.047043 42 73.026985 20 74.025162 63 81.037079 59 81.549248 23 82.036873 19 83.049492 148 83.84626 20 84.051949 18 85.064606 47 87.032341 20 89.02108 18 96.036316 18 99.005768 36 99.920326 22 101.932487 18 101.946991 23 106.044281 33 109.066299 42 110.100121 39 111.08609 219 112.987091 56 113.097252 283.715302 114.099411 43 114.928551 21 115.003342 19 116.922188 119 117.039589 26 118.049927 24 118.92321 38 126.088371 18 126.944595 18 127.071571 18 128.107574 18 129.94397 18 130.023804 43 130.921326 20 131.033676 18 132.049286 28 132.924347 26 133.01358 70 137.09964 283 138.095001 41 139.075623 147 142.997772 18 143.067108 17 144.063324 29 145.049774 166 146.047531 19 152.889954 22 154.087204 20 154.121094 18 154.942841 22 155.107819 4146.937012 156.053818 46 156.111084 447 156.607956 23 157.086517 11623 157.132919 21 157.173309 37 157.513489 18 158.034149 23 158.090363 1184 158.118484 18 158.929657 19 159.058243 19 159.07756 18 159.095993 60 159.893997 17 160.350616 18 161.029037 20 171.101166 61.661888 172.099213 86 175.046646 53 177.004745 28 177.879166 18 179.457672 17 181.086899 72 183.854187 18 184.857864 24 185.857056 34 185.904617 19 186.113617 20 188.039291 20 189.055313 20 196.254944 17 199.096634 961.131409 199.6875 18 199.84845 121 200.102219 141 200.853088 18 205.121826 26 213.879333 18 216.126053 151 216.850204 19 217.107346 3387.510498 218.112015 548 218.156631 18 219.025223 20 219.088486 55.05159 219.111465 26 237.40329 23 258.828766 18 323.060028 26 599.286316 35 617.137512 17 909.429016 29.000002 END IONS BEGIN IONS FEATURE_ID=8 FEATURELIST_FEATURE_ID=Aligned feature list peak:8 MSLEVEL=2 RTINSECONDS=95.95 PEPMASS=93.04497 FEATURE_MS1_HEIGHT=5.829E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8:91"] SCANS=8 Num peaks=11 64.179321 22 67.964867 18 93.046333 149 251.193512 30 269.879517 39 377.128021 20 425.694489 18 793.527527 21 978.630188 18 1022.699341 21 1155.061157 39 END IONS BEGIN IONS FEATURE_ID=9 FEATURELIST_FEATURE_ID=Aligned feature list peak:9 MSLEVEL=2 RTINSECONDS=97.56 PEPMASS=272.14967 FEATURE_MS1_HEIGHT=6.744E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:116"] SCANS=9 Num peaks=129 54.029709 17 59.73645 26 72.501907 20 74.023888 163 77.059723 19 79.959221 91 83.011406 19 84.040794 56 85.048126 20 85.943718 23 88.042252 18 88.991188 21 94.225189 21 95.010269 18 96.959793 18 98.072083 18 99.925949 43 100.037445 39 100.57016 18 100.927963 21 101.042976 18 102.055634 1585.810303 102.377975 20 102.814659 20 102.925278 20 103.057465 40 104.038887 58.210396 109.055412 18 110.041428 30 113.098267 23 113.941605 17 116.576195 17 116.922165 20 119.086464 18 121.923401 17 122.975151 22 125.095963 79 125.86702 18 126.296524 19 128.034225 1891 129.038162 117 130.033127 62 131.052383 19 140.74408 22 141.088608 41 141.258087 17 142.098328 20 142.122269 275 143.052673 20 143.10817 1595.303345 143.383896 24 143.936066 17 144.108337 78 146.044907 313 147.047424 59 148.047943 23 153.053101 20 154.122223 20 155.087448 44 156.042328 18 157.941116 17 163.02887 21 165.020691 36 166.157776 20 169.546585 18 170.118546 27 172.132309 18 175.031937 20 180.02182 18 180.947723 21 181.944901 24 182.118561 93 182.931335 17 183.117111 17 183.138062 20 183.942062 51 184.131241 93 184.169983 613 185.132751 44 185.168777 189 186.142136 23 190.044037 20 191.091141 26 197.957672 22 198.110275 139 200.129852 97.865013 202.990997 20 204.037247 18 204.854126 30 209.118851 18 209.147018 18 210.007935 30 210.148544 303 210.398956 35 211.065903 22 211.143738 19 216.122818 116 217.131607 31 222.876251 29 227.045715 29 227.183441 19 228.119217 17 228.158859 467 229.161621 180 230.165405 17 231.047409 35 232.135635 29 237.10733 19 238.108231 24 244.119171 19 246.132462 39 247.132278 18 254.140564 394 254.990021 30 255.143951 44 271.08374 17 271.160828 33 272.150574 946.237244 273.063782 23 273.152893 238 273.465149 21 274.127106 190.485352 278.420288 18 401.555664 24 422.97937 21 450.984497 20 569.279602 22 591.920105 20 1099.804199 18 END IONS BEGIN IONS FEATURE_ID=10 FEATURELIST_FEATURE_ID=Aligned feature list peak:10 MSLEVEL=2 RTINSECONDS=99.84 PEPMASS=802.56038 CHARGE=-1 FEATURE_MS1_HEIGHT=9.607E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8:138"] SCANS=10 Num peaks=92 57.998756 31 72.995934 38 74.820656 24 75.009987 17 86.507248 20 90.031242 32 109.729439 18 116.926003 27 125.279289 18 133.462204 18 143.033249 19 157.015961 20 168.045593 64 185.656647 19 188.545151 17 201.843857 18 212.972626 20 221.932922 26 224.06929 84 251.44426 17 252.581863 22 253.215942 1872 254.219452 546 255.23291 236 256.234985 37 274.11792 17 279.236542 150 280.237152 55 281.248413 3891.800537 281.29248 24 282.252563 825 283.25058 93 311.166779 21 312.288788 18 343.099884 18 357.437073 18 381.224091 30 382.235016 20 383.075226 19 389.207672 18 390.207184 18 417.242767 90 436.256653 18 452.278412 25 460.102905 20 460.287262 70 461.285065 19 462.296387 18 478.289032 273 479.29306 100 480.313171 134 489.312805 25 491.300507 20 506.324371 38 671.456238 37 715.516357 17 716.51062 20 717.560181 23 732.499451 37 738.47821 19 741.532898 90 742.056335 18 742.53894 3909.849609 742.764099 18 743.143494 30 743.543823 1657 743.856506 21 744.551819 1370.597656 744.701355 22 745.55426 526.407959 746.551453 59 759.499451 17 768.892029 18 774.537903 34 775.527893 18 776.534119 60 802.560547 819 803.551208 344 804.576843 276 805.000488 18 805.57312 118 806.038818 18 807.247314 18 808.620544 22 856.549316 18 941.565186 18 942.620056 19 979.606201 23 1050.736572 26 1090.693726 18 1141.062988 23 1196.597656 17 END IONS BEGIN IONS FEATURE_ID=11 FEATURELIST_FEATURE_ID=Aligned feature list peak:11 MSLEVEL=2 RTINSECONDS=100.56 PEPMASS=178.05023 FEATURE_MS1_HEIGHT=5.291E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8:128"] SCANS=11 Num peaks=50 65.041435 30 77.038605 259 96.020363 18 102.031693 20 103.038322 18 104.017235 28 105.033981 18 105.052345 27 106.90387 18 107.141571 21 109.029152 18 110.998985 17 120.01825 22 120.902992 19 123.008041 41 124.072365 22 125.024475 20 132.044449 29 132.911423 21 132.93576 21 133.033112 30 134.061813 451 135.042831 52 135.062119 61 141.229446 18 150.020142 18 151.038315 20 156.144485 22 162.028168 17 174.383667 20 175.727036 19 177.019547 126 177.848434 20 178.016052 19 178.050323 765 178.979263 20 179.057159 53 179.105728 18 180.004318 21 180.070938 22 181.009262 18 181.05542 29 181.077682 23 181.789185 31 230.325699 18 359.123718 23 381.195221 19 554.266907 18 555.274658 34 605.963074 23 END IONS BEGIN IONS FEATURE_ID=12 FEATURELIST_FEATURE_ID=Aligned feature list peak:12 MSLEVEL=2 RTINSECONDS=102.16 PEPMASS=188.94898 FEATURE_MS1_HEIGHT=5.545E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8:113"] SCANS=12 Num peaks=83 59.010761 28 71.01226 21 83.931221 53 84.93766 235 85.030632 43 85.942421 21 86.031448 17 87.00721 50 87.611664 28 88.929001 18 89.020569 80 89.079155 18 91.057442 20 96.938774 21 98.017212 17 98.953552 112 99.924919 681 99.956017 22 100.933327 1046.235229 100.968292 63 101.920517 19 101.933609 52.057514 101.94442 85.94249 102.040794 19 102.231934 18 102.930336 37 102.947945 18 102.961327 17 109.060677 46 111.008766 284 112.933342 20 113.94342 20 114.947037 43 115.014618 28 115.952087 127 116.021111 47 116.900665 25 116.92804 6364.17627 117.801109 18 117.928856 836.345703 118.419495 19 118.539665 20 118.927284 217 119.929276 31 123.049133 22 124.938332 19 126.948311 695 127.951134 61 129.017334 19 129.945938 17 136.07576 19 140.928299 170 141.928497 17 142.380707 27 142.925705 17.817051 142.942764 82.182945 143.941971 31 144.927078 21 144.958221 136 145.953506 17 146.929977 18 158.930878 23 161.890152 24 166.056442 26 170.935013 77.636368 171.022186 27 171.944748 41 173.04039 19 174.861389 19 176.012833 22 188.044739 36 188.949356 517 189.951202 121 192.011566 60 192.039062 37 193.021362 45 193.050232 37 194.340912 17 228.740143 19 269.961914 18 367.009369 18 744.567749 18 1184.670898 23 END IONS BEGIN IONS FEATURE_ID=13 FEATURELIST_FEATURE_ID=Aligned feature list peak:13 MSLEVEL=2 RTINSECONDS=102.16 PEPMASS=204.12365 FEATURE_MS1_HEIGHT=1.164E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8:107"] SCANS=13 Num peaks=72 55.017956 19 58.027962 18 61.02914 20 70.377335 26 71.049896 727 72.045662 316 73.046097 18 73.880501 18 74.060768 392 85.064384 20 89.023079 22 92.999527 44 93.031746 21 98.057426 20 99.045296 311 100.586998 20 100.93399 18 101.061874 70 101.941864 21 102.055359 1357 103.060333 66 105.05452 17 108.077774 17 110.022614 27 111.00843 40 113.072433 21 113.946632 45 116.036942 25 116.980515 20 118.990509 42 123.046364 38 126.091324 103 127.09436 20 129.052658 17 134.469162 20 135.899719 21 136.06601 20 143.094574 24 144.923813 18 146.082642 57 156.100677 62 157.103439 20 158.067261 18 159.938202 20 160.892578 25 161.023453 29 164.038132 21 169.059555 21 171.949478 44 172.09581 59 172.948349 35 172.973373 31 174.112305 25 177.056183 18 189.047775 17 192.00589 35 202.994781 27 203.801193 18 204.124359 2300 205.126801 345 205.94426 21 206.01091 24 206.054626 31 206.128479 20 207.111176 49 208.06398 26 211.096054 18 212.107117 22 286.936951 27 470.056213 18 870.578003 26 1076.571411 23 END IONS BEGIN IONS FEATURE_ID=14 FEATURELIST_FEATURE_ID=Aligned feature list peak:14 MSLEVEL=2 RTINSECONDS=102.48 PEPMASS=293.1786 CHARGE=-1 FEATURE_MS1_HEIGHT=1.388E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8:136"] SCANS=14 Num peaks=79 59.628155 20 60.530285 28 79.958771 106 89.024689 31 89.409966 25 95.954269 49 96.87896 20 96.959717 6581 97.015541 18 97.362282 23 97.962288 76 98.610596 21 98.955544 203 99.884247 25 100.013931 23 113.063408 18 119.512199 20 137.053711 18 140.384888 22 153.055847 18 153.093079 22 165.096558 18 166.061127 28 173.0233 19 173.903976 17 175.039032 21 175.075638 17 177.085907 18 183.014252 64 184.019043 21 192.115356 48 193.055145 18 197.033066 36 206.936188 17 209.036499 23 211.041794 18 219.944427 18 220.150818 87 221.154282 349 222.159851 119 230.005081 25 235.104111 22 236.104416 287 237.10733 17 249.113754 18 251.165817 17 253.128403 25 261.983673 20 262.079163 18 274.985413 22 278.161102 21 281.021851 22 289.891083 18 292.188507 18 293.000458 18 293.179596 14536.854492 293.726562 17 293.981354 19 294.132111 62 294.182068 2780.939941 294.735168 17 295.133057 37 295.17688 859 295.38208 17 295.908783 23 296.179077 182 297.155426 410.851227 297.60199 18 299.689331 18 300.898071 20 347.720825 28 458.211151 18 489.987549 18 617.934448 17 637.469116 19 828.603088 20 1050.771606 27 1075.694336 18 1082.772339 18 END IONS BEGIN IONS FEATURE_ID=15 FEATURELIST_FEATURE_ID=Aligned feature list peak:15 MSLEVEL=2 RTINSECONDS=105.11 PEPMASS=776.5434 CHARGE=-1 FEATURE_MS1_HEIGHT=8.827E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8:127"] SCANS=15 Num peaks=58 70.968117 17 89.294548 24 91.089684 21 96.970535 19 100.528801 17 112.884438 23 168.043655 77 224.064713 21 224.914291 22 225.072205 24 227.200577 142 227.962418 18 252.601379 17 253.21756 2261.154541 254.221375 824 255.233917 864.845825 256.236481 93 256.292603 20 267.300079 28 281.247528 292 282.258698 54 293.177338 30 311.162354 18 349.93634 18 369.560852 17 390.212555 17 391.228363 21 415.763947 17 431.832764 18 452.271484 36 460.277313 39 461.284729 18 478.300446 62 479.145538 18 479.289948 52 480.309387 171 481.297913 18 481.324799 36.930767 482.302429 22 578.074646 20 585.736389 20 614.476379 21 639.249695 31 647.463745 17 679.147827 33 688.489075 18 707.371643 20 715.513245 520 716.521973 2437 717.525635 1226.245972 717.933655 18 718.532776 186 719.530579 97 733.264282 22 775.541016 109 776.545959 762 777.552612 326 778.563049 81 END IONS BEGIN IONS FEATURE_ID=16 FEATURELIST_FEATURE_ID=Aligned feature list peak:16 MSLEVEL=2 RTINSECONDS=105.63 PEPMASS=774.52887 CHARGE=-1 FEATURE_MS1_HEIGHT=1.34E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8:190"] SCANS=16 Num peaks=60 50.561012 18 60.919415 56 61.989246 22 67.448601 18 81.9953 29 84.375786 18 104.411835 20 114.506111 17 136.460892 24 145.923523 22 145.948624 37 161.902512 18 166.887619 23 168.041229 101 199.292282 18 223.956223 18 224.069672 154 225.18898 54 227.198898 52 227.216507 24 250.488647 18 253.216705 5796.523926 253.561386 18 254.221832 975 255.233521 732.108093 255.603302 19 257.571899 20 258.203674 19 259.113495 18 266.144989 23 279.2341 113 280.240173 18 281.246002 257 282.260803 68 343.951141 27 389.197723 21 391.40921 18 443.254333 20 453.295166 22 460.292603 18 462.286926 18 478.293091 362 479.293823 49 643.412781 26 704.956482 22 714.50708 4034.012207 715.508301 1359 716.518433 1924.07312 716.64679 17 717.520935 567.348083 721.871521 18 729.276184 68 774.529907 786 775.538208 271 776.542542 396 777.542969 192 788.640808 23 790.553894 18 792.528625 25 915.632446 31 END IONS BEGIN IONS FEATURE_ID=17 FEATURELIST_FEATURE_ID=Aligned feature list peak:17 MSLEVEL=2 RTINSECONDS=105.72 PEPMASS=309.17367 CHARGE=-1 FEATURE_MS1_HEIGHT=1.732E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8:156"] SCANS=17 Num peaks=85 53.782017 21 66.966316 26 72.909004 20 78.839859 18 79.95826 275 80.963997 18 81.955742 69 84.875145 29 89.025551 17 91.018318 20 94.978699 37 95.951981 92 96.892021 23 96.959732 5252.020508 97.024361 18 97.370277 17 97.438164 18 97.959244 100 98.955688 300.829132 115.006935 18 122.976051 317 123.902184 17 123.983658 18 124.974426 31 125.978455 22 130.051682 53 138.965317 35 149.079666 17 150.955109 24 153.994492 19 159.105438 18 162.899963 27 163.884445 18 169.564407 27 170.009048 21 174.985168 18 178.23439 33 181.082809 18 183.012085 670 183.175858 24 184.021103 95 185.008759 23 192.103333 20 193.047928 17 194.032684 24 197.019714 111 208.068375 18 212.048172 30 220.707748 20 223.054321 17 226.074554 24 238.047424 18 238.067871 17 248.219666 46 265.217529 18 268.170929 17 279.172821 19 292.001556 18 293.185822 40 304.476501 18 308.147064 23 308.490723 17 309.041199 18 309.173798 18982.033203 309.294983 17 309.609589 19 310.081818 23 310.1763 3618.32959 311.076508 18 311.169525 4251.429199 311.861725 18 312.17215 623 313.163574 72 314.196411 20 314.732422 37 314.888855 18 315.059906 23 513.30072 22 774.5177 36 776.539978 18 777.553894 19 801.543579 17 1018.535645 18 1148.643799 18 1195.807373 23 END IONS BEGIN IONS FEATURE_ID=18 FEATURELIST_FEATURE_ID=Aligned feature list peak:18 MSLEVEL=2 RTINSECONDS=107.92 PEPMASS=353.19948 CHARGE=-1 FEATURE_MS1_HEIGHT=1.028E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8:154"] SCANS=18 Num peaks=59 59.533817 20 68.255104 45 79.958771 104 81.951126 19 84.003258 19 94.977852 41 95.951279 25 96.959473 2190 97.960747 18 98.955971 151 99.039703 18 122.02475 65 122.973686 210 123.982155 80 125.064781 19 128.034805 25 128.574692 32 135.040298 22 140.979141 18 143.956528 25 148.926849 20 166.698669 22 167.08316 19 183.084167 19 183.142319 18 186.123749 26 192.119492 21 194.927444 25 211.026199 20 225.09166 18 235.197495 23 238.152237 18 245.082214 20 259.178162 20 261.880798 18 268.007843 40 275.078247 18 290.1474 17 299.676422 19 335.194916 19 337.20993 22 342.183105 23 349.069458 17 352.005676 20 353.146942 49 353.200287 12858.78125 353.361877 20 353.390991 31 353.473572 18 354.203491 2772 354.295197 24 355.147339 25 355.200165 1038 356.150513 19 356.205994 130.121414 356.647064 20 362.307953 21 457.716766 30 635.708557 23 END IONS BEGIN IONS FEATURE_ID=19 FEATURELIST_FEATURE_ID=Aligned feature list peak:19 MSLEVEL=2 RTINSECONDS=108.02 PEPMASS=202.10788 CHARGE=-1 FEATURE_MS1_HEIGHT=1.582E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:196"] SCANS=19 Num peaks=131 57.03474 30 59.014988 40 60.993805 59 64.187798 18 69.029831 22 72.045532 19 72.963501 18 74.003952 17 74.024147 2659 74.153885 18 74.891434 19 75.029381 56 75.286804 19 76.683929 17 77.032722 26 83.193375 38 84.008514 37 84.045013 59 87.006424 18 88.397316 20 89.023277 191.849808 90.022888 18 94.988831 27 95.050026 36 96.959732 29 97.064796 605 98.45739 20 99.042953 20 99.084229 43 99.923012 38 100.925568 18 104.034439 615 105.034508 86 110.095886 65 111.075333 22 113.012154 35 113.024368 38 113.096756 696 113.977402 18 114.092484 96 115.016487 20 115.076805 88 116.925285 109 116.948502 20 117.929855 37 126.091728 227 127.094437 26 127.960999 18 128.107864 883 129.050995 20 129.1073 95 130.11142 18 130.982224 18 139.111664 19 139.367111 18 140.107452 2153 140.190231 18 141.086105 64.477005 141.110306 258 142.111588 23 143.060837 20 145.015091 17 148.05365 17 150.021988 42 150.050629 27 154.086655 1514 155.088165 61 155.952927 36 156.947357 22.834612 156.960922 47.022949 157.97464 31 158.11467 25 159.052261 18 161.064789 20 170.540222 17 172.097641 2459 173.100479 328 173.142746 17 174.106262 67 175.171005 20 177.027206 19 183.100998 29 184.063004 18 185.080902 22 186.34642 27 187.034836 24 193.043152 21 200.856018 18 201.035126 23 201.077911 22 201.113113 17 202.108063 1497 203.008591 41 203.110809 85.114708 203.131134 36.274822 204.026459 18 204.115524 23 205.909988 18 207.610535 19 213.149979 30 241.06781 20 265.148254 151 266.159088 44 272.531891 18 305.037201 21 309.172424 77 311.170135 18 325.178711 18 326.180206 23 339.202972 18 340.21991 25 353.188477 36 354.19809 18 358.088806 20 397.2211 18 415.238647 20 428.222198 19 430.227844 19 613.321289 18 800.540405 18 805.357788 20 814.273071 18 841.123108 24 906.639893 23.999998 992.654602 18 1050.724121 18 1055.734741 20 1077.538086 18 1084.562622 26 1084.820068 20 1150.775757 18 END IONS BEGIN IONS FEATURE_ID=20 FEATURELIST_FEATURE_ID=Aligned feature list peak:20 MSLEVEL=2 RTINSECONDS=109.41 PEPMASS=397.22626 FEATURE_MS1_HEIGHT=5.848E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8:191"] SCANS=20 Num peaks=55 57.336315 18 58.284618 19 62.810207 40 79.956345 62 80.184494 19 96.959389 1033 97.960121 18 98.942596 18 98.957344 30.999998 102.337593 28 116.928032 18 122.976746 59 123.984589 19 128.042725 44 129.10498 21 148.117355 19 150.129196 18 155.141159 20 160.893814 20 163.892944 18 180.892578 20 187.740433 28 225.07048 23 241.195801 31 242.992722 19 265.153046 86 267.144806 42 299.060089 29 300.205933 40 306.946777 31 309.242615 18 314.027771 20 324.554565 38 335.116669 17 341.110931 18 353.342377 22 355.154144 22 362.949921 18 369.108002 20 391.455292 20 397.085724 21 397.111115 20 397.177063 19 397.225739 8041.790039 397.359375 17 398.115753 18 398.16684 17 398.228485 1892 399.003174 33 399.154633 18 399.226105 906.666443 400.22403 121 401.2117 20 407.340515 18 605.354309 22 END IONS BEGIN IONS FEATURE_ID=21 FEATURELIST_FEATURE_ID=Aligned feature list peak:21 MSLEVEL=2 RTINSECONDS=109.67 PEPMASS=171.06572 FEATURE_MS1_HEIGHT=1.244E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8:204"] SCANS=21 Num peaks=40 50.675457 28 73.025993 20 77.126129 18 83.120995 22 83.929565 59 84.926842 22 85.949509 37 87.003853 19 88.42527 20 111.082413 37 116.77034 20 125.352303 23 127.076256 7268.070312 127.686638 18 127.922844 19 128.078171 444 129.081909 18 130.349686 18 134.866501 71 136.863678 25 141.891739 27 142.8909 17 145.049988 25 168.617371 18 170.358383 37 171.066391 1565 171.943451 20 172.070221 101 173.067825 18 174.056656 18 191.018372 28 215.210938 17 328.022064 23 339.194916 17 674.992859 25 942.093567 20 1001.945007 17 1093.289795 22 1110.739746 23 1122.375244 35 END IONS BEGIN IONS FEATURE_ID=22 FEATURELIST_FEATURE_ID=Aligned feature list peak:22 MSLEVEL=2 RTINSECONDS=109.76 PEPMASS=127.07591 FEATURE_MS1_HEIGHT=7.968E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8:166"] SCANS=22 Num peaks=39 55.997494 18 68.965523 19 68.996361 18 91.35817 29 98.936432 29 127.076149 118 128.082657 18 131.025894 60 144.922852 20 163.018509 21 167.352127 20 172.069061 17 193.633881 17 235.816071 19 236.10228 18 265.156036 17 267.140869 24 297.523865 21 309.183807 18 310.186127 18 311.159607 23 312.1763 18 353.193115 18 397.0177 19 420.249298 20 424.197021 22 506.505432 19 590.195557 18 688.124146 22 705.421997 20 715.527039 25 742.520386 18 791.145752 21 791.509888 25 852.463501 23 951.511719 20 1025.746094 33 1034.765747 22 1154.651123 28 END IONS BEGIN IONS FEATURE_ID=23 FEATURELIST_FEATURE_ID=Aligned feature list peak:23 MSLEVEL=2 RTINSECONDS=110.77 PEPMASS=258.13404 FEATURE_MS1_HEIGHT=6.235E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:232"] SCANS=23 Num peaks=132 57.063984 22 59.011715 37 66.993851 21 69.032555 52 70.025055 24 71.012436 172 83.051865 18 84.049461 20 86.803635 17 87.008873 20 88.03907 1075 88.546577 18 89.021866 20 89.038376 59 96.007935 18 96.356689 18 96.993523 91 98.002373 18 99.087036 30 99.92968 20 101.023483 21 108.015213 19 108.056099 17 109.027008 21 111.04184 20 114.023048 174 115.002563 212 115.071953 22 116.024048 22 116.926018 22 117.390724 24 121.090851 18 123.080437 20 124.011795 21 124.050354 19 124.112701 18 125.110321 22 129.02475 25 131.021606 22 131.049835 50 132.028778 128 132.048798 19 133.922745 18 136.076279 28 137.045959 20 138.013702 39 139.89859 18 140.893158 18 141.019272 21 141.12944 23 142.122864 1765.674072 142.892685 18 143.105545 396.614288 143.130539 207.385712 143.897064 42 144.113983 38 144.140839 18 144.819031 22 145.029144 18 146.974045 18 147.068558 25 151.008331 25 151.075836 17 151.110382 21 153.054886 21 153.101974 25 156.076889 27 158.901093 33 159.893066 36 160.886169 52 161.048401 20 161.892593 22 162.023071 24 163.085297 18 166.120102 22 166.863266 19 168.140778 39 169.149734 41 170.931763 20 172.097427 32 172.930023 17 173.027039 44 177.087784 18 179.066589 17 183.065491 202 184.070267 27 184.857651 20 185.07579 18 187.890213 18 188.881546 22 191.993973 26 193.052032 45 196.142471 23 196.995209 22 197.153671 17 199.021896 23 201.831665 36 203.82756 37 206.834091 27 212.087601 18 213.109634 20 214.144775 684.976501 214.971619 18 215.147232 68 215.919479 36 217.914886 17 218.039734 17 219.035126 18 219.854279 20 221.82608 18 221.851379 17 222.652618 21 224.839508 32 227.056808 191 229.218475 18 231.480316 22 231.910477 52 239.132523 61 239.170609 45 241.120987 38 243.885544 27 246.019409 19 255.453033 23 257.152924 60.999996 258.13562 619 259.031189 27 259.096863 81.302559 259.135193 112.697441 260.062042 18 261.047729 21 352.715546 27 353.555725 24 END IONS BEGIN IONS FEATURE_ID=24 FEATURELIST_FEATURE_ID=Aligned feature list peak:24 MSLEVEL=2 RTINSECONDS=112.27 PEPMASS=316.21264 FEATURE_MS1_HEIGHT=6.581E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8:224"] SCANS=24 Num peaks=100 57.220852 18 57.385292 22 73.051758 22 74.02404 1371 74.498131 22 74.798553 18 75.02597 70 84.04541 18 85.707146 20 89.024269 18 95.106636 20 96.05201 18 97.062874 18 99.085739 25 111.08271 59 113.938629 40 117.000992 18 122.031776 32 123.284676 18 127.018875 20 130.09198 22 132.903595 19 138.020355 18 141.41507 18 142.123474 70 144.923737 18 145.103714 22 149.002167 23 155.947433 19 156.065872 257 156.895905 33 158.979202 26 159.883972 18 161.936874 18 162.843018 22 167.043518 18 168.106781 20 169.935944 31 170.118317 138 171.116196 18 179.122803 23 182.166458 21 184.136826 65 185.087982 18 185.116135 18 186.055771 18 196.173965 18 197.054184 17 198.153107 54 199.854187 38 203.831161 18 210.187149 68 213.072754 19 213.342209 20 216.855972 17 223.835007 18 225.991348 19 226.019684 22 226.171951 38 227.967575 22 229.106735 20 229.159714 80 236.200058 20 238.184113 18 245.980759 18 246.019089 43 246.187729 20 247.796265 27 252.191681 20 254.20546 20 256.120972 22 256.188385 17 256.924103 20 259.823669 33 270.071106 23 270.207947 98 271.215118 58 275.118225 18 283.793945 18 284.77063 22 301.765411 18 315.108704 48 315.141113 27 315.200958 280 316.213257 3207.600342 317.217499 549 318.219879 98 319.156891 28 319.203796 19 319.219086 46.375786 320.210052 19 351.156494 21 362.020691 18 441.25882 17 714.479248 22 895.624573 38 995.431458 18 1037.799805 22 1176.664062 20 1180.636597 21 END IONS BEGIN IONS FEATURE_ID=25 FEATURELIST_FEATURE_ID=Aligned feature list peak:25 MSLEVEL=2 RTINSECONDS=113.12 PEPMASS=89.02355 FEATURE_MS1_HEIGHT=6.134E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:245"] SCANS=25 Num peaks=47 58.108818 20 70.225571 39 87.010956 49 88.016693 20 89.023537 1833 89.177292 18 90.024406 37 91.026283 41 116.931381 57 118.954865 28 175.051941 23 181.700836 63 190.945358 17 191.013412 17 198.936981 17 242.098236 24 265.142517 18 269.072906 18 297.151489 22 311.161316 62 319.226196 18 325.178711 18 339.19751 139 342.199829 18 345.167786 18 353.251251 28 400.124329 18 409.374817 22 425.106659 20 434.155731 22 441.344574 18 487.283356 25 508.246826 43 552.342407 18 578.289795 19 670.297546 17 725.422119 20 738.311218 23 740.398315 19 778.432556 18 800.100647 18 820.47406 24 832.360962 28 859.513367 32 953.483887 18 1070.718628 18 1150.668945 18 END IONS BEGIN IONS FEATURE_ID=26 FEATURELIST_FEATURE_ID=Aligned feature list peak:26 MSLEVEL=2 RTINSECONDS=113.46 PEPMASS=244.11834 FEATURE_MS1_HEIGHT=7.524E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:255"] SCANS=26 Num peaks=169 59.013458 72 71.16671 17 74.024094 154 75.008209 20 83.92627 63 84.005989 17 84.048409 74 84.926811 20 85.02993 22 87.224167 18 87.559776 17 88.03894 21 89.02552 24 91.04789 18 91.118866 29 91.911552 17 98.024178 48 99.925461 1510 100.034492 19 100.076141 20 100.924889 140 101.926056 20 102.034576 23 102.056084 840 102.093231 18 102.54287 22 103.057671 36 105.00872 20 105.036263 17 109.94471 23 111.086266 20 111.960403 56 112.076042 49 112.13942 18 112.826385 18 112.963493 89.278961 114.09214 269 115.020088 56 115.076202 666.851379 116.034081 91 116.049423 59.945675 116.077919 35 116.778831 20 125.059608 21 126.082687 25 127.10833 23 127.958061 662 128.0345 1059 128.112869 22 128.959549 47.000004 130.070145 20 130.95932 17 132.69397 28 133.00383 26 133.104904 28 137.019501 44 137.065521 89 137.733749 22 137.941711 185.590607 138.940643 66.593018 138.951599 30 138.997406 18 139.11348 18 139.354645 18 139.947189 25 142.064987 35 146.043854 112 147.046616 20 148.055496 20 149.058517 48 151.076385 37 152.944244 18 153.941055 49 153.960693 18 154.125046 46 154.936234 18 155.951523 4049 156.100052 20 156.139999 444 156.952209 503 157.087082 21 157.145233 39 157.225433 27 157.454941 20 157.596405 17 157.952118 186 158.215561 20 159.095932 18 162.067078 18 164.107376 18 165.123703 20 167.998825 45 168.53923 18 169.001968 18 169.08342 18 169.418198 18 173.080246 18 173.958099 40 177.020676 22 181.055481 17 181.153336 18 181.96579 17 182.121506 139 196.092255 17 197.259109 18 199.974854 18 200.046097 27 200.128845 396 201.091202 21 201.136063 18 202.102371 17 203.083984 289 204.097794 22 208.82724 20 214.109924 191 215.040115 26 215.115158 52 225.019104 17 225.071808 18 225.95491 21 226.109924 237 226.954895 19 227.116837 58 242.971786 18 243.037643 18 243.106216 22.999998 243.192764 24 243.96373 289 244.120682 627 244.96051 18 245.091187 159.99823 245.120239 170.58226 245.148956 24.934532 246.127228 22 247.071442 18 247.172318 18 257.823944 20 262.42749 18 282.932831 20 295.34845 20 300.138763 33 309.161041 18 311.172974 59 312.17395 28 323.171356 25 339.200073 265 340.199097 74 341.193298 19 342.199829 18 369.228577 17 412.207245 18 437.220367 24 439.113647 18 469.133392 22 485.275085 18 503.177094 17 519.371826 18 529.311401 18 781.284607 21 797.547913 30 798.517761 18 809.575195 17 861.352722 21 880.504578 18 959.429932 24 1020.439148 40 1036.953491 18 1068.754028 24 1145.591919 28 END IONS BEGIN IONS FEATURE_ID=27 FEATURELIST_FEATURE_ID=Aligned feature list peak:27 MSLEVEL=2 RTINSECONDS=115.53 PEPMASS=194.08163 FEATURE_MS1_HEIGHT=9.702E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:265"] SCANS=27 Num peaks=60 58.030235 73 59.134804 21 71.01162 25 79.083702 18 82.034035 18 91.053001 55 92.041496 36 92.052094 44 93.031876 43 93.049057 18 95.022446 17 95.054138 21 96.017494 36 97.811615 17 103.17083 20 105.032394 39 107.050621 102 108.050369 49 109.031792 25 122.03772 995.60376 122.061142 20 123.044868 3371 124.017647 20 124.049576 327 124.987129 18 125.026474 18 125.171837 18 127.03479 18 130.987442 27 132.868591 32 133.056534 68 134.866333 39 135.00943 21 135.043274 257 143.895691 52 151.028854 26 151.057007 37 152.032227 20 152.071793 39 158.847748 20 160.842239 159 162.031219 20 162.84079 56 163.005219 18 175.038086 17 176.072708 57 182.058975 20 193.072006 17 194.048889 20 194.082092 2900 195.0858 300.296448 196.095871 23 196.136566 23 197.089005 17 197.801666 22 220.871979 17 235.265869 18 1047.397583 18 1059.388062 17 1189.776123 23 END IONS BEGIN IONS FEATURE_ID=28 FEATURELIST_FEATURE_ID=Aligned feature list peak:28 MSLEVEL=2 RTINSECONDS=116.51 PEPMASS=111.01944 FEATURE_MS1_HEIGHT=6.89E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8:217"] SCANS=28 Num peaks=21 50.118153 17 52.637676 18 58.193268 24 65.013924 20 68.014877 18 68.994652 121 76.675987 20 79.180046 18 85.542801 23 110.022446 21 111.019661 1834 111.52697 23 112.021149 123 113.028381 22 113.925179 41 118.067955 35 125.828178 18 142.405869 18 1127.849487 24 1133.016602 18 1175.79541 20 END IONS BEGIN IONS FEATURE_ID=29 FEATURELIST_FEATURE_ID=Aligned feature list peak:29 MSLEVEL=2 RTINSECONDS=116.65 PEPMASS=167.03441 CHARGE=-1 FEATURE_MS1_HEIGHT=4.477E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8:224"] SCANS=29 Num peaks=100 53.039547 18 63.281536 17 65.036873 18 65.044487 19 66.008598 20 67.018608 39 67.051521 42 67.920776 18 69.032822 47 71.62336 18 72.991463 18 77.0401 235 78.04319 56 79.95507 74 80.029045 18 81.033409 422 86.616882 22 91.017662 60 92.02562 18 93.03463 1580 93.778236 18 94.037964 280 95.01355 230 95.049049 676 95.115067 17 96.053696 53 105.034569 425 106.041451 20 107.992851 24 108.020889 1816 108.046227 29 108.263084 20 108.488266 22 108.644257 18 109.029091 1626 110.036186 37 119.250107 22 121.029335 3979 121.280029 18 122.036606 1498.60498 122.105896 22 122.356186 18 123.00647 56 123.044441 10386.94043 123.244156 30 124.016846 168 124.048607 1010 124.906937 19 125.021606 20 125.048973 76 125.098251 18 125.686523 18 125.957779 35 126.429581 18 126.700005 18 126.734215 20 126.991592 18 127.073799 21 129.291367 20 129.618698 20 132.869644 97 133.362732 19 134.865204 95 134.892365 22 136.014999 362 136.37468 18 137.024628 996.660583 138.02803 60 139.040192 367.158142 140.043503 48 147.274078 18 147.882584 21 149.024536 1265 150.026108 115 151.028595 28 152.039017 20 164.581299 19 164.911224 18 165.01973 131 166.030579 25 166.055435 30 166.630936 18 167.034531 9039.055664 167.064835 20 167.335205 18 167.836746 18 167.886337 22 168.03862 773 168.986603 18 169.016098 18 169.038193 92.216141 169.055359 18 171.068588 29 173.43927 19 193.594498 21 240.865051 20 314.014496 25 717.5625 46 1181.453735 31 1191.687378 18 END IONS BEGIN IONS FEATURE_ID=30 FEATURELIST_FEATURE_ID=Aligned feature list peak:30 MSLEVEL=2 RTINSECONDS=118.70 PEPMASS=216.12344 FEATURE_MS1_HEIGHT=8.059E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:289"] SCANS=30 Num peaks=76 57.033749 67 71.051262 104 72.043945 87 72.955307 20 74.024033 2224.998779 75.026543 20 76.029083 35 77.294563 18 83.049278 49 85.035622 25 86.060951 22 88.038589 26 89.02356 111 90.026627 20 91.05304 22 97.06797 27 99.042953 18 101.022736 18 101.062256 17 111.017822 23 111.081245 17 112.071449 18 115.022835 17 116.929276 81 117.015556 24 117.930115 26 119.027061 30 123.081238 23 125.097725 42 126.091232 27 126.93132 83.57933 126.946671 17.420671 127.03891 22 128.108429 314 128.962494 18 133.072983 47 135.078308 20 142.12355 64 143.950974 18 145.031937 19 146.083557 72 147.016479 20 151.074921 50 152.111801 17 153.092239 191 154.082458 23 154.0961 18 154.125305 38 154.93956 18 155.109268 21 155.942413 18 156.101822 135 157.113083 18 170.118851 202 170.938232 18 171.067169 18 171.103867 83.458549 171.122299 52.541447 172.133774 68 174.110641 20 197.07756 53 198.080505 18 199.848373 80 200.845917 18 201.846329 18 214.950348 18 215.045624 22.000002 215.062759 18 215.09433 115 216.086945 18 216.122589 1471 217.102356 55.95826 217.126114 112.04174 219.080734 23 220.100342 18 220.152939 18 END IONS BEGIN IONS FEATURE_ID=31 FEATURELIST_FEATURE_ID=Aligned feature list peak:31 MSLEVEL=2 RTINSECONDS=120.19 PEPMASS=216.94379 FEATURE_MS1_HEIGHT=1.097E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8:242"] SCANS=31 Num peaks=96 69.913307 19 71.01413 392.791077 71.049667 349 73.029976 231 74.032806 20 82.95829 35 83.930878 45 84.938019 91 85.936272 19 86.95536 24 88.040337 2451 88.068024 17 88.191948 18 89.043045 174 89.284935 21 97.591003 18 98.95385 37 99.006485 19 99.04361 308 99.925964 165 100.049362 26 100.93367 1274.499878 101.41153 24 101.922806 20.266197 101.934303 67.089767 102.934814 116 104.825455 20 108.077568 19 108.939728 42 110.954933 640 111.012802 32 111.95565 169 112.26165 18 112.315308 20 112.955101 97 113.518425 25 115.221718 20 116.040611 24 116.070717 257.953644 116.873703 18 116.900307 18 116.9282 4392.191406 117.018639 154 117.756996 19 117.929146 703 118.930817 195.528091 125.937347 18 126.949425 140 127.949989 40 128.001038 20 128.963821 155.932648 129.056274 47 129.964279 20 131.05658 44 135.011124 20 136.419678 18 137.966171 18 141.087891 18 142.938995 18 143.888489 18 143.94902 17 146.081451 2487 147.085236 223 152.948761 22 153.088272 18 154.944656 998 155.943878 192 156.950272 84 157.049454 21 157.819183 18 165.131195 24 170.936249 55 171.939026 19.041668 171.951401 39.723518 171.983795 18 172.952957 125 175.02681 20 175.078171 22 178.006668 26 191.035446 24 193.016953 20 198.936417 244 199.10144 25 199.848724 20 199.936615 17 205.127594 23 216.943558 314 217.944031 34 218.011856 24 218.103607 676 218.859421 35 218.94313 20 219.106049 59 220.150528 26 270.688538 39 292.198425 27 END IONS BEGIN IONS FEATURE_ID=32 FEATURELIST_FEATURE_ID=Aligned feature list peak:32 MSLEVEL=2 RTINSECONDS=120.25 PEPMASS=360.23881 FEATURE_MS1_HEIGHT=8.859E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8:293"] SCANS=32 Num peaks=74 57.034565 22 69.030525 18 72.048653 21 73.093575 18 74.023651 1837 75.025742 18 84.042923 20 99.081024 45 108.031563 20 111.084991 47 119.016762 19 123.080559 72 125.102272 20 125.937988 18 126.096786 18 129.08638 18 131.979004 18 137.088364 27 139.073563 19 139.111786 51 141.053345 27 143.052521 22 151.149307 17 152.153534 22 156.139542 85 159.098297 17 159.891602 84 161.896805 20 162.892517 20 177.035736 27 178.123215 20 184.133865 477 185.138794 108 194.114731 31 194.158676 19 201.13269 17 202.927231 18 208.173264 57.250923 214.144699 231 215.145874 20 218.095123 20 224.158035 38 227.181442 24 242.172928 23 243.106812 32 262.21521 18 265.142151 18 268.01889 40 269.904663 18 271.118469 20 278.203735 20 280.219849 24 290.104767 22 291.199188 20 296.222595 20 315.134796 21 316.246368 18 324.223694 17 336.01825 24 342.221649 27 343.972839 18 344.234436 20 358.227875 18 359.232452 18 360.063843 18 360.23938 7053.994141 361.03833 28 361.202545 44.378948 361.240753 1103.620972 362.242432 328 363.106293 18 363.24057 43 365.543945 17 665.409973 18 END IONS BEGIN IONS FEATURE_ID=33 FEATURELIST_FEATURE_ID=Aligned feature list peak:33 MSLEVEL=2 RTINSECONDS=120.35 PEPMASS=99.00803 FEATURE_MS1_HEIGHT=6.498E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8:244"] SCANS=33 Num peaks=20 83.932732 22 84.931152 19 99.005531 36 100.009712 32 100.924828 18 100.936172 18 101.933472 18 209.682343 19 325.176483 39 480.367523 22 730.576294 20 732.738159 26 742.539917 18 1041.680298 17 1043.762085 17 1045.742554 22 1068.706543 18 1087.657837 20 1171.744629 17 1183.810181 17 END IONS BEGIN IONS FEATURE_ID=34 FEATURELIST_FEATURE_ID=Aligned feature list peak:34 MSLEVEL=2 RTINSECONDS=120.47 PEPMASS=117.01877 CHARGE=-1 FEATURE_MS1_HEIGHT=7.246E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8:236"] SCANS=34 Num peaks=123 55.017033 36 56.023682 20 72.861794 20 73.028679 25461.794922 73.067337 18 73.141235 18 73.160156 62 73.269905 17 73.379936 22 73.423569 24 73.55069 21 73.565987 39 73.627525 18 73.722237 24 73.733269 18 73.755753 17 73.790649 18 74.032127 785 74.118042 23 75.034897 169 75.215813 18 75.973412 17 80.940163 17 99.008377 4126 99.221382 20 99.442444 22 99.925583 46 100.010925 284 100.783363 33 100.924728 24 101.015251 73 115.264595 21 115.325241 26 115.920288 98 116.817665 18 116.930771 163 116.988327 20 117.019035 23044.902344 117.067825 222 117.141075 25 117.173775 18 117.195213 20 117.261269 17 117.327042 18 117.419548 22 117.545578 18 117.78598 18 118.022575 821 118.143463 18 118.229683 18 118.337006 18 118.38279 20 118.701088 18 119.024879 262 119.631905 18 119.955643 21 120.026314 20 121.244148 22 121.697876 17 124.610497 24 153.786102 20 161.460251 23 197.944168 25 218.102997 86 266.149139 18 279.229889 84 281.240753 55 297.151855 23 305.204773 18 311.168304 278 312.177917 22 313.168182 41 325.184631 145 326.192322 65 327.187378 20 339.172455 18 339.20166 38 526.130188 30 546.285828 20 547.223389 18 663.29541 18 703.497192 22 714.502625 229 715.506409 142 716.520813 281 717.524902 65 718.553345 29 721.191345 18 728.518433 22 738.497986 35 740.511658 49 741.529663 56 742.539368 252 743.545471 68 744.547852 83 756.552917 17 757.536194 18 764.309326 26 779.453857 18 782.488403 19 787.341858 21 793.241333 17 818.46521 20 828.453125 18 881.520996 18 925.378662 18 929.494751 24 933.580261 18 935.633362 29 936.656677 22 943.319336 21 945.670715 17 960.648132 18 963.321228 20 988.617859 21 1028.689331 18 1030.707642 20 1036.344116 22 1045.4552 17 1056.717529 41 1127.627441 20 1141.716309 18 1181.670288 23 END IONS BEGIN IONS FEATURE_ID=35 FEATURELIST_FEATURE_ID=Aligned feature list peak:35 MSLEVEL=2 RTINSECONDS=120.50 PEPMASS=73.02859 FEATURE_MS1_HEIGHT=1.562E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8:219"] SCANS=35 Num peaks=217 51.444027 18 53.210129 17 56.056335 21 73.031113 58 84.747932 18 115.997398 23 117.019203 62 119.218109 18 133.922592 18 134.895828 21 154.42363 22 182.988144 25 205.010162 22 221.159363 38 253.219254 18 258.872498 24 265.162628 36 266.154907 65 266.322205 17 275.044739 27 279.115692 21 279.23053 71 281.249634 145 282.255432 23 283.101074 26 293.177551 35 295.134003 18 297.153625 108 299.132538 19 309.169861 18 310.182404 22 311.168823 612.216309 312.174896 94 313.170288 42 325.184479 884 326.189331 52 327.184448 39 339.196259 133 340.207306 22 353.205719 60 372.048676 19 417.204681 18 427.109039 22 438.088287 18 439.122284 18 457.056885 18 457.346069 21 460.287445 67 478.311371 41 497.078766 22 498.11908 39 513.298889 32 525.275452 31 533.99823 18 537.25885 22 551.206177 30 554.271973 21 583.210693 23 602.278748 19 607.154419 17 610.332703 17 614.451965 21 620.481262 17 630.223083 20.000002 631.196716 18 637.377869 19 648.27533 18 651.437012 18 661.20459 17 669.30658 23 671.065979 23 673.369019 20 675.351501 18 676.357849 31 687.383423 56 688.503418 29 689.502625 68 699.279785 18 702.530151 124 706.354614 24 708.758728 31 709.554626 17 712.308044 18 712.474365 19 712.992371 19 713.506958 19 714.510803 260 715.338257 18 715.509216 82.108055 716.523132 910.606812 717.530823 194 718.520935 70 718.823181 17 724.534485 26 728.521851 41 730.565491 131 731.546326 38 732.542053 18 740.529785 261 741.526489 137 742.539062 1481 742.709839 36 743.545349 649 743.878113 18 744.55188 199 745.361511 19 745.55188 20 746.294006 18 746.577271 40 748.283081 20 754.339661 20 755.241028 28 756.619751 62.253807 757.595154 30 758.589539 18 760.612854 17 762.445129 20 765.484802 17 766.544312 18 771.114685 21 774.545349 22 780.443176 18 784.431763 20 788.642944 19 802.540344 20 806.302917 18 811.761902 18 816.449646 30 817.449036 18 817.489868 18 820.573914 18 828.507568 36 833.408936 18 835.17865 18 836.461548 18 839.481934 27 842.470398 56 844.473694 35 846.587097 24 847.536072 18 853.106934 18 854.53186 20 858.393738 18 865.437073 17 866.477417 18 871.410461 18 875.4245 24 875.479736 19 879.471619 32 882.55188 22 883.546265 38 891.52832 18 895.447388 25 898.014038 20 900.547913 20 901.47168 24 902.434326 17 904.448181 18 905.535828 25 907.678162 26 913.656433 51 918.484375 27 921.547424 18 926.309387 18 927.483521 36 930.437073 22 932.625244 18 934.363892 17 935.64325 24 949.528503 18 954.228271 17 981.713013 20 994.430725 18 997.484131 20 998.730042 18 1001.973022 19 1003.090759 21 1008.682129 17 1010.687805 18 1015.649902 38 1029.655029 20 1035.711304 26.000002 1040.371948 30 1040.724731 37 1041.697388 25 1042.681396 20 1043.576416 18 1043.656494 18 1044.692261 22 1050.692993 17 1053.711914 18 1054.736206 97 1056.722168 41 1057.732178 38 1064.755371 17 1066.732666 41 1068.718506 36 1070.762573 42 1071.782959 22 1072.830688 18 1080.72937 18 1082.74939 25 1083.379883 18 1083.770874 36 1089.643555 19 1090.717529 18 1091.618042 17 1094.367554 18 1097.481812 18 1107.302368 20 1110.860718 17 1137.395752 32 1138.465332 18 1140.747192 18 1163.875977 20 1171.642334 23 1192.46521 23 END IONS BEGIN IONS FEATURE_ID=36 FEATURELIST_FEATURE_ID=Aligned feature list peak:36 MSLEVEL=2 RTINSECONDS=120.92 PEPMASS=530.27851 CHARGE=-1 FEATURE_MS1_HEIGHT=8.453E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8:247"] SCANS=36 Num peaks=52 87.387146 18 119.048286 43 119.236732 21 141.061737 17 151.015305 27 157.053314 20 158.900085 18 169.999176 55 183.012787 790.008545 184.015808 45 184.094925 20 185.009003 63 188.780869 18 198.035965 65 200.023666 18 201.93782 17 211.036896 21 211.61351 18 212.051926 17 240.084213 20 247.20517 22 254.100403 18 267.02774 18 282.0867 18 306.60675 69 310.150238 22 310.205475 18 310.292267 18 311.168488 21368.990234 311.670471 21 312.171814 4965.088867 312.345093 18 312.752838 17 313.168396 1353 313.296051 57.761162 314.168304 276 317.016144 18 320.352814 20 324.157776 18 326.189575 18 350.144348 18 381.28125 18 410.152008 24 447.896332 40 494.172882 26 529.245728 18 529.439575 21 530.206665 24 530.296997 19 531.262024 19 532.192139 22 741.461609 18 END IONS BEGIN IONS FEATURE_ID=37 FEATURELIST_FEATURE_ID=Aligned feature list peak:37 MSLEVEL=2 RTINSECONDS=121.13 PEPMASS=318.02786 FEATURE_MS1_HEIGHT=6.292E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8:247"] SCANS=37 Num peaks=166 61.987297 20 71.051971 73 72.0532 27 72.995819 20 79.956131 84 80.960587 18 84.9356 38 96.956924 39 97.943169 18 99.92585 106 100.933189 378 101.931526 61 107.954559 18 108.961792 20 109.946838 20 110.942841 18 110.969772 28 111.954262 57 114.054138 57 114.954887 32 115.057526 18 115.915192 17 116.074608 25 116.928635 2579.452637 117.245155 23 117.92981 186.697083 118.927589 70 120.555984 20 120.996971 159 125.925179 18 125.960503 95 126.949043 94 126.969414 20 127.943306 42 128.952713 21 134.073593 18 135.952164 18 137.926056 22 137.938614 41 137.968231 43 138.935074 20 138.953781 17 138.965698 20 139.94841 21 139.978409 50 141.953568 22 142.930527 18 144.034622 54 145.084824 18 146.085022 26 147.079941 22 147.982605 18 150.006256 22 151.945816 18 151.980347 37 152.948807 18 152.978989 18 153.004333 18 153.955017 73 154.980774 61 155.951294 148 157.117203 22 157.934555 24 158.937317 18 162.0056 25 163.976364 48 165.958817 65 165.998901 77 167.973907 18 167.998749 25 170.941437 109 170.964081 44 171.980774 18 172.081253 20 172.100937 74 172.955399 34 174.080582 19 177.951874 17 179.980942 21 180.948792 20 180.965363 25 180.993637 17 181.947617 78 181.99144 23 184.35997 18 184.984879 35 186.433289 27 186.973145 18 187.963684 115 188.969986 25 189.962784 30 191.994324 46 194.021774 21 195.023468 19 197.946808 22 198.935074 69.262367 198.948624 144.412796 199.169968 947 199.938461 87 200.166794 40 200.944687 18 201.089172 21 205.006332 23 205.991013 72 208.006866 302 208.170319 18 209.006714 63 209.982986 29 210.002335 34 210.960327 37 211.966553 94.691284 212.009979 188.942932 212.962372 60 213.957581 27 214.945877 18 216.089203 25 221.986862 22 223.966385 20 224.010452 19 224.986755 19 225.012314 19 225.946884 34 226.008392 19 227.082001 44 228.049805 21 229.156525 39 233.987488 123 234.984024 66 236.000443 219 236.478119 17 236.997116 98 237.050079 20 238.016998 529 239.015518 74 243.928696 18 251.996338 616 252.039917 18 252.996399 237 254.009323 149.450897 254.995514 25 256.032654 62 268.785461 18 273.149536 18 277.155945 19 279.1185 29 281.009094 17 282.007385 351 283.006653 72 284.012848 18 286.523987 18 291.076141 76.473259 300.020477 21 301.030182 24 304.955566 19 310.898376 18 314.54776 20 318.027863 1312 319.031952 232 319.230591 71 320.027985 171 321.137878 25.356857 321.176361 86.73597 322.00061 18 323.193054 18 325.178436 18 372.91745 26 END IONS BEGIN IONS FEATURE_ID=38 FEATURELIST_FEATURE_ID=Aligned feature list peak:38 MSLEVEL=2 RTINSECONDS=121.13 PEPMASS=437.21358 FEATURE_MS1_HEIGHT=8E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8:244"] SCANS=38 Num peaks=79 57.719372 18 71.013527 332 71.048599 189 72.015671 17 72.053551 27 87.007187 24 87.610802 18 88.040024 5637.084961 88.307922 22 88.504257 18 89.041176 176 90.045776 43 90.408798 24 99.041962 75 116.035423 20 116.069412 23 117.930351 18 129.051682 19 130.582825 18 143.964905 19 146.081741 4253 146.516312 18 147.085678 355 147.169312 18 148.089142 47 148.427811 20 148.966599 19 152.080338 18 153.610504 24 167.046951 18 174.028992 23 199.945999 39 200.095459 19 214.67395 21 214.846512 18 214.878754 18 214.89566 17 218.065765 17 218.103287 23191.355469 218.13826 31 218.172714 70 218.4505 17 218.486496 20 218.884583 22 218.994415 18 219.017471 23 219.106262 2818.218506 219.412445 20 219.970245 18 219.99614 18 220.109604 257 220.586655 18 221.042343 40 221.853851 18 223.957016 18 225.613602 18 242.96698 18 274.03006 21 300.013672 18 325.180237 24 331.235718 21 347.984344 28 355.089539 18 368.510376 22 374.249542 18 375.152618 18 380.106506 25 383.053894 26 391.220581 25 437.136078 37 437.263855 18 437.305847 19 438.18454 20 439.13446 47 439.278992 21 439.350891 20 441.248444 28 465.533325 18 1063.951416 38 END IONS BEGIN IONS FEATURE_ID=39 FEATURELIST_FEATURE_ID=Aligned feature list peak:39 MSLEVEL=2 RTINSECONDS=121.46 PEPMASS=218.10311 CHARGE=-1 FEATURE_MS1_HEIGHT=7.034E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8:276"] SCANS=39 Num peaks=158 59.010963 133 60.011223 18 71.013367 1649 71.04969 4030 71.23465 23 71.328751 18 71.364517 18 71.459694 18 72.01252 143 72.051559 305 72.264198 17 72.353012 21 73.015648 18 73.124596 18 74.02317 42 74.218796 19 82.956772 39 83.925186 21 84.938774 71 86.030052 18 86.578674 18 86.931755 21 88.039757 16422.646484 88.061424 17 88.127869 20 88.364059 18 88.399323 29 88.587685 17 88.864487 18 88.902763 21 88.930153 18 89.042938 658 89.094078 20 89.260567 18 90.042831 119 90.088219 17 96.436455 20 98.029007 62 98.060326 276 98.661728 18 99.011345 47 99.044601 2166.856445 99.065849 17 99.925957 87 100.046768 106 100.502594 24 100.934044 670 100.955414 20 101.049042 40 101.062157 60 101.080452 19 101.857956 18 101.931717 17 102.061981 30 102.929108 58 109.034454 40 110.953636 290 111.950935 64 112.951775 24 114.056656 18 115.015984 19 115.05648 22 116.034409 310 116.071602 1303.404785 116.895653 17 116.928131 2333.450439 117.016197 22 117.0364 18 117.071671 19 117.626801 18 117.928795 281 118.927719 133 119.910751 44 121.026367 19 126.947945 114 127.94162 20 127.9561 19 128.065201 51 128.559418 18 128.967239 148 129.05513 424 129.96611 18 130.058304 42 133.04538 18 137.027191 29 138.017853 18 138.449615 18 139.394165 30 142.089157 18 145.798584 18 146.081543 19037.910156 146.134781 18 146.48233 20 146.667099 20 147.084595 1411.464233 147.146484 19 148.087418 195 148.133377 18 148.310471 19 148.986649 44 149.028 25 149.097107 19 149.537201 25 149.673462 17 150.810974 20 151.024109 40 154.943619 536 155.943192 66 157.601456 20 157.624405 21 158.030289 28 159.088318 27 160.120575 18 160.547318 18 163.030273 20 164.813629 30 172.955307 18 175.078613 28 176.080444 18 177.021225 20 177.131271 17 185.417969 20 187.079651 18 193.01358 22 198.932571 115 199.935074 38 200.088135 48 204.744415 24 216.944183 191 217.94426 79 218.102081 7226.407715 218.48761 17 218.907486 26 219.032227 22 219.104721 684 219.688629 18 219.769791 18 219.91745 18 220.105804 61 220.303955 18 221.152542 31 222.112625 18 225.100647 20 269.118744 21 297.151337 28 312.17157 18 316.984253 20 325.180176 47 340.205902 18 373.039948 30 457.224274 18 689.478577 20 700.735291 22 714.472778 18 715.525085 21 741.544495 41 791.923889 18 935.612 20 END IONS BEGIN IONS FEATURE_ID=40 FEATURELIST_FEATURE_ID=Aligned feature list peak:40 MSLEVEL=2 RTINSECONDS=121.59 PEPMASS=88.03968 FEATURE_MS1_HEIGHT=6.935E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8:286"] SCANS=40 Num peaks=10 88.045219 27 89.022919 135 297.156464 18 714.506165 18 715.508423 17 716.534912 41 935.672607 21 1028.69043 24.000002 1033.702271 18 1055.738281 26 END IONS BEGIN IONS FEATURE_ID=41 FEATURELIST_FEATURE_ID=Aligned feature list peak:41 MSLEVEL=2 RTINSECONDS=122.63 PEPMASS=742.53879 CHARGE=-1 FEATURE_MS1_HEIGHT=3.711E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8:300"] SCANS=41 Num peaks=101 58.542057 18 78.959946 23 90.886002 18 96.967384 52 122.000977 25 140.011765 678 141.016144 55 152.9944 22 178.026489 52 196.038223 427 197.042511 18 198.047821 22 214.047897 26 228.640808 17 240.188034 20 253.214554 118 255.233734 69 277.210907 65 278.219666 19 279.232697 535 280.237183 261 281.248047 39281.613281 281.325043 326 281.43396 27 281.47287 18 281.542023 18 281.57019 40 281.603027 18 281.859131 20 282.196716 22 282.250854 9056.928711 282.360748 38 282.395721 23 282.4216 19 282.731659 20 282.976288 21 283.070831 18 283.214905 17 283.255402 1552.289551 283.586456 18 283.824341 19 284.245209 104.013496 284.270752 51.58992 284.729034 18 284.795654 18 284.884003 18 285.577911 20 287.358856 29 287.782837 24 290.129211 17 295.235168 18 298.428711 21 307.265594 117 308.253815 25 309.280884 182 310.286438 43 311.16037 21 312.173157 41 312.296722 18 314.86554 18 404.257324 19 417.240173 20 436.502991 19 460.281891 604.237122 461.284515 119 462.306427 80 477.286499 39 478.243988 22 478.295593 2004 479.293304 531 479.384033 20 480.307861 35 481.32312 35 507.343231 22 604.278931 25 641.398499 18 659.40625 30 714.515259 19 715.52063 20 716.52002 38 732.585632 17 732.666199 20 741.378052 22 741.530884 568 742.538635 20700.699219 743.054871 19 743.19165 24 743.343262 17 743.402405 17 743.54248 9761.360352 744.545227 2781.036621 745.396912 18 745.551208 518.418213 746.327759 18 746.570679 21 747.174927 20 748.377258 18 749.319519 18 763.477661 22 765.038269 18 780.135071 21 END IONS BEGIN IONS FEATURE_ID=42 FEATURELIST_FEATURE_ID=Aligned feature list peak:42 MSLEVEL=2 RTINSECONDS=124.05 PEPMASS=716.52275 CHARGE=-1 FEATURE_MS1_HEIGHT=7.451E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8:287"] SCANS=42 Num peaks=241 51.644894 24 56.440189 18 78.959061 86 84.775352 23 96.966003 110 119.319374 20 122.000778 90 139.955704 24 140.010742 1585.441895 141.01265 90 152.995026 52 162.980606 17 178.02681 120 184.986176 19 196.037949 1015 197.040482 77 198.043228 25 201.951447 18 204.398849 18 214.053192 192 227.203323 54 248.827744 17 251.455856 37 252.412872 18 252.628082 19 253.135956 18 253.217163 3304.292969 253.397812 18 253.609512 17 254.221069 1753.935791 254.577103 42 254.892532 20 255.082214 21 255.232697 19387 255.272049 26.749077 255.308136 54 255.578064 18 256.042938 17 256.065521 19 256.235596 4825 257.056549 18 257.238831 713.143372 257.27832 22 257.517731 20 257.924927 18 258.072296 18 258.245239 88 258.487854 17 258.84433 22 259.532135 20 259.777374 18 260.23703 18 260.343536 18 262.743561 21 275.121185 21 277.081299 17 277.182098 46 277.218689 20 278.122803 20 279.23288 5825.664551 280.23584 5168 280.275482 20 280.440277 18 281.007568 25 281.099915 18 281.183868 18 281.248627 53521.03125 281.325134 981.624573 281.432007 56 281.520599 18 281.594208 17 281.733459 22 281.906921 46 282.015625 25 282.251526 13458.064453 282.311707 20.621143 282.346313 18 282.390656 30 282.927948 18 283.257446 1736 283.313202 18 283.525269 18 283.603424 18 283.733582 22 284.175049 22 284.241089 28 284.265533 120.791878 285.271973 20 285.456604 18 285.523438 27 285.780548 20 286.169281 26 289.35907 18 289.498413 18 291.605591 26 291.726685 23 291.753448 18 293.363892 20 297.156219 18 298.14917 18 306.256165 31.000002 311.175079 18 325.182922 38 328.994385 18 330.985352 20 332.993073 21 339.188843 25 341.180328 18 363.559021 20 364.051971 21 378.242004 35 391.207581 17 391.238678 20 392.217834 20 398.242157 18 404.248566 108 432.251709 20 433.233368 41 434.265076 802 435.26828 358 436.280792 18 436.735229 22 442.060455 19 446.193756 18 446.561401 23 450.271088 77 451.26532 63 452.278717 4234.556641 452.378143 28 453.203918 18 453.28476 1425 454.289734 277.488831 455.275177 50 455.71579 20 457.227905 18 458.26825 55 459.26535 41 460.279541 431 461.281372 113 462.298248 52 463.29245 23 468.270813 25 472.360138 19 477.285339 141 478.290649 357 479.288788 61 480.309998 71 481.325012 21 482.319122 22 487.290527 17 512.292786 22 527.682007 18 595.754456 21 611.435608 20 619.198059 18 661.451111 17 662.4776 22 673.490662 35 686.475159 154 687.472839 41 688.48999 1080 689.49585 848 690.492126 162 691.487427 67 696.813049 19 699.499939 18 700.508484 27 701.30304 17 702.518982 60 705.778809 18 705.863464 18 705.974915 39 706.2146 17 706.981934 51 708.025513 20 712.490479 156 713.487 85 714.50769 1422 714.667053 18 715.332764 18 715.511719 8769.953125 715.669739 18 715.925659 18 716.304688 18 716.398682 62 716.523193 36492.617188 716.641174 106.665344 716.763977 22 716.835388 23 716.915527 42 717.403931 18 717.526855 16146.467773 717.827332 41 717.924255 18 718.123535 77 718.185669 18 718.295654 37 718.352112 22 718.430847 42.2953 718.531067 4227 719.046631 18 719.08728 18 719.525879 522 719.797974 21 720.145081 18 721.209839 22 721.380676 18 721.524963 20 721.661804 18 722.063782 18 723.079773 17 723.291199 18 724.154297 18 725.84906 18 725.954468 20 726.470764 22 726.657776 18 728.684204 21 729.559021 33 739.525574 18 740.528564 73 742.540161 173 743.549255 18 744.543396 24 749.610596 22 752.458069 25 787.398193 18 805.56842 18 843.395264 18 907.615845 28 930.593018 18 960.617859 23 968.349976 24 1002.625061 17 1028.677856 20 1065.693359 27 1136.567993 21 1149.727417 18 1162.796875 18 1178.816895 18 1184.082153 18 END IONS BEGIN IONS FEATURE_ID=43 FEATURELIST_FEATURE_ID=Aligned feature list peak:43 MSLEVEL=2 RTINSECONDS=124.07 PEPMASS=89.02356 FEATURE_MS1_HEIGHT=7.808E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:353"] SCANS=43 Num peaks=22 52.566494 22 72.995018 29 87.004089 31 89.022682 1050 89.083328 18 90.02459 46 91.027306 22 557.002136 47 648.372498 18 688.494751 112 689.497559 41 690.487122 20 691.488098 18 716.508484 18 717.526062 20 814.427368 18 929.578674 18 1001.689392 18 1002.678894 22 1031.647461 21 1150.621704 23 1154.769531 19 END IONS BEGIN IONS FEATURE_ID=44 FEATURELIST_FEATURE_ID=Aligned feature list peak:44 MSLEVEL=2 RTINSECONDS=124.18 PEPMASS=195.06572 FEATURE_MS1_HEIGHT=6.024E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:343"] SCANS=44 Num peaks=80 65.041145 19 67.015419 37 68.995255 23 79.055519 20 82.039604 34 83.043114 18 84.009338 17 87.008873 18 91.056824 82 93.031883 40 93.074112 20 98.070694 18 99.009468 22 103.054504 70 104.058975 18 105.029182 21 105.069397 142 106.042877 253 107.048767 19 108.045937 95 109.029442 185 110.028908 18 111.034912 20 111.048141 17 115.056679 24 119.048058 254 120.048965 21 121.023071 17 121.06591 1412 122.072334 73 123.042938 66 123.068153 20 129.01973 18 132.057144 83.736176 133.065445 490 134.065506 20 135.04303 19 135.072327 19 136.045502 18 137.026627 21 137.051346 20 149.058472 183 150.029388 21 150.069321 32 151.039322 66 151.07132 17 162.890717 17 164.986374 22 165.056015 45 166.99437 18 177.054977 123 178.022568 22 178.057388 18 181.003036 21 194.002106 23 194.090851 17 195.032074 18 195.062775 113 195.089096 18 197.028732 89 197.058014 20 197.084396 29 197.126694 100 209.276901 26 281.23645 18 453.182373 24 554.244873 18 686.461853 20 688.493286 55 689.486877 53 717.517761 20 742.542908 24 995.585083 22 1012.670288 28 1033.56958 23 1054.745361 18 1062.630249 21.999998 1129.737549 17 1142.858887 44 1144.715332 18 END IONS BEGIN IONS FEATURE_ID=45 FEATURELIST_FEATURE_ID=Aligned feature list peak:45 MSLEVEL=2 RTINSECONDS=124.60 PEPMASS=360.23882 CHARGE=-1 FEATURE_MS1_HEIGHT=2.036E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8:338"] SCANS=45 Num peaks=121 52.983543 18 57.031784 37 71.046005 20 72.045517 61 72.952141 18 73.028946 94 74.024147 3483.672607 74.170525 31 74.508232 18 74.584969 28 74.609985 18 75.025078 42 75.14669 21 75.564064 28 75.718872 21 76.027893 19 83.01416 18 83.05024 20 85.031013 18 87.009628 25 95.013557 24 95.046181 44 99.083572 118 101.095078 18 108.041161 20 109.102371 18 113.679939 20 115.957001 31 117.016609 19 125.095856 81 129.090698 78 139.075043 18 154.096207 24 156.139465 215 157.139969 20 158.457184 22 159.100311 22 166.166702 20 168.130417 26 171.097046 17 182.114716 18 182.155914 17 184.133224 920 184.233414 17 185.136963 140 186.135284 21 186.15239 38 194.150757 18 196.131042 22 202.928741 30 205.19194 28 211.128281 18 211.61351 20 212.167175 45 213.134186 29 214.144653 226 215.035141 20 215.146683 23 216.151535 17 222.189774 197 223.180954 18 224.192688 20 226.169174 24 228.163422 96 230.170242 17 238.17923 37 239.18425 20 240.160309 40 242.132004 18 244.745636 17 262.203735 18 262.223267 18 263.008911 53 266.000854 17 267.019135 19 267.191681 23 270.868073 29 272.172821 19 275.141602 20 276.19223 27 278.219788 48 284.22229 46 285.208527 26 297.12265 20 298.244141 30.000002 300.883545 21 303.229675 27 309.101929 30 314.240967 172 315.241089 17 316.242462 42 324.961365 18 327.128815 18 341.036224 24.000002 342.231049 136 343.227356 19 354.943512 18 358.222198 18 359.090881 19 359.127106 20 360.038849 17 360.109039 22 360.16098 18 360.238495 13655.369141 360.433105 19 360.566925 27 360.685822 26 361.242096 2757.13623 361.711578 26 361.902008 18 362.244293 394 362.68277 34 363.10141 18 363.181549 18 363.245117 157 363.547791 26 364.053345 26 367.647064 17 369.2565 19 373.293335 18 702.521729 41 END IONS BEGIN IONS FEATURE_ID=46 FEATURELIST_FEATURE_ID=Aligned feature list peak:46 MSLEVEL=2 RTINSECONDS=125.28 PEPMASS=230.10264 FEATURE_MS1_HEIGHT=6.333E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:351"] SCANS=46 Num peaks=84 58.030708 18 59.009579 18 70.03038 28 71.012375 58 72.016106 25 72.990982 22 74.026176 20 82.034821 18 88.039543 1237 89.045044 66 90.046219 20 90.269455 18 96.078934 17 96.994942 91 97.947731 35 97.99472 18 98.0383 18 98.951385 59 99.926018 18 112.985535 23 113.099609 18 113.941124 80 114.019203 99 114.091728 1785.602661 114.136604 23 114.785721 26 114.946945 17 115.002533 588 115.022728 31 115.076942 440 115.093643 94.937523 116.019028 21 116.078209 63.854408 117.019432 56 124.957771 19 128.922577 18 129.941254 19 132.030701 56 134.035034 17 139.039703 53 139.955963 17 140.106674 75 141.016296 22 141.091064 17 141.928558 22 141.959991 18 142.124161 23 142.945084 163 143.126114 19 143.953354 19 146.022141 19 146.04425 18 146.066055 18 149.061905 17 151.041107 49 155.9879 19 156.890137 22 156.940674 18 157.932938 37 157.952133 20 158.050201 35 158.977203 18 161.894104 80.100777 168.103226 60 171.951416 20 172.039276 18 182.993469 18 183.17659 22 184.952499 18 185.116364 22 186.113235 292 186.937408 56.000004 187.981796 22 211.004333 20 212.0858 18 213.095734 38 229.046204 18 230.03894 18 230.102432 467.935425 231.020935 19 231.111359 52 233.015457 17 233.151169 18 234.045532 18 END IONS BEGIN IONS FEATURE_ID=47 FEATURELIST_FEATURE_ID=Aligned feature list peak:47 MSLEVEL=2 RTINSECONDS=125.32 PEPMASS=702.50764 CHARGE=-1 FEATURE_MS1_HEIGHT=5.243E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8:275"] SCANS=47 Num peaks=47 108.689796 18 121.996468 35 230.892227 17 239.200638 45 240.206528 17 241.216888 435 242.224533 35 253.218613 1142 254.219879 210.657791 255.232758 480 255.942184 18 256.234558 38 263.3125 20 267.196533 17 267.233673 1346 268.234741 253 269.248901 331 269.576111 18 279.232178 113 280.237885 143 281.249695 806 282.254211 249 283.257629 46 286.135254 18 326.189911 20 340.208282 18 371.199799 17 420.258209 18 438.268372 93 446.265656 31 448.289246 51 452.289307 76 466.288116 168 467.314484 18 475.163269 18 476.103088 19 529.299011 21 688.488464 20 700.503723 18 701.50061 439 702.113281 19 702.505981 1695 702.810852 27 703.513184 826.017944 704.523682 174 705.408508 23 714.504395 18 END IONS BEGIN IONS FEATURE_ID=48 FEATURELIST_FEATURE_ID=Aligned feature list peak:48 MSLEVEL=2 RTINSECONDS=125.56 PEPMASS=246.99121 FEATURE_MS1_HEIGHT=1.051E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8:313"] SCANS=48 Num peaks=73 56.766346 18 65.53788 18 70.957191 20 91.672653 18 97.071396 27 100.670326 25 101.927361 29 107.012741 31 108.021156 1956 109.025475 54 110.027443 30 110.973648 125 111.012688 24 112.653236 18 112.966309 21 114.953934 51 115.040779 22 127.040291 23 135.013626 21 137.027527 21 137.057373 30 148.024216 18 152.012665 865.507019 153.01297 25 154.018158 19 155.949203 20 157.951447 108 158.940125 20 166.168167 17 166.36145 22 167.034561 10541.720703 167.457764 20 168.03862 1096 168.955978 30 169.039902 78 169.548126 17 170.040771 38 175.086594 26 175.778488 19 176.015823 21 176.245529 19 178.932709 18 180.907349 43 203.083878 30 205.12291 21 205.155762 36 232.073135 24 233.952759 28 246.992065 867 247.104401 20 247.995804 70 248.046814 34 248.982574 46 249.147324 25 249.996918 20 250.144501 37 250.162338 20.153301 305.083282 25 325.181396 49 338.971588 25 452.297302 20 660.447449 22 686.462402 39 687.489624 54 688.500977 177 689.508667 54.000004 691.500854 18 702.06842 18 714.512207 18 716.52771 80 717.549744 39 1005.24646 18 1012.65741 19 END IONS BEGIN IONS FEATURE_ID=49 FEATURELIST_FEATURE_ID=Aligned feature list peak:49 MSLEVEL=2 RTINSECONDS=125.82 PEPMASS=243.13437 FEATURE_MS1_HEIGHT=1.154E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:364"] SCANS=49 Num peaks=130 71.013786 18 73.015175 60 74.024384 73 81.02964 18 81.939171 20 83.014954 24 83.063194 61 83.928238 114 83.968773 43 84.043915 70 84.227783 18 85.043686 20 87.009659 90 88.039284 20 89.023552 18 96.079346 63 97.063133 82 97.929314 58 98.072922 28 98.496407 21 99.924797 1580 99.963768 18 100.043976 18 100.925163 208 101.071907 105 101.590126 25 101.925758 25 102.051544 22 102.073647 35 108.061455 22 108.079735 20 109.040291 397 109.943283 20 110.03363 23 110.047989 22 111.046822 18 111.962654 44 112.955421 17 113.095985 65 114.092476 1691 114.458344 20 114.653114 17 115.00399 20 115.09687 66 125.036636 24 125.562401 18 125.960968 38 127.050125 1520 127.957924 671 128.035172 316 128.053329 61 128.110489 25 128.521347 17 128.822632 20 128.952606 19 129.935791 18 131.590179 29 135.056763 26 135.945297 17 137.941605 193 138.092407 35 138.951599 18 140.106354 78 142.106873 18 143.076019 60 145.060974 1510 145.106247 18 145.162033 18 146.061569 101 147.01088 19 148.993362 17 153.935287 66 153.956924 79 154.018143 18 154.088333 18 154.121246 38 154.977341 38 155.015686 20 155.135681 17 155.951263 4275 156.916046 19 156.949814 384.447113 157.949692 72.931091 164.112015 22 167.034988 106 168.066696 21 169.013092 40 173.109818 22 173.963699 17 174.964767 27 175.997604 18 178.429062 24 179.980057 30 181.088562 17 181.134811 1756.580811 182.138977 140 183.102676 28 183.122177 17 183.144241 18 184.095078 17 198.133652 21 199.063583 18 199.087128 18 199.144104 209 199.976395 18 200.144928 26 214.10434 57.000004 225.064606 22 225.127106 259 226.126389 36 227.063141 64 227.090546 18 242.077911 48 242.120804 35 242.182281 18 243.136475 1197 243.458588 17 243.967682 83.088638 244.054642 20 244.092484 18 244.137878 180 244.963089 18 245.07843 43 245.105759 25 245.136917 17 245.969955 17 246.075089 20 247.020081 39 247.09494 20 247.165543 18 END IONS BEGIN IONS FEATURE_ID=50 FEATURELIST_FEATURE_ID=Aligned feature list peak:50 MSLEVEL=2 RTINSECONDS=126.04 PEPMASS=688.492 CHARGE=-1 FEATURE_MS1_HEIGHT=1.488E6 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8:278"] SCANS=50 Num peaks=42 78.959587 51 106.966682 26 140.012955 167 152.995026 17 178.027405 17 196.037598 229 197.038193 24 227.199951 181 228.204117 48 253.216095 7055 254.123199 18 254.221512 1320 254.79689 18 255.233047 2315.242188 256.235199 383 261.502167 18 267.243408 29 279.138947 20 279.242218 19 281.248383 576 282.25235 63 311.170837 18 396.194855 20 424.252625 20 432.250244 147 433.231812 26 434.264984 53.999996 435.26236 20 450.262787 19 452.279663 370 453.277588 109.999992 454.280884 19 473.276337 35 687.488892 75 688.493469 4007 688.582092 35 689.499084 1712 690.29187 20 690.350952 35 690.499512 365 691.485901 71 859.087463 20 END IONS BEGIN IONS FEATURE_ID=51 FEATURELIST_FEATURE_ID=Aligned feature list peak:51 MSLEVEL=2 RTINSECONDS=127.73 PEPMASS=660.46054 CHARGE=-1 FEATURE_MS1_HEIGHT=3.407E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8:312"] SCANS=51 Num peaks=68 96.968285 92 121.999138 18 140.011047 293 140.708649 20 152.992889 38 162.410324 23 170.761154 17 178.03212 25 196.040039 201 197.046234 29 199.474136 19 214.04335 18 215.054031 20 225.185944 1478 226.189117 358 227.201035 3410 228.203293 470.198578 231.84082 30 233.462341 17 252.073044 18 253.216309 11112.742188 253.290329 23 254.221252 2166.037354 254.398056 24 254.768723 18 255.232315 636 255.926224 18 256.236176 106 276.592224 18 281.249969 60 282.247345 35 310.165558 20 406.236298 144 414.107758 21 422.225891 44 424.247864 497 425.254425 35 426.286224 38 430.938751 19 432.249603 51 434.270477 94 435.268707 19 451.255554 43 452.284912 85 453.278381 48 454.300598 22 573.029297 17 623.279114 20 657.506836 20 659.432861 17 660.459717 7258 660.58252 34.775475 660.627563 18.377226 660.697449 18 660.84967 18 661.462769 2917.610352 661.832458 17 662.467163 571 663.476196 96 663.562012 25 664.481934 18 666.236145 30 667.562866 18 671.315491 21.999998 686.699524 22 714.50177 18 956.881287 18 1054.252075 19 END IONS BEGIN IONS FEATURE_ID=52 FEATURELIST_FEATURE_ID=Aligned feature list peak:52 MSLEVEL=2 RTINSECONDS=130.67 PEPMASS=201.07598 CHARGE=-1 FEATURE_MS1_HEIGHT=3.67E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:397"] SCANS=52 Num peaks=101 57.033249 17 58.497662 18 59.011959 46 65.000237 20 68.27153 28 69.035088 107 71.017929 24 74.021194 18 83.050392 34 84.927132 18 85.030281 66 87.045761 118 89.024673 42 95.013649 24 95.050011 439 96.219208 18 97.029999 17 97.065193 189 98.03524 23 99.92955 39 101.924316 17 109.064758 697 109.956406 38 110.064171 24 111.080841 5526 112.082954 303.728363 112.797897 19 113.02282 40 113.056908 24 113.096184 1224.685181 114.055573 18 114.091942 64 115.039558 186 116.04248 20 116.792656 34 116.925461 44 121.066429 62 122.071831 18 123.042336 157 124.051224 48 127.952042 19 135.008575 18 135.195053 18 139.001862 22 139.036911 17 139.075119 1949 139.861557 20 140.078323 86 141.053604 96 141.082825 46 142.036514 18 144.055237 18 144.907135 26 154.811005 28 154.931717 18 155.071213 1107 156.078018 101 156.959259 20 157.086197 16232.415039 157.123871 17 157.93573 18 158.089676 1565 158.834 18 158.90918 20 159.036118 17 159.080704 29.945395 159.095413 64.054604 161.096222 20 162.076187 18 163.030869 18 182.987381 18 183.06517 1462.215454 183.514847 18 184.069092 202 185.07579 27 187.989273 19 198.163147 17 198.54982 33 200.945923 18 200.970688 18 201.006271 22 201.07608 9500.882812 201.142838 20 201.522339 18 202.017578 17 202.079346 1241 203.0793 227 204.064102 17 204.086975 20 218.045151 24 297.065704 25 326.198456 17 327.10968 21 356.621063 22 361.130554 24 662.474854 26 862.326721 20 950.799316 23 979.051086 26 994.532837 21 1174.396484 18 END IONS BEGIN IONS FEATURE_ID=53 FEATURELIST_FEATURE_ID=Aligned feature list peak:53 MSLEVEL=2 RTINSECONDS=130.87 PEPMASS=222.0763 CHARGE=-1 FEATURE_MS1_HEIGHT=2.094E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:398"] SCANS=53 Num peaks=84 58.029263 26 71.009308 20 74.023903 4424.331543 74.615448 18 74.938011 18 75.028488 118 75.129486 18 76.023895 20 78.964294 23 89.024185 83 89.737679 35 91.054855 742 92.056686 131 93.035484 23 94.980186 38 99.027206 19 102.022484 20 104.034348 14482 104.099205 21 104.330147 17 104.352463 19 104.656052 18 105.037888 684.562927 105.272217 45 106.040321 101 106.05896 18 106.262444 19 107.050125 18 107.953453 17 117.033981 523.118652 118.034363 71 118.65863 22 120.01889 19 125.021423 23 131.904953 18 134.91124 18 135.008575 36 135.04541 22 135.083191 21 136.058945 22 143.03157 18 146.056885 78 147.042969 18 147.994446 23 148.076782 276 148.892105 18 148.991165 101.061119 149.079224 34 150.993774 54 151.043274 18 153.046829 20 157.1185 18 159.873917 18 160.077942 183 160.617508 18 161.081314 67 163.008026 38 163.042923 19 164.031357 24.056841 164.04686 21.943159 174.054749 375 175.056854 27 177.02356 40 179.033691 23 180.115387 39 181.009079 27 181.040909 49 184.03656 19 192.069077 241 193.017166 21 193.067001 78 196.533707 18 204.058258 26 221.012024 128 221.156906 73 222.076675 716 223.00444 35 223.02504 18 223.06044 40.892879 223.0784 40 223.135406 18 224.083649 22 225.079834 20 707.133179 22 END IONS BEGIN IONS FEATURE_ID=54 FEATURELIST_FEATURE_ID=Aligned feature list peak:54 MSLEVEL=2 RTINSECONDS=133.65 PEPMASS=153.01863 FEATURE_MS1_HEIGHT=7.727E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8:400"] SCANS=54 Num peaks=52 75.217575 18 79.440598 22 81.034256 63 82.0075 17 88.047356 17 89.02346 46 89.338112 18 91.018219 62 107.014862 23 107.4161 17 108.022217 858 108.046738 27 109.029091 4567 109.647926 38 110.031021 287 110.121696 23 111.035133 56 111.930107 20 147.594498 23 150.767502 20 152.029007 23 153.01741 934.385742 153.092575 26 153.871033 19 154.020477 130 154.249557 19 154.399124 17 154.993958 40 155.01712 26 155.038498 17 157.020828 39 160.659943 21 174.722107 18 212.684189 18 236.719681 18 246.074677 18 264.075775 18 339.195923 20 396.136139 18 443.342987 18 616.276428 24 634.429565 18 659.452881 18 905.299072 28.999998 935.371521 18 951.611084 18 966.275513 22 1005.698364 17 1054.4104 18 1076.580811 17 1122.442871 21 1161.581299 17 END IONS BEGIN IONS FEATURE_ID=55 FEATURELIST_FEATURE_ID=Aligned feature list peak:55 MSLEVEL=2 RTINSECONDS=134.86 PEPMASS=403.12419 CHARGE=-1 FEATURE_MS1_HEIGHT=1.381E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8:370"] SCANS=55 Num peaks=83 55.422283 18 59.012794 29 61.989952 18 72.992645 64 75.974663 18 80.96833 22 83.777016 21 87.01059 44 87.724518 17 87.736053 20 88.008331 20 88.658508 18 88.986496 37 89.023628 22029 89.187798 17 89.510551 21 89.719231 24 89.754433 20 89.815987 24 89.82914 18 89.900719 21 90.026627 924 90.197327 18 90.640053 17 90.70665 24 90.866447 18 91.030258 109 91.044807 20 91.095901 19 91.146767 17 91.480003 17 96.960556 21 100.932266 18 113.055893 21 115.077354 18 121.013245 18 125.056541 17 130.050201 40 151.041534 71 157.050049 21 158.978394 17 160.027496 20 174.073883 35 177.128647 18 193.608002 18 214.052948 22 235.052841 18 237.041 21 239.934296 27 243.085648 45 271.170593 30 281.123627 18 282.044586 22 289.660583 22 299.14447 20 299.988068 18 316.182495 18 363.148499 18 387.088104 17 402.151733 20 402.214569 17 403.126129 821 403.18454 18 403.260773 41 404.127289 171 404.247467 20 404.289825 24 405.111206 18 405.268127 41 406.083344 20 406.149048 20 570.662354 20 688.487732 54 689.489441 35 690.494446 18 714.503235 35 717.50946 18 771.52948 18 1003.599976 18 1056.629761 18 1080.743408 20 1121.662354 18 1158.801514 28 END IONS BEGIN IONS FEATURE_ID=56 FEATURELIST_FEATURE_ID=Aligned feature list peak:56 MSLEVEL=2 RTINSECONDS=134.89 PEPMASS=151.03955 FEATURE_MS1_HEIGHT=9.704E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8:367"] SCANS=56 Num peaks=26 78.963074 31 79.957932 26 81.034988 22 89.027275 61 91.01889 55 92.026703 456 93.028656 36 107.010384 79 108.022209 219 109.029312 1784.616821 109.119728 18 110.031197 71 111.591553 22 121.032341 60 136.016602 380 136.937897 20 137.016129 18 150.917816 20 150.976028 23 151.001205 18 151.041534 394 151.074707 18 152.041962 23 152.904968 24 153.020233 193 155.317352 20 END IONS BEGIN IONS FEATURE_ID=57 FEATURELIST_FEATURE_ID=Aligned feature list peak:57 MSLEVEL=2 RTINSECONDS=134.97 PEPMASS=349.06928 CHARGE=-1 FEATURE_MS1_HEIGHT=9.808E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8:371"] SCANS=57 Num peaks=54 59.014599 100.321388 59.470383 17 71.01329 20 89.024605 93 96.962936 80 101.025414 130 102.024521 19 113.024498 24 125.090904 21 125.941017 18 135.082092 20 136.018661 33 143.894196 19 144.990479 19 151.04007 1061 152.038193 21 153.064606 20 159.049408 39 162.882828 18 169.955154 21 180.025101 19 183.016647 25 184.03038 18 185.116913 23 193.052383 28 202.049728 40 211.024994 24 213.993652 19 217.104462 28 218.133362 21 220.953979 18 229.970261 18 251.134277 18 253.218002 18 261.153595 27 265.151947 22 269.153992 20 271.226532 18 275.085693 17 296.143951 17 305.211334 32 324.211884 20 332.020844 43 349.059326 20 349.173859 35 349.234283 42 350.193481 22 351.067627 47 351.184448 18 351.209869 20 351.514709 18 352.158112 18 353.191498 30 353.220673 20 END IONS BEGIN IONS FEATURE_ID=58 FEATURELIST_FEATURE_ID=Aligned feature list peak:58 MSLEVEL=2 RTINSECONDS=134.97 PEPMASS=359.09751 CHARGE=-1 FEATURE_MS1_HEIGHT=4.275E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8:365"] SCANS=58 Num peaks=90 72.009262 21 75.010948 25 92.027061 306 93.028358 153.114517 94.470169 20 95.011658 23 98.074059 18 99.925873 17 103.130844 22 109.027863 17 114.949768 52 119.50695 22 122.031746 32 124.039253 23 126.082764 26 131.043823 17 134.030716 17 135.823929 22 136.015411 1067 137.022034 44 137.096542 17 147.224487 18 150.817505 18 150.989731 25 151.039322 20510.597656 151.090714 18 151.136261 17 151.700516 22 151.714752 18 152.043854 2100.060791 152.128983 17 152.406052 18 152.793091 18 153.018341 18 153.048279 182 155.561111 17 156.923126 18 157.121826 20 157.931335 21 161.042145 20 162.044373 18 169.048782 21 182.004898 18 189.047653 35 196.861572 20 200.734879 20 202.928955 62 205.598221 18 207.04805 63 207.983994 18 221.154007 17 224.084015 18 232.024475 24 239.075058 23 240.108002 62 243.184448 19 247.116699 18 257.859283 48 268.936951 17 272.840485 18 287.057495 18 298.143555 18 313.089478 146 314.098175 17 317.077942 18 322.08786 18 343.876404 32 344.86499 17 350.917236 21 358.156006 18 358.690735 18 359.001068 22 359.097107 1616 359.181519 38 359.223328 41.348797 359.341583 22 360.09549 221 360.184998 20 360.225891 22 360.392975 39 361.101685 54 363.113495 41 688.488586 97 690.51825 26 715.509827 18 716.521545 67 718.511902 25 799.240234 23 953.525696 22 1058.055908 17 END IONS BEGIN IONS FEATURE_ID=59 FEATURELIST_FEATURE_ID=Aligned feature list peak:59 MSLEVEL=2 RTINSECONDS=135.00 PEPMASS=89.02367 FEATURE_MS1_HEIGHT=8.788E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8:367"] SCANS=59 Num peaks=14 89.024284 340 90.025574 18 119.254684 17 166.058823 19 229.452927 18 641.29657 20 689.468933 17 690.509033 18 901.540894 17 1001.684387 18 1003.616211 18 1114.620117 20 1115.664917 18 1195.510986 20 END IONS BEGIN IONS FEATURE_ID=60 FEATURELIST_FEATURE_ID=Aligned feature list peak:60 MSLEVEL=2 RTINSECONDS=135.61 PEPMASS=260.14952 FEATURE_MS1_HEIGHT=8.032E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:431"] SCANS=60 Num peaks=137 59.014069 20 68.605301 35 71.013786 18 72.042389 59 72.955971 35 74.024414 1372.012207 74.787109 17 75.024109 18 75.031807 33.668919 93.032967 18 96.958488 20 100.931671 21 101.028961 26 105.017136 18 109.020401 17 110.03363 17 113.067436 43 115.013901 20 118.052132 74 128.03479 18 128.109222 58 130.086929 38 130.89505 17 133.922745 18 139.043213 18 139.075119 55 141.092834 18 142.126984 76 144.887955 17 144.900696 17 145.082428 19 145.894287 21 145.936981 27 146.8992 73.943726 154.120163 96 156.103333 18 158.88858 18 159.042923 18 159.095932 18 159.892563 77 160.892593 82 161.890564 39 162.891479 85 167.871979 18 168.960449 26 169.124969 18 169.947678 21 170.116974 285 170.936539 23 172.133698 61 172.923111 22 174.925446 37 175.047699 19 177.058426 24 182.114822 18 183.908768 25 185.020218 22 186.048828 17 196.060822 24 197.037247 24 197.073425 43 198.111877 226 198.141251 101.563385 199.041367 18 199.15773 18 199.877533 19 202.977325 26 203.0345 21 203.832794 22 214.071533 24 215.970535 19 216.063828 20 216.123108 1984.642456 216.167984 20 216.334259 21 216.981827 18 217.088531 19 217.12738 183 218.125717 39 219.026047 20 222.17131 21 223.837616 21 226.728043 21 227.193588 18 229.119736 21 230.117401 20 230.140457 41 231.911575 20 232.909485 18 248.920639 19 257.077728 26 259.073669 18 259.117126 18 260.087067 23 260.148743 763 261.000732 32 261.149536 106 261.18573 22 262.100281 19 262.22525 17 263.021301 20 263.126465 17 267.812073 26 275.168152 21 279.244934 22 283.10202 23 297.157043 59 310.220032 44 311.166382 21 313.17276 18 319.122437 18 359.111328 24 360.540466 30 378.944885 17 379.074188 19 419.65564 17 511.950775 19 632.38678 21 665.268127 19 686.287903 17 686.473877 19 688.484924 115 689.480408 18 715.520325 26 717.503845 17 742.547363 20 783.441772 26 799.434021 18 826.497192 33 851.587769 24 879.320435 23 950.662842 18 986.524841 20 1014.692749 20 1112.670776 21 1133.428711 18 1164.704468 19.999998 END IONS BEGIN IONS FEATURE_ID=61 FEATURELIST_FEATURE_ID=Aligned feature list peak:61 MSLEVEL=2 RTINSECONDS=137.37 PEPMASS=208.06051 FEATURE_MS1_HEIGHT=7.594E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:461"] SCANS=61 Num peaks=128 57.018703 22 57.947598 18 63.93232 23 68.014923 18 70.024094 21 77.038643 201 79.956528 42 81.428108 24 87.00563 18 88.991524 19 89.022728 18 94.027946 18 95.049873 17 99.002831 19 100.075729 20 106.034599 27 107.037186 25 107.050049 35 109.028015 20.224209 109.039635 41.775791 111.022781 34 114.017891 18 114.985733 19 115.018997 17 115.258804 18 116.051605 46 116.998039 17 119.048119 481 119.315697 20 120.046959 112 121.035149 87 121.055893 20 124.017647 18 127.052544 37 131.040771 27 132.048843 36 133.044983 18 134.060059 676 135.04541 22 135.060272 39 136.990402 30 140.103958 20 142.993729 18 144.04303 20 145.051758 45 146.060059 1320.624023 147.064819 122 148.062042 21 149.074341 23 149.883377 20 155.94635 24 160.039093 325 161.043686 105 162.056381 142 163.043396 25 164.033401 26 164.066498 45 165.014404 42 165.083801 18 166.013046 18 166.891983 19 167.080948 166 177.053604 22 177.089935 18 178.050674 986.806519 179.049026 103 181.046143 18 182.046631 17 183.067383 18 191.03273 23 192.014648 22 206.874878 19 207.008911 22 207.027328 40.939083 208.026566 58 208.063004 697.126404 209.009796 18 209.037827 20 209.057205 60.736137 209.077728 30.44853 209.118591 24 209.924255 17 211.069153 84 212.017868 22 221.081299 21 229.118576 39 239.026535 18 249.140915 18 271.09201 20 296.593506 24 316.104706 26 341.016693 22 381.165192 18 390.270782 18 453.216339 28 459.206726 18 562.15033 24 565.222412 18 577.296448 18 618.15686 20 657.231384 18 714.502502 18 721.351257 18 741.320496 17 742.516357 18 742.624451 25 743.156372 18 745.523804 32 764.51001 18 777.386169 20 786.408875 22 795.297729 20 804.27417 17 812.249084 18 923.400635 19 951.327026 17 1014.105652 19 1035.300659 22 1046.638306 17 1070.360962 20 1082.624268 18 1096.688599 18 1102.609985 18 1136.277832 17 1142.445435 19 1187.65332 18 1188.482666 20 1192.08252 25 END IONS BEGIN IONS FEATURE_ID=62 FEATURELIST_FEATURE_ID=Aligned feature list peak:62 MSLEVEL=2 RTINSECONDS=137.85 PEPMASS=229.11842 CHARGE=-1 FEATURE_MS1_HEIGHT=2.982E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:456"] SCANS=62 Num peaks=162 58.032063 29 59.637451 22 63.276302 19 66.031197 41 67.012726 18 67.038589 18 71.015114 21 71.370605 22 72.043915 115 72.999672 18 74.024712 103 74.328476 29 75.015602 35 75.745247 20 81.993347 18 82.027649 78 82.061699 37 83.032692 18 83.062386 76 83.96627 18 84.042358 68 84.701965 29 85.029587 18 85.048134 34 86.023697 20 95.049179 19 96.006279 23 96.938652 78 97.945221 133 98.95121 18 99.0858 50 99.267365 18 100.07589 7281.998535 100.12854 18 101.059128 251.353989 101.076668 720.645996 101.592705 34 102.057259 22 102.077393 19 102.74881 24 103.714516 18 109.039986 702.772522 110.024055 38 110.042549 20 111.030365 43 111.930695 20 112.016472 22 112.079048 18 112.983376 38 113.097046 56 113.940445 120 113.967476 19 114.090508 148 115.023232 45 116.032784 17 117.017647 25 120.018219 21 125.176979 52 125.809761 34 126.091354 128 127.050537 5164 127.40229 17 127.887062 20 127.957207 41 128.035233 827.075562 128.05571 175.924438 128.611069 18 129.056366 18 129.930374 39 130.93988 29 133.696945 17 137.943069 17 139.957718 113 140.072205 71 140.108002 261 140.965424 39 141.933563 76 142.122849 20 142.943542 126 143.048233 18 143.957031 99 144.961197 45 145.061203 972.413391 146.066635 125 147.064621 37 149.115082 20 151.03688 39 155.912155 21 155.953094 265 156.895645 85 156.952011 60 157.029266 22 157.049026 23 157.212616 19 157.930206 82 157.978455 20 158.08223 40 158.89418 19 158.970551 53 159.085007 37 160.045151 35 160.896255 18 165.105362 18 165.701599 24 166.09935 20 166.719025 19 166.909485 20 167.03244 27 167.075317 18 167.118668 7948.601562 167.189346 18 167.214249 19 167.480682 20 168.121674 988.885559 169.097366 18 169.131912 78 171.334305 18 171.522491 18 173.080246 20 182.293518 20 183.054932 17 183.647552 18 183.949463 18 184.91925 36 184.955826 44 185.131317 647.849609 185.963058 55 186.074158 18 186.111526 20 186.138229 44 187.939102 70.311554 188.068909 20 197.591736 26 198.273834 18 210.989365 20 211.108734 2852 212.086166 93.767075 212.10994 414.232941 213.004272 20 213.075272 18 213.113876 61 228.052231 18 229.119263 4666 229.218475 18 230.030716 24 230.123001 439 230.960052 59 230.999786 39 231.03093 43 231.082275 18 231.123199 57 231.91243 20 231.952606 22 232.049454 26 233.042068 41 234.201645 18 249.717667 18 333.72702 18 360.956604 29 408.063324 23 733.418823 18 1019.576477 20 END IONS BEGIN IONS FEATURE_ID=63 FEATURELIST_FEATURE_ID=Aligned feature list peak:63 MSLEVEL=2 RTINSECONDS=139.68 PEPMASS=285.06086 FEATURE_MS1_HEIGHT=8.576E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8:460"] SCANS=63 Num peaks=119 50.023693 19 59.012501 347 60.016167 18 60.368473 18 69.033836 24 70.031921 20 71.046494 20 72.997681 25 74.021767 41 75.027031 26 81.030952 61 82.613258 18 87.988342 39 89.021446 17 91.055046 178 92.041061 18 92.235443 26 93.038139 74 93.072037 38 94.043633 30 95.052498 48 96.95845 18 97.030045 447 97.203232 26 103.600121 21 104.038246 55 106.043007 18 107.049561 20 108.020683 18 108.055298 21 109.027679 66 109.065163 1082.929443 110.070793 83 111.045425 20 111.075912 27 111.957436 19 112.088463 48 113.035316 18 114.652275 30 115.02018 18 116.920181 20 116.929604 42.126854 119.048477 197 121.031937 18 122.037834 159 123.960213 25 125.057014 18 127.957611 113 133.017654 50 133.035568 18 134.033371 52 135.045441 432 136.047821 75 137.023712 353 137.059952 2572 138.029495 47.776924 138.061966 243 139.113586 18 145.057632 38 147.988815 20 150.04068 18 150.920776 20 152.947052 18 153.05423 105 153.935471 19 153.96022 35 155.95314 142 156.956711 18 163.038452 37 167.950333 60 169.04837 17 169.96756 18 174.934753 18 176.100571 17 179.028076 31 181.050552 1049 182.058334 110 183.004028 18 183.056564 43 184.021011 21 184.084198 27 186.00705 18 196.056427 24 196.138382 25 197.119659 21 199.127335 20 201.058228 35 207.032928 38 211.108231 25 215.066437 24 216.966675 20 221.269974 18 225.043991 41 241.067352 37 244.026382 20 244.062088 22 258.13797 18 261.8237 19 265.979309 18 267.057129 23 284.1026 18 285.059265 437.000031 285.112335 17 285.142822 19 286.040924 19 286.065521 24 287.080322 26 287.148163 19 287.905518 18 287.962799 60 325.199005 24 390.029053 17 583.221558 20 674.35791 19 688.473206 19 750.32074 36 875.390015 18 922.596008 20 1183.349854 24 END IONS BEGIN IONS FEATURE_ID=64 FEATURELIST_FEATURE_ID=Aligned feature list peak:64 MSLEVEL=2 RTINSECONDS=141.56 PEPMASS=206.04553 FEATURE_MS1_HEIGHT=5.216E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8:462"] SCANS=64 Num peaks=77 51.294525 18 61.592976 31 73.034027 18 89.026787 18 91.052956 52 97.027718 20 103.003761 25 104.995979 22 105.016327 20 105.064964 24 107.053574 18 115.015045 31 118.030922 152 119.049065 43 120.046371 90 122.013657 18 123.04406 21 131.041962 31 132.044449 41 133.850708 19 134.026688 57.216835 134.059219 172 134.098328 20 134.877762 18 135.008438 18 136.064896 30 136.933945 18 136.98967 23 139.036804 26 143.044662 20 143.927322 21 144.046097 249 145.025345 20 147.031662 697 147.058701 28 147.160431 21 148.035477 39 149.616501 17 150.816025 19 151.023224 31 151.041122 125 152.599899 20 158.845139 24 159.891327 110 160.040543 316 161.054794 23 161.611969 24 162.055588 2840 163.059464 299 164.065384 64 166.026306 20 174.009933 23 179.034561 18 181.050323 47 188.037735 179 189.032043 64 194.01532 18 205.00769 18 206.045593 464 206.090393 44 206.164169 20 207.027817 84 207.051147 88 207.102509 20 209.039001 130 209.076981 27 209.121582 20 250.4561 23 267.400757 20 373.332184 17 431.086426 33 688.493652 28.999998 714.495728 37 975.626404 23 1028.713379 18 1055.733154 43 1069.894653 17 END IONS BEGIN IONS FEATURE_ID=65 FEATURELIST_FEATURE_ID=Aligned feature list peak:65 MSLEVEL=2 RTINSECONDS=142.80 PEPMASS=241.03506 FEATURE_MS1_HEIGHT=6.639E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:519"] SCANS=65 Num peaks=134 59.015934 53 67.020401 24 74.023239 20 81.031944 39 81.939636 20 82.028381 26 82.931396 20 83.035202 18 83.93222 115 84.286758 22 87.010727 40 87.044533 65 89.023003 83 91.054741 65 92.049858 40 94.029846 25 95.046257 17 97.932411 48 98.017151 23 99.049553 28 99.924576 979 99.958641 18 100.710648 20 100.926186 79 107.033653 56 107.050125 18 107.951675 18 109.028267 100 109.064308 39 109.946312 23 110.020851 18 110.05777 20 111.013771 25 111.927055 20 111.965004 204 112.959351 18 114.016548 17 115.017044 34 117.931519 20 120.046333 79 121.052124 20 122.059052 93 123.010574 19 123.039284 18 123.909927 17 124.050369 23 125.060066 46 125.962692 93 127.042358 27 127.956253 628 128.954941 43.351475 128.968414 28.648525 129.023376 47 132.061401 17 133.072632 39 135.04483 20 135.07962 44 135.969467 62 137.024597 20 137.944443 28 138.058868 73 139.409012 22 143.921631 20 148.037109 71 150.997986 38 151.056213 20 151.960876 18 152.942596 26 152.966095 18 153.057388 93 153.939011 102.814781 153.956726 112.265099 153.979172 24 154.063248 17 155.034576 27 155.061035 17 155.951797 3777.306396 156.851562 18 156.912277 20 156.953796 381 157.051804 18 163.263412 17 166.046768 168 171.046997 22 171.069672 29 173.028778 23 173.087921 45 173.965027 80 177.086533 20 181.07988 19 181.169083 17 182.039734 20 182.05249 36.021214 186.044556 22 186.118896 18 190.935898 46 196.995422 30 197.041702 64.513138 197.059601 25.48686 198.05278 18 198.081635 18 198.604172 35 199.974854 42 204.079453 21 210.01561 19 210.039902 56 211.043823 36 223.01918 20 225.955368 51 226.156128 17 230.085205 23 240.057419 61 240.975723 41 241.048126 241.442215 241.971893 29 242.040115 36 242.081345 35 242.183426 18 243.021835 39 243.095779 50 243.124039 135.568619 243.967941 156 244.053116 76 244.087616 18 245.053467 109 245.098358 17 248.916763 20 277.164551 18 337.626221 19 354.287964 18 465.921326 20 540.317139 20 546.938171 55 554.23645 18 END IONS BEGIN IONS FEATURE_ID=66 FEATURELIST_FEATURE_ID=Aligned feature list peak:66 MSLEVEL=2 RTINSECONDS=145.28 PEPMASS=566.3458 CHARGE=-1 FEATURE_MS1_HEIGHT=7.115E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8:418"] SCANS=66 Num peaks=52 76.001785 18 96.054718 17 138.999817 17 152.997177 18 167.064545 17 208.936249 21 224.066986 18 247.582489 26 281.249634 1568 281.355774 20 282.253143 422 283.259033 147 297.165314 20 315.47345 17 325.184998 23 333.996002 17 337.182159 22 339.207794 35 395.085266 18 415.140198 29 422.927979 18 433.507446 42 434.183289 29 452.273285 19 461.26535 28 478.139099 23 500.977325 20 506.32663 656 507.332672 173 508.334961 43 513.84198 18 542.289001 17 566.265991 17 566.346619 61 567.341309 18 568.10614 18 568.355713 19 569.18512 18 569.273315 20 673.47168 20 688.505493 17 689.469238 18 707.501465 20 715.505066 18 716.517761 18 720.509033 21 732.434082 23 771.504822 20 822.429382 32 908.679565 49 1040.644165 19 1074.662964 20 END IONS BEGIN IONS FEATURE_ID=67 FEATURELIST_FEATURE_ID=Aligned feature list peak:67 MSLEVEL=2 RTINSECONDS=145.46 PEPMASS=362.24421 CHARGE=-1 FEATURE_MS1_HEIGHT=1.458E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8:418"] SCANS=67 Num peaks=131 52.880749 22 57.078491 25 62.84256 21 67.029465 17 74.024147 20 80.035278 20 81.044006 186 82.842224 22 89.837959 19 93.032089 19 93.044716 85 94.047836 36 100.929993 18 107.058563 40 108.057487 37 108.177132 17 108.485847 18 109.0355 43 109.05777 24 110.072083 4917.849609 110.434967 32 111.049545 20 111.076683 292.355469 111.640579 22 112.033348 18 112.07621 18 112.98571 22 113.020172 29 114.949379 18 118.042747 22 128.924835 35 133.924866 18 134.060913 18 134.712433 17 136.054962 120 137.034622 293.079742 137.053604 17.920258 137.535934 25 139.041321 17 142.945099 26 144.080002 17 145.550949 41 147.047714 18 148.079391 21 150.859909 22 151.006882 26 154.061478 4764.023438 154.316849 20 155.065125 228 156.064636 68.460396 156.07814 22.05175 156.604645 22 156.945724 18 158.087753 25 160.893082 17 165.05278 22 166.056229 19 173.032089 21 180.887115 39 188.946625 21 194.903748 18 194.919769 19 200.929749 18 202.928268 36 203.85556 18 203.922958 62 210.685074 30 211.124649 42 221.853638 25 224.196396 17 225.189865 655.549377 226.19136 65 232.974075 18 233.009186 18 234.911179 23 243.884171 18 247.034149 42 264.198853 450 265.198151 28 266.159546 18 267.2146 41 270.869995 37 271.005737 18 271.869446 74 271.965881 17 273.225708 35 273.252228 26 273.98996 17 274.233917 51 274.86731 18 277.161346 18 277.949097 17 283.215149 17 298.226288 17 300.243988 434 300.871399 35 301.227661 18 301.251862 22 312.174225 17 315.223206 20 316.240173 18 317.242188 18 318.254517 828 319.258789 126 319.865265 25 320.259155 18 321.277161 23 333.530487 23 344.232178 18 344.862701 40 361.082672 17 361.243347 17 361.899536 26 362.244598 6651.080078 362.324646 18 362.944794 19 363.249481 1925 364.252808 180.710159 364.368256 25 364.625092 26 365.010284 18 365.139771 18.000002 365.245178 42.73568 374.068176 21 445.847931 18 460.140228 18 465.342163 19 546.063538 24 660.337524 17 820.50885 18 1139.650146 18 END IONS BEGIN IONS FEATURE_ID=68 FEATURELIST_FEATURE_ID=Aligned feature list peak:68 MSLEVEL=2 RTINSECONDS=146.43 PEPMASS=160.03984 FEATURE_MS1_HEIGHT=6.685E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8:522"] SCANS=68 Num peaks=69 55.055264 20 57.0331 136 59.009995 48 65.021011 20 65.235252 22 66.058304 25 66.519829 41 67.048485 23 73.025574 17 86.377274 24 87.184364 17 90.037071 45 91.016869 42 98.025162 77 98.445869 17 99.008308 36 99.044724 1048.183105 99.219444 21 99.869438 38 100.045555 65 101.022102 302 101.048363 19 105.018738 18 107.142441 17 113.024048 18 113.921997 23 115.10025 21 116.049934 448 116.925156 35 117.036797 70 117.053734 53 118.028069 17 118.060143 40 120.546227 25 121.834366 18 131.038437 40 131.124466 19 132.045349 224.000015 135.056427 22 141.8936 32 142.924713 73 143.036789 39 143.897308 18 156.069229 18 157.049637 18 157.913818 17 159.031937 171 160.039505 4348.101562 160.162796 20 160.785034 38 161.04306 827.254456 161.542236 18 162.038315 42 162.055099 44 162.162537 30 163.001328 57 164.833511 20 171.949097 18 173.02858 20 203.007111 21 216.637772 21 216.969116 20 239.184647 20 257.572693 18 265.909302 18 353.20755 23 608.688538 17 628.323792 18 1106.217529 20 END IONS BEGIN IONS FEATURE_ID=69 FEATURELIST_FEATURE_ID=Aligned feature list peak:69 MSLEVEL=2 RTINSECONDS=149.26 PEPMASS=161.04494 FEATURE_MS1_HEIGHT=1.071E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:553"] SCANS=69 Num peaks=91 53.491993 20 53.838558 21 57.033737 820 57.254055 19 58.037548 24 59.013214 388 63.109039 22 72.055939 18 81.946358 18 90.003639 18 96.425812 18 99.020248 19 99.044281 3174.84082 99.082413 21 99.092064 18 99.130569 20 99.180489 18 100.046997 248 100.75251 20 100.921188 18 101.024223 1231.816162 101.684555 18 102.024101 17 108.858955 20 114.055565 18 115.918022 59 116.053787 18 117.055473 68 117.930405 18 142.047699 38 147.183182 22 147.892899 18 149.061722 26 153.519638 18 160.039444 163 161.017838 17 161.044418 1803 161.136948 20 161.890488 26 162.0495 86.986931 162.336334 18 162.896317 21 164.038193 25 164.903076 18 164.996567 26 173.737534 22 188.055374 28 189.07637 22 206.611938 22 207.015671 18 223.09903 18 240.038757 37 241.069641 24 244.640991 20 263.341644 18 265.15329 25 272.066956 18 275.059448 18 276.664948 33 305.977631 20 325.185272 64 335.054291 18 370.487885 24 378.091858 20 397.081116 18 422.535004 18 430.769775 17 448.324036 20 450.119232 20 462.289978 25 556.224243 20 560.897339 18 567.299805 18 572.177734 43 577.152466 18 715.505981 17 727.353455 19 738.464233 18 749.968384 28 798.459595 18 874.274231 29.000002 914.497253 18 969.144348 18 980.273499 19 996.315735 32 999.425598 20 1044.576538 53 1088.633911 21 1141.604858 20 1143.559082 20 1143.713989 18 END IONS BEGIN IONS FEATURE_ID=70 FEATURELIST_FEATURE_ID=Aligned feature list peak:70 MSLEVEL=2 RTINSECONDS=151.07 PEPMASS=336.22903 CHARGE=-1 FEATURE_MS1_HEIGHT=1.27E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8:454"] SCANS=70 Num peaks=102 52.03154 18 74.723587 17 80.038544 18 81.046074 75 82.045998 17 85.76712 20 93.045425 254 108.054504 37 110.071823 3942 110.093239 18 111.076935 219 111.317307 18 117.023239 20 119.02697 25 127.033203 26 127.05024 21 129.924469 20 130.662964 20 131.954437 20 136.049179 18 137.033875 304 138.999771 17 140.059952 30 145.030334 18 147.05748 17 151.073624 22 153.014481 34 154.061371 3122.534912 154.85701 20 155.062546 215 164.898483 20 165.090881 17 166.054749 21 173.050491 17 183.011047 156 184.018036 78 184.999023 23 185.04451 20 188.941162 24 192.980621 18 197.030396 28 198.186234 218 199.171097 549.725647 199.775131 20 200.173874 38 203.664886 20 215.929672 21 219.94136 20 230.997528 22 235.171768 24 238.183395 497 239.174591 20 240.185135 23 242.011017 17 243.922379 20 247.224335 42 251.069305 22 256.202454 24 258.970947 29.000002 261.352173 25 263.052673 19 265.046143 22 265.232483 46 270.861206 18 274.228302 369 275.22406 57 289.177917 19 290.216919 42 292.141846 19 292.241028 846 292.920227 18 293.179565 18 293.237671 61.04398 293.257111 27 299.152954 18 301.784363 20 318.217407 56 325.18576 20 335.108795 28 335.169098 22 336.128906 17 336.228851 4556 337.077271 40 337.100983 18 337.182617 81.476051 337.232941 877.540344 338.233948 104 339.143463 60 339.200928 1670.284424 340.202301 217.503052 341.496246 18 417.53363 18 555.301636 19 588.351196 25.999998 688.550781 33 713.523926 18 714.561096 20 754.249512 17 772.509949 19 999.762695 17 1024.833984 18 1164.482422 24 END IONS BEGIN IONS FEATURE_ID=71 FEATURELIST_FEATURE_ID=Aligned feature list peak:71 MSLEVEL=2 RTINSECONDS=151.63 PEPMASS=151.06062 FEATURE_MS1_HEIGHT=1.155E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8:534"] SCANS=71 Num peaks=39 55.015732 18 57.033783 39 59.013359 527 59.085514 22 59.574268 21 71.013535 788 73.027306 255 73.397064 19 73.536133 18 79.017372 18 83.013031 23 84.017319 53.406097 84.025558 21 85.027519 171 89.023773 578.072144 90.026764 39 91.02636 21.332937 91.03669 22 92.045677 18 96.957855 19 97.027901 53 99.008003 18 101.024361 508 102.0242 41 103.043594 31 108.041473 17 109.032089 90.709305 119.035995 35 131.030396 57 133.049515 35 151.06041 1235.919189 152.035873 18 152.063492 56 153.091965 17.916737 153.106247 40.742855 169.00621 18 215.326218 20 418.258514 28.000002 688.498718 20 END IONS BEGIN IONS FEATURE_ID=72 FEATURELIST_FEATURE_ID=Aligned feature list peak:72 MSLEVEL=2 RTINSECONDS=151.68 PEPMASS=459.11368 CHARGE=-1 FEATURE_MS1_HEIGHT=1.304E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:578"] SCANS=72 Num peaks=179 50.484558 18 52.360626 20 59.013321 413 67.910522 72 71.014183 480 72.015709 20 72.389847 24 74.997368 24 76.418182 30 85.027809 53 85.595276 18 86.99469 16.008205 87.007149 106.991798 88.011749 17 88.270706 22 89.023766 832 92.869072 20 93.031929 17 95.048508 26 99.912132 24 100.421204 20 101.025436 728 102.029228 18 105.025574 39 107.041214 17 112.048126 17 113.024063 325 114.030029 18 114.055901 20 115.926292 24 116.926018 19 117.02079 100 119.035217 416.579254 119.046112 270.234833 120.04937 43 121.028694 360 121.067307 38 122.03318 38 122.87542 18 123.006821 19 123.04628 18 124.141319 17 125.025436 22 127.050064 21 130.087555 35 131.032776 18 133.006851 18 135.030823 94 135.275452 20 137.060272 225 137.843842 17 140.036942 18 141.019928 29 141.053375 19 143.036911 71 144.490585 19 146.963104 25 147.043304 475 148.049332 46 148.550858 17 149.022903 21 149.044601 40 149.956009 18 150.0327 20 150.054993 25 153.091339 23 161.043274 243 163.038651 21 164.875534 18 165.016663 49 165.055603 1218 165.270401 18 165.644302 22 165.908112 18 166.058029 110 171.004776 23 177.025803 22 178.020706 20 178.740799 28 179.055527 109 182.95578 19 183.064362 21 184.165619 19 189.067062 20 191.036331 38 196.064484 20 197.139679 18 207.066864 137 209.097229 18 210.988297 29 213.06131 18 217.967178 17 225.006027 18 225.021393 18 225.077682 379 226.080338 40 227.187164 23 229.320984 18 232.972519 20 234.034714 18 235.058411 20 235.729355 18 239.065277 18 240.053864 21 243.185257 35 251.055618 1036.60376 251.101517 20 252.06076 103 253.440887 22 255.895752 17 257.081299 19 259.124054 20 265.038208 19 265.149384 22 267.011963 42 269.066376 207.155228 270.075134 39 277.189117 24 284.070496 18 293.85553 20 296.786102 25 297.148376 25 311.164978 266 312.17981 17 321.061432 38 322.950348 19 326.090424 18 327.10733 37 328.126373 18 329.114319 18 333.021118 20 340.882538 26 369.106934 25 369.159668 19 370.169434 20 371.097076 72 379.105743 20 383.049194 18 384.18924 25 389.11557 21 395.981842 23 399.097015 20 413.181 18 417.118713 23 431.1185 501 432.132294 100 433.132263 63 436.6987 20 440.260956 37 446.092194 18 447.461609 18 458.080139 41 459.112732 1540.550781 459.195801 78 459.26709 18 460.120239 435 460.575256 29 461.118347 167.659119 461.181549 22 461.372803 18 462.114136 38 472.153748 17 492.393097 20 497.151245 22 530.209839 22 536.275269 20 726.414429 20 751.157959 22 909.201904 20 964.645508 18 974.440613 18 977.553345 18 1006.554321 18 1022.114258 19 1022.600586 28 1037.344116 21 1055.694092 24 1073.855225 18 1197.654907 17 END IONS BEGIN IONS FEATURE_ID=73 FEATURELIST_FEATURE_ID=Aligned feature list peak:73 MSLEVEL=2 RTINSECONDS=151.96 PEPMASS=687.54407 CHARGE=-1 FEATURE_MS1_HEIGHT=1.733E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8:533"] SCANS=73 Num peaks=92 66.143692 18 74.276794 23 75.719055 38 78.958801 359 79.28009 26 79.631828 18 84.02227 45 89.726898 19 105.956642 18 128.034454 27 139.287003 22 140.011002 3991 140.516724 18 141.007584 39 141.54393 18 142.018799 20 151.570007 41 155.037216 18 196.044296 118 227.099167 20 227.127151 18 227.198029 41 239.065903 66.566071 240.051407 18 245.783615 18 251.187531 39 253.217133 2290.367432 254.01004 18 254.21904 303 254.633621 18 254.811569 18 255.231339 591.561157 256.235687 21 256.519165 20 258.956543 21 268.315765 18 280.23645 37 280.360626 17 281.246552 117 311.159088 18 312.309875 29 313.622223 18 325.182281 26 351.784424 31 365.219147 52 367.536346 20 424.242401 61 426.968109 20 432.246277 69 432.324585 18 434.253265 18 450.276093 51 452.269379 78 558.289185 18 563.382996 18 642.167969 18 659.513 93.000008 660.514526 56 677.403259 18 678.461853 19 686.473206 131.594788 686.530945 344.405212 686.641785 18 687.187988 18 687.313232 17 687.358948 17 687.441711 25 687.543762 18642.908203 687.673035 24.920263 687.772217 18 688.158875 25 688.487793 1025.402588 688.54657 8824.597656 688.934937 41 689.039795 17 689.322632 23 689.55188 1853.042358 690.492249 97 690.556702 444 690.686584 17 693.510864 21 696.066467 18 697.289429 17 713.536255 20 715.586487 22 729.028259 18 743.608521 18 802.655762 18 947.588501 29 1027.635498 19 1051.753052 31.999998 1082.739014 18 END IONS BEGIN IONS FEATURE_ID=74 FEATURELIST_FEATURE_ID=Aligned feature list peak:74 MSLEVEL=2 RTINSECONDS=153.71 PEPMASS=165.01883 FEATURE_MS1_HEIGHT=5.662E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:603"] SCANS=74 Num peaks=82 67.022003 20 77.038521 1281 78.959862 17 79.956093 99 87.009491 33 89.02108 21 95.126221 18 95.332039 19 97.043869 18 103.892159 17 108.021034 26.000002 108.047226 20 118.99427 23 120.051331 22 121.028969 1437 121.063683 18 122.036682 37 123.043106 82 125.874321 20 136.018967 22 137.02327 40 142.701157 17 152.004181 19 164.698029 24 164.891418 17 165.019791 370 166.016296 39 166.052475 128 168.985794 19 169.019638 18 182.292786 18 182.952957 18 209.045242 18 216.552124 24 219.625961 18 222.536209 24 230.266953 23 230.953033 48 235.05661 23 235.82811 22 246.137177 18 258.074341 30 259.003052 42 269.067535 22 283.013916 20 299.149109 18 300.131866 17 325.188263 29 328.185272 23 332.363037 17 339.204315 18 340.361328 29 343.155975 37 351.071198 17 366.152618 22 381.151337 18 397.091064 20 458.151123 18 478.292542 52 521.199463 36 529.088623 21 544.897217 32 581.203979 18 584.378906 18 657.501282 22 659.504333 35 660.51825 17 687.540283 38 736.159485 21 742.542908 18 743.330383 22 799.487549 26 849.372559 18 977.415955 24 1000.705872 30 1028.77002 18 1035.588013 31 1085.603638 20 1099.720093 21 1123.314575 48 1179.826294 18 1182.748413 22 END IONS BEGIN IONS FEATURE_ID=75 FEATURELIST_FEATURE_ID=Aligned feature list peak:75 MSLEVEL=2 RTINSECONDS=153.73 PEPMASS=659.51243 CHARGE=-1 FEATURE_MS1_HEIGHT=3.139E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8:501"] SCANS=75 Num peaks=110 64.103355 18 73.037956 25 78.96051 685 81.272682 19 84.012489 19 99.243507 20 131.127899 18 136.991837 18 140.011871 5799.975098 140.412292 18 140.932541 20 141.013153 253 142.2603 23 143.06012 18 144.561707 21 144.65213 18 163.022369 35 164.939438 38 165.022171 39 166.056793 18 167.599457 18 226.185532 18 227.209076 20 227.969223 18 229.325241 20 253.215347 121 253.685196 18 254.228668 20 255.229691 35 278.951355 18 279.384644 18 281.244446 18 310.857025 21 311.171295 22 311.293671 55 340.213531 20 354.079559 17 365.21521 98 367.175781 17 367.304321 48 408.040802 19 417.246185 18 433.249847 22 461.358673 20 477.349121 37 540.368591 20 582.248169 18 592.298035 18 598.444458 17 632.494873 27.999998 641.357178 35 645.488892 18 646.667114 25 649.79541 17 649.860352 26 655.471863 42.999996 657.50238 40 657.581604 18 658.435181 18 658.50531 353 659.085144 22 659.136047 26 659.189392 24 659.250366 21 659.33197 21 659.514526 23117.005859 659.643433 36 659.881592 18 660.097778 20 660.518311 10073.335938 660.645081 21 660.821838 18 661.522156 2094 661.934326 20 662.522461 279 663.204041 39 664.65741 18 665.098694 18 666.096191 20 667.310913 18 669.191223 18 670.333557 18 671.973389 20 673.529358 42 687.545227 180 688.502747 18 688.541199 25 701.565918 22 702.56012 24 713.558167 83 715.594177 29 717.527771 18 757.50293 17 775.540283 28 817.424683 44 854.791321 22 858.678894 19 885.249878 17 938.409607 22 955.727478 18 1003.801147 18 1073.03833 22 1084.391602 18 1120.031128 20 1122.012207 18 1140.856934 17 1152.819702 40 1154.808105 17 1154.87793 18 1182.895264 22 END IONS BEGIN IONS FEATURE_ID=76 FEATURELIST_FEATURE_ID=Aligned feature list peak:76 MSLEVEL=2 RTINSECONDS=156.32 PEPMASS=631.48103 CHARGE=-1 FEATURE_MS1_HEIGHT=5.881E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8:586"] SCANS=76 Num peaks=36 78.958801 146 87.572754 20 93.428169 18 126.055016 25 137.037109 18 140.0121 1668 140.410263 20 141.015488 117 144.059296 39 173.085495 18 194.06189 17 227.197372 20 265.15155 44 267.738037 17 281.248688 22 298.159088 31 365.213501 18 368.809692 17 398.233734 20 572.44751 18 588.456482 18 613.109497 20 615.344299 22 630.398987 19 630.47345 592 631.483032 4703.171875 632.032837 17 632.486206 1601 633.3302 20 633.491943 283 634.313477 28 634.496216 111 644.019348 19 667.007568 20 779.445435 18 997.728088 23 END IONS BEGIN IONS FEATURE_ID=77 FEATURELIST_FEATURE_ID=Aligned feature list peak:77 MSLEVEL=2 RTINSECONDS=156.52 PEPMASS=246.13408 CHARGE=-1 FEATURE_MS1_HEIGHT=2.566E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:613"] SCANS=77 Num peaks=207 50.63718 18 52.616627 18 57.034622 18 57.972584 19 60.991596 35 70.962952 20 71.047699 21 72.046844 81 72.995857 25 73.047157 23 74.024391 3547 74.3339 22 75.008858 18 75.027107 117 75.190552 18 75.301102 22 76.521889 20 84.4422 18 85.012344 18 85.031822 18 89.675804 18 93.038239 37 95.051895 92 97.066574 233.599548 97.420471 18 98.02018 44 98.059044 18 98.069862 17 99.046059 34 99.922745 38 100.92868 243 101.004128 24 101.514252 18 101.931358 17 102.022186 26 104.035362 1031 105.039337 54 110.948257 19 111.07576 20 112.036858 26 113.025131 20 113.095909 169 114.947823 121 115.019577 58 116.066055 18 117.021507 30 119.787064 24 120.044945 42 123.080246 369 124.079506 57 125.023132 18 126.088577 26 128.106445 421 128.960007 125 128.996582 19 129.034576 18 129.112289 39 129.939514 23 130.087509 24 132.918289 24 133.663284 18 135.03949 29 138.093964 20 139.077789 20 139.11348 20 139.938095 18 140.072266 17 140.109787 21 141.092224 522.614685 142.094284 34 143.120972 18 143.913467 20 144.574219 24 144.90538 20 144.922714 37 148.040756 34 152.10762 49 153.112366 33 154.120361 143 155.118958 74 155.951126 148 156.103317 224 156.951431 278.49588 157.030624 37 157.108063 35 157.122986 28 157.951706 151 158.118484 19 158.959549 65 159.101242 78 159.88446 35 159.942032 18 160.104919 18 160.95874 18 161.061676 23 161.90921 24 164.110382 17 166.126999 18 169.102036 24 170.075943 38 170.118713 468 170.20726 18 171.028946 19 171.105103 18 171.122513 37 172.035141 20 172.132355 267 173.027267 42 173.126587 18 176.910767 17 179.322708 20 180.041168 36 182.120895 88 182.997818 20 184.13443 2208 185.139328 403 186.134399 18 187.083694 24 191.255081 18 198.111145 162 199.118164 43 200.131546 18 201.123016 20 201.990219 20 202.146805 77 205.939026 17 209.019485 22 210.075607 37 216.050934 20 216.123489 5485 216.172226 23 217.12616 649.915161 218.130951 40 219.127731 39 220.943329 22 221.73822 18 222.115967 20 223.662827 18 223.976929 20 228.126877 18 229.090378 22 231.023682 18 231.074173 48 244.98172 40 245.047531 188 245.11319 20 246.053055 43 246.13443 2711 246.454163 18 247.042206 29 247.071411 18 247.094925 22 247.137924 443 248.030838 20 248.136673 84 249.05838 38 249.148499 57 249.84523 24 250.14624 18 255.10376 18 265.148712 18 267.955231 18 268.086823 18 269.062408 23 311.170135 20 325.188324 31 327.186432 21 331.099945 21 344.224945 29 347.065521 17 351.56604 17 368.055542 18 373.921204 20 399.10553 18 403.104797 36 404.148376 18 409.189026 22 409.968964 17 452.240051 21 467.156464 17 473.005676 26 527.131226 21 583.278931 20 657.499573 21 658.501404 21 659.503235 56 689.544495 20 693.136353 20 713.588257 28 715.537476 18 716.505737 25 721.364197 17 748.376343 18 787.497314 19 824.28949 18 828.353149 17 860.590393 31 872.395264 18 907.676147 20 914.851624 37 967.36853 17 1024.259155 24 1055.130859 18 1088.465332 22 1100.721436 25 1104.944458 17 1171.840576 18 END IONS BEGIN IONS FEATURE_ID=78 FEATURELIST_FEATURE_ID=Aligned feature list peak:78 MSLEVEL=2 RTINSECONDS=157.18 PEPMASS=229.07104 FEATURE_MS1_HEIGHT=9.522E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:623"] SCANS=78 Num peaks=199 54.059654 18 59.01215 17 66.065605 18 69.949707 18 71.433365 18 77.615982 18 81.037033 27 81.068161 35 83.049408 18 83.931198 38 84.926338 18 85.361298 20 87.046013 19 88.252449 22 89.027458 42 92.387985 17 93.045479 17 93.069466 20 94.042175 81 94.952988 19 95.049225 317 96.055855 25 96.958939 18 96.993958 22 97.946365 50 98.952278 55 99.004417 20 99.924629 118 102.952316 18 103.05426 18 105.002022 18 105.069069 58 106.041985 82 106.077652 21 106.192215 18 107.050461 37 108.06144 18 109.065689 181 110.067825 37 111.081245 319 112.079781 18 113.062103 18 114.058044 26 115.004906 47 115.019753 18 116.962051 20 119.032433 20 121.065521 1575.661499 121.725883 18 122.066269 67 123.080505 1315 123.234009 18 124.005608 25 124.053146 36 124.085953 124 125.065536 44 126.94709 47 127.050774 18 127.935547 20 127.959129 62 129.937637 109 131.065414 38 131.757843 20 138.938553 20 138.992096 19 139.039337 47 139.072876 62 139.940018 42 139.954208 60 140.109772 34 140.915283 17 140.953064 40 141.088882 268 141.893845 33 141.934555 364 142.056213 25 142.091522 58 142.940018 110 143.008514 20 143.117737 22 143.949646 36 144.036224 24 144.129196 18 144.961975 18 145.097595 38 147.071259 18 149.060394 20 149.093307 18 150.48941 18 152.007324 21 152.055283 40 153.057495 40 153.956039 18 155.071793 663 155.914978 18 155.95311 206.783691 156.076157 19 156.916733 17 156.956573 53 157.007111 20 157.931656 68 157.958023 18 158.067062 35 158.738922 17 158.887375 62 158.981323 18 159.044846 18 159.09169 18 159.880539 19 160.89032 18 161.047577 18 166.939178 18 167.02298 20 167.071167 2231.647949 167.206604 20 167.549408 20 168.072372 195 169.021378 34 169.081421 17 170.111908 19 171.027893 17 175.016342 21 177.017517 18 181.052277 59 182.988342 42 183.927902 18 184.146988 19 184.25032 22 185.080566 233 185.919205 23 185.963547 46 186.047302 41 186.084045 61 186.929825 18 187.058975 17 187.083679 29 187.110764 92 188.107208 18 193.052551 17 199.062332 180 200.075119 29 201.463409 19 210.91658 25 211.060379 1059.569702 211.912674 32 212.065689 75 213.068863 18 216.44162 19 225.693222 20 228.91713 28 229.070953 1325.135742 229.1194 63 230.072128 228 230.908234 20 231.035278 47 231.068512 47 231.11937 18 231.944153 38 237.039352 22 246.139069 59 265.048798 17 284.038696 21 291.192535 18 309.103699 65 319.830048 18 320.076538 34 326.189941 23 339.200775 50 360.204956 19 403.759644 22 439.122528 37 465.174377 19 476.205902 24 494.214691 22 496.128601 21 515.192139 18 530.287781 18 548.157959 38 579.368774 18 643.465393 17 657.463074 24 659.525208 58 678.335999 18 685.53656 18 689.548035 27 861.346558 20 869.580139 18 885.588867 20 899.293579 18 900.390442 18 957.620667 24 973.392334 26 986.585022 18 993.652893 20 1011.638245 19 1023.275757 18 1031.404175 22 1081.303833 17 1112.463745 18 END IONS BEGIN IONS FEATURE_ID=79 FEATURELIST_FEATURE_ID=Aligned feature list peak:79 MSLEVEL=2 RTINSECONDS=158.73 PEPMASS=215.10301 CHARGE=-1 FEATURE_MS1_HEIGHT=2.351E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:638"] SCANS=79 Num peaks=143 58.028179 38 67.03067 18 72.043968 20 73.507957 17 74.024567 46 82.029068 114 83.032684 20 83.060715 94 84.043976 161 84.06073 19 85.057602 18 86.060165 5006.896484 86.226433 36 86.288567 46 87.043602 129 87.062897 293 88.021461 17 88.038086 17 89.021866 28 92.055389 25 95.336525 18 97.945412 20 99.04454 98 99.076187 17 100.074982 147 100.937225 81 101.003609 20 101.071182 136 105.126228 17 105.777245 20 108.445534 23 109.041267 607 109.069168 18 110.020844 36 110.953255 18 111.012733 18 111.045975 20 111.092522 31 112.079689 83 113.079475 20 113.937721 32 114.027267 19 115.023529 19 115.172462 25 116.923973 59 117.01741 17 117.925827 23 119.013535 23 121.065086 48 124.048363 22 125.028503 39 125.060822 23 125.938118 18 126.056961 102 126.091881 173 126.183083 18 126.931091 120 127.050781 3788 127.076965 20 127.091438 21 127.738441 32 127.885315 20 127.925262 36 128.034866 487.266266 128.057632 148.101501 128.102509 55.442448 128.114792 44.557552 129.038879 34 130.000046 20 132.034531 27 134.013229 28 135.089966 61 138.075104 18 139.075134 240 140.081268 33 141.937088 33 142.056808 38 142.618378 20 142.921021 63.621582 144.058578 18 145.061478 788.842285 145.645309 20 146.064407 78 146.409119 19 147.061295 17 148.985077 35 150.8974 25 152.361465 18 152.477524 25 153.102951 6294 153.164139 32 153.286133 21 154.103867 518.256653 154.228271 18 155.109451 67 161.891235 18 167.054565 21 169.941864 18 170.089783 17 170.938202 18 171.113663 379.261749 172.110153 18 173.020126 18 175.036133 20 176.058167 20 183.066666 41 183.846786 24 183.861206 17 197.092422 2402 197.812195 23 198.095627 344.280853 199.09639 41 199.843384 18 200.065857 17 200.1008 26 200.167648 18 201.844925 18 202.023911 18 213.949646 18 214.053131 20 214.073898 20 214.94519 36 215.06163 117 215.103104 3380 215.363129 18 215.8479 18 216.10553 532.53302 217.024811 20 217.109726 36 219.028778 20 251.114517 32 271.42395 20 276.761108 18 330.268341 20 528.124756 21 540.379456 30 558.56311 24 590.210388 25 658.50592 18 674.534241 29 687.533875 17 1068.678467 33 1180.683228 20 END IONS BEGIN IONS FEATURE_ID=80 FEATURELIST_FEATURE_ID=Aligned feature list peak:80 MSLEVEL=2 RTINSECONDS=158.91 PEPMASS=365.16332 FEATURE_MS1_HEIGHT=7.745E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8:480"] SCANS=80 Num peaks=100 50.396465 22 63.733475 27 64.003723 22 71.010773 72 73.397583 20 80.964233 3666.485107 81.159363 23 81.966446 22 82.838715 20 82.960953 148 87.825981 18 90.988205 46 100.930275 22 103.892891 18 112.986664 20 116.653214 20 133.05864 26 133.755768 18 134.975174 249.76918 135.083191 21 137.212341 21 139.354462 30 140.894806 21 140.938278 20 141.894882 36 146.964706 20 150.928696 42 152.982559 44 154.982208 44 157.15686 20 162.836563 28 165.987579 40 167.459702 20 171.433243 17 175.924637 22 178.964874 84 179.967178 48 197.951492 18 198.87735 22 201.021866 19 204.830475 27 205.943253 18 211.207336 25 213.276688 18 216.873779 20 222.985336 20 223.048279 22 231.026672 23 231.964066 27 235.129395 22 239.20282 29 248.964752 18 250.028687 25 258.041565 18 265.868805 22 269.214722 21 270.871002 31 272.638489 29 272.924164 17 273.846893 18 282.099518 28 283.190887 24 285.116241 18 290.95816 18 292.892761 23 296.124207 36 297.168213 36 321.175201 940 322.150055 18 322.178558 78 323.177856 136.973724 324.177124 25 328.774323 18 330.09494 17 333.138214 18 345.978699 19 346.838654 22 351.138428 22 364.110291 25 364.891815 18 365.163971 1770 365.246277 18 366.168488 236 366.912048 17 367.155121 103 367.340393 18 368.181549 58 368.2146 32 400.99469 17 414.830902 19 432.429962 18 565.250732 27 624.548218 19 660.524475 18 704.000793 18 901.500244 18 987.65509 18 1096.749634 18 1128.651978 23 1161.531494 20 END IONS BEGIN IONS FEATURE_ID=81 FEATURELIST_FEATURE_ID=Aligned feature list peak:81 MSLEVEL=2 RTINSECONDS=159.77 PEPMASS=187.0411 CHARGE=-1 FEATURE_MS1_HEIGHT=1.105E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8:630"] SCANS=81 Num peaks=115 54.861134 19 55.746941 22 55.788448 18 56.236874 22 57.88451 17 65.0354 19 68.853249 18 71.013405 250 72.966888 18 72.990311 18 82.24099 18 84.656914 18 85.027534 30 87.004791 134 89.025116 30 90.674904 18 93.880707 18 98.524635 18 99.532631 31 100.933647 66 100.969994 18 101.003578 18 101.308121 18 102.0056 32 103.860321 50 105.005157 22 106.957558 24 109.771988 21 111.007706 18 114.025253 1204.084839 115.020348 6847.495605 115.063675 21 115.801262 17 115.854774 23 115.876144 18 115.925941 27 116.02211 213 116.836288 28 116.963554 22 117.027534 60 124.966904 20 125.027084 115 125.097771 22 126.626335 28 135.334763 18 140.918289 21 141.934692 20 142.966263 19 143.015549 20 143.04892 37 143.07486 20 144.013458 18 144.052002 22 144.957581 35 145.01207 18 145.895477 20 145.955566 18 153.473343 29 157.507294 23 158.041656 22 159.896454 18 160.690979 17 160.888779 18 166.846375 28 170.007858 37 171.009903 45 180.231064 20 184.302216 18 186.044052 778 186.11412 19 187.041321 5314.233887 187.096222 23 187.415955 18 188.02298 91.78347 188.045792 419.216522 189.017227 103 189.041916 86.338516 189.060822 67.740036 189.109589 17 189.887283 20 190.026138 17 190.047714 23.724464 190.064026 43.275536 199.309174 50 208.367691 18 219.856567 17 222.368454 21 226.265732 17 228.058121 29 284.482666 17 291.853973 18 351.419098 17 384.109619 31 396.636414 20 424.624207 19 425.059113 26 436.283417 18 464.062958 21 469.218658 17 490.401367 20 500.092377 20 510.201233 18 516.147156 18 638.150391 18 639.96167 24 764.655762 17 859.892212 23 907.180603 18 1046.976196 26 1061.638672 34 1089.679321 18 1092.5271 20 1104.610107 17 1122.304688 18 1199.322266 23 END IONS BEGIN IONS FEATURE_ID=82 FEATURELIST_FEATURE_ID=Aligned feature list peak:82 MSLEVEL=2 RTINSECONDS=160.84 PEPMASS=115.02029 FEATURE_MS1_HEIGHT=5.014E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:674"] SCANS=82 Num peaks=37 63.014889 18 63.044365 21 65.834099 18 76.797783 18 98.487144 22 99.923607 142 100.012856 20 100.927612 43 109.724876 21 110.022667 41 114.024246 86 115.020988 328 115.917923 170 116.929893 140 117.016731 19 117.922958 20 128.433609 22 138.802261 22 148.79689 22 160.347458 21 167.46489 27 174.464005 21 187.489182 18 228.326889 30 279.995544 44 303.998108 25 335.100861 18 358.631714 34 367.357117 29 382.010284 20 474.426422 18 533.762146 24 559.945496 24 607.818848 20 727.412842 20 811.489624 20 878.064575 18 END IONS BEGIN IONS FEATURE_ID=83 FEATURELIST_FEATURE_ID=Aligned feature list peak:83 MSLEVEL=2 RTINSECONDS=160.84 PEPMASS=463.10876 FEATURE_MS1_HEIGHT=5.817E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:660"] SCANS=83 Num peaks=164 59.01334 117 71.013969 167 73.033829 47 75.008194 36 87.012993 46 87.033379 17 89.023689 232 92.898682 18 95.054733 56 96.955025 20 100.008095 18 101.026024 397.254974 105.034737 46 109.026543 42 111.011559 19 113.02285 106 114.028198 24 115.020714 20 115.709969 24 117.023033 18 119.034714 224 121.028557 80 122.03067 22 123.006569 60 125.022598 22 125.866798 31 128.028839 18 130.016907 20 131.048401 34 132.020828 19 133.025925 17 135.026718 25 137.020538 70 139.039001 38 140.249954 25 143.036133 112 147.040375 34 149.024597 218 149.04863 40 149.549423 44 150.965622 18 151.040649 100 151.079422 22 151.390381 22 152.005432 30 153.018738 253 155.03067 17 160.738968 18 161.025009 154.459976 161.052307 21.66922 161.585236 23 162.027252 46 162.338257 17 165.055878 36 167.032516 133 169.048431 19 173.022858 22 175.00296 39 175.038071 27 177.019653 387 179.033661 60 179.055649 118 183.030136 19 183.250519 18 187.034821 17 190.011246 27 190.055115 19 190.996414 18 191.032623 58 193.014145 77 193.050598 91 195.027725 102 195.060806 20 202.998978 21 203.020432 26 204.035278 18 205.012985 1272 205.051514 56 206.016922 175 206.060898 41 206.165268 18 207.018204 58 208.045654 65 209.045593 110.713974 210.054214 46 211.057877 36 215.097046 21 217.072098 41 219.028641 133 220.029846 62 221.072601 20 223.025543 294 225.041794 20 227.058548 65 231.031906 43 231.138443 24 233.056503 20 234.913834 24 234.990143 22 236.034698 30 237.042908 290 238.03981 28 239.054352 46 242.01741 19 246.06514 21 251.058823 20 252.062012 20 254.075745 19 255.050064 1205 256.054962 102.999992 257.059906 39 261.03949 21 265.031158 26 276.062256 26 279.050079 45 281.255768 30 283.076569 20 291.154449 30 297.057281 185 298.022125 20 298.064667 20 307.058807 18 309.065186 32 311.135742 17 317.061005 18 318.996399 21 321.071716 20 323.676361 18 327.045959 18 328.022614 18 343.445312 18 344.063751 30 346.060974 18 349.014709 18 349.061554 20 356.981049 18 358.086578 18 361.055237 18 363.964264 22 371.925751 17 373.03537 21 376.847656 18 385.06546 18 386.077911 17 388.693634 20 399.079437 20 401.075775 20 403.027344 20 411.153107 17 417.104095 131 418.96701 18 420.110565 21 423.001404 30.999998 443.084259 18 444.087097 43 445.025513 19 445.081696 18 447.075562 21 449.043854 21 463.110687 43 464.064636 21 465.102295 18 465.170959 18 466.296478 24 END IONS BEGIN IONS FEATURE_ID=84 FEATURELIST_FEATURE_ID=Aligned feature list peak:84 MSLEVEL=2 RTINSECONDS=162.12 PEPMASS=194.04523 FEATURE_MS1_HEIGHT=1.027E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8:591"] SCANS=84 Num peaks=210 50.87006 18 50.964668 19 52.515686 23 56.00135 29.827425 56.011806 55.19009 56.737125 32 58.951298 25 60.474422 24 60.675713 18 61.5158 17 62.130295 31 63.727482 28 67.020607 17 67.288857 24 68.227875 85 72.224266 18 73.066681 22 74.008736 22 74.023865 1184 74.519073 18 75.022079 20 75.03038 62.839615 75.639328 23 75.979584 31 76.739441 31 77.038422 37 78.034256 36 79.530739 17 79.958221 29 80.431137 22 81.213684 18 81.816757 31 82.612526 18 83.007439 24 83.287575 34 84.144295 19 84.299103 18 84.818047 18 85.820709 23 93.034126 3385.897217 94.036118 81 94.514099 20 95.062805 18 97.453865 28 99.200958 20 99.864792 22 100.003242 3242.600586 101.007561 179 101.58284 18 102.337891 28 103.01152 23 105.033554 36 108.109818 23 109.06321 18 112.298218 25 115.016449 18 115.313728 17 116.570602 20 116.924828 22 117.008789 108 117.034752 18 118.0308 59 119.010513 24 119.037682 45 121.059044 18 122.692383 18 123.045502 57 123.978752 18 124.054398 40 125.050308 18 129.81604 20 129.953156 18 131.020172 23 131.037827 20 132.007278 26 132.046005 176 132.86705 18 132.989792 17 133.001526 36 135.009171 37 135.31636 24 136.990997 21 137.025024 18 137.999191 18 138.485397 17 138.853012 20 147.336227 18 148.03981 193 149.910095 20 150.055374 712.441223 151.059708 54 153.097321 18 157.420227 21 157.676498 19 158.976562 20 161.358139 17 161.950333 22 163.457565 31 165.872543 23 166.801773 18 167.030426 30 167.066605 18 174.68251 20 175.027359 46 176.035721 18 176.210953 21 176.896744 35 177.000519 17 179.013458 25 182.015442 21 183.006134 20 183.931259 22 185.756241 26 188.903564 26 193.020874 35 193.085342 78 194.045059 542.081848 194.076187 97 195.023987 113 195.044769 107 195.068756 38 196.055832 18 197.03923 18 197.060181 28 200.290359 23 204.044601 26 216.365768 39 219.563644 18 227.161148 18 228.086243 18 240.051743 18 249.048096 18 251.857849 29.000002 257.902161 25 261.691895 23 264.906189 17 277.848663 37 279.201996 19 281.770538 18 288.175903 20 290.710449 23 292.563171 25 295.069061 25 297.157684 17 299.370697 21 304.792572 20 306.475067 28 318.064392 20 320.04718 19 329.088989 18 336.014374 19 339.196167 23 361.183411 17 373.056702 21 379.525085 18 380.53009 25 385.638397 18 389.692688 23 407.117126 17 417.088135 18 417.71524 26 423.017181 77 445.21814 21 457.318604 18 468.696503 23 478.302765 28.000002 482.956268 22 501.134918 35 508.797089 18 509.705048 18 516.094482 25 540.134155 26 585.227905 19 601.432373 18 622.019714 48 630.467834 25 636.168091 18 645.218018 29 656.09491 23 656.177856 22 657.497437 24 658.500061 20 688.496826 20 713.186218 21 718.543335 25 729.560547 25 739.047241 28 740.87616 20 764.225403 19 810.307251 20 822.202515 20 852.481628 25 856.493652 20 862.087708 29 862.690308 18 909.290894 21 993.207031 22 1031.535645 21 1063.318604 20 1064.381958 18 1080.621094 22 1081.061523 20 1101.527954 22 1107.270752 31 1110.156616 33 1136.173096 28 1146.633057 22 1174.070068 22 1178.28064 19 1188.089233 43 END IONS BEGIN IONS FEATURE_ID=85 FEATURELIST_FEATURE_ID=Aligned feature list peak:85 MSLEVEL=2 RTINSECONDS=162.21 PEPMASS=191.07267 CHARGE=-1 FEATURE_MS1_HEIGHT=1.323E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8:575"] SCANS=85 Num peaks=149 50.108822 22 58.698616 29 58.995552 31 59.011768 110 60.016872 29 61.00993 58 61.895374 18 64.35276 35 66.310867 18 68.151955 25 71.012932 587 71.115631 23 71.345337 18 72.018211 23 73.016418 17 74.02327 258 79.952751 18 80.964699 89 81.031281 22 82.158607 18 82.595749 18 82.822121 18 84.005463 23 84.885216 32 85.009529 18 85.028664 65 87.006691 19 88.014435 28 89.021996 168 90.032234 24 93.034836 724.558838 94.036217 28 95.028152 24 96.5 23 97.033012 54 97.706726 21 98.030067 125 99.012421 20 99.022919 53 100.00351 531 100.046364 126 100.066185 26 100.684319 18 100.931564 107 101.04171 475 101.9338 22 102.928413 17 102.965904 18 103.052391 18 105.034714 18 107.658165 22 110.188927 22 111.007294 76 112.040245 25 114.326378 18 114.999138 17 115.020477 108.53933 115.037491 36.46067 115.735687 18 116.039909 1435.996216 116.923157 18 116.971756 18 117.036194 6809.96582 117.311806 18 117.428101 17 117.704803 18 117.866508 19 117.92543 18 118.041748 447.001709 118.981834 27 119.038536 77 119.112793 25 120.011444 18 122.116753 34 128.990768 31 129.016861 18 129.878891 18 130.021606 47.163227 131.014786 17 132.043518 25 132.997375 70 133.05043 18 135.045334 18 138.224014 19 144.013214 20 144.8871 29 145.019775 41 146.033783 19 146.06604 18 147.033813 35 147.889801 20 150.054718 109 152.856171 22 159.049393 31 160.056656 36 162.412201 18 166.263672 22 173.063187 96 174.862213 25 175.019104 44 176.551376 20 176.896667 18 177.00116 38 177.053864 19 180.238068 20 190.075409 1611.868774 191.02037 131.882111 191.038193 64.117897 191.072891 5472 192.001251 24 192.07872 478 192.385849 19 193.029282 40 193.054245 37 193.08432 162 194.044098 120.238358 194.075043 24 194.097107 18 195.027573 17 195.052307 17 195.076874 24 198.184082 22 208.909515 30 213.330521 25.000002 217.8685 18 222.298523 20 223.275208 20 233.826187 23 242.131912 20 252.369949 17 254.19194 23 261.516754 22 295.760468 22 307.493408 24 311.400696 21 321.564209 33 390.675201 17 401.714966 18 404.606232 18 412.055573 24 440.491516 18 486.987213 18 542.343323 22 575.629761 18 601.433411 18 689.47168 18 783.185669 19 865.205688 19 998.650391 22 END IONS BEGIN IONS FEATURE_ID=86 FEATURELIST_FEATURE_ID=Aligned feature list peak:86 MSLEVEL=2 RTINSECONDS=162.23 PEPMASS=189.05613 CHARGE=-1 FEATURE_MS1_HEIGHT=1.237E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8:568"] SCANS=86 Num peaks=153 50.209675 18 53.846085 21 55.16378 19 56.404854 24 56.965439 18 57.38562 37 59.015266 37 60.011688 17 61.010464 18 61.260036 22 67.176109 29 69.033417 18 69.373634 36 69.977715 30 71.012444 483.684998 71.465767 22 72.013634 37 77.272415 20 79.953163 18 80.559143 20 80.962135 17 82.135658 22 85.005867 17 87.007256 116 88.002632 18 89.023964 756 91.040199 18 94.111023 19 95.051323 20 95.716667 28 96.458321 19 96.520996 22 98.029488 18 99.021301 67 99.92688 48 99.998169 24 100.04734 83 100.93544 57 101.041 202 101.93309 18 101.952232 35 102.947922 26 104.104645 18 104.718323 34 105.014702 20 109.36335 19 110.590134 18 111.008278 163 113.021782 18 114.02095 223 115.021027 1893.070679 115.338608 26 116.039391 1083.69873 116.931519 20 117.036446 4835 117.367851 22 117.514992 22 117.593742 22 118.037148 221 123.54158 18 126.021034 18 126.85788 20 127.024811 22 129.012634 17 129.284134 21 129.937759 24 130.019485 22 131.162704 20 132.890839 18 135.497726 17 141.93103 18 142.034271 52 143.036163 287 143.09938 18 143.927292 40 145.028152 89 145.067947 18 145.931702 21 146.898819 17 147.007065 18 147.830109 19 149.045685 18 150.686432 22 159.380173 18 159.891815 18 160.048248 20 161.040009 58 162.892502 18 163.034454 49 168.490723 19 176.743729 18 179.751297 21 180.011978 18 188.036606 145.538376 188.060959 731.461609 188.088913 18.614296 188.505814 26 189.05658 3616.77002 190.072739 834 191.013199 17 191.072235 3017.857422 191.309448 22 192.076935 316 192.995712 18 193.499771 18 204.676208 22 207.528793 21 209.062119 26 214.606033 19 219.320801 23 224.029587 18 231.066025 18 231.857101 18 233.967468 24 241.889847 19 249.28064 29 249.72522 28 253.002045 31 267.093323 20 267.809235 18 275.710815 26.999998 294.792389 20 301.468567 17 308.401459 18 328.493927 18 337.733032 20 356.387787 24 361.364502 18 373.045135 19 374.999695 20 406.169037 18 423.539764 29 446.413544 20 451.288727 20 472.612579 23 487.533905 18 550.605042 29 563.494324 18 634.809265 18 668.644348 20 687.55896 34 717.553955 18 771.373474 20 854.654907 18 908.138245 18 917.602234 17 941.212097 18 1112.44104 18 1115.636719 20 1160.691162 18 1162.450928 25 1176.612549 19 1196.568359 24 END IONS BEGIN IONS FEATURE_ID=87 FEATURELIST_FEATURE_ID=Aligned feature list peak:87 MSLEVEL=2 RTINSECONDS=162.28 PEPMASS=205.0496 CHARGE=-1 FEATURE_MS1_HEIGHT=8.422E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8:618"] SCANS=87 Num peaks=197 52.242748 20 54.033623 18 55.573555 25 59.375298 40 59.415936 22 59.502033 18 60.077152 19 64.42337 21 64.487755 18 65.266838 20 66.013519 24 67.018112 19 67.970055 35 71.901726 87 73.010384 19 76.035431 37 76.896484 18 78.147186 20 79.215942 21 80.960556 18 81.268112 18 85.47229 20 85.950882 23 86.011055 181 86.289703 28 87.006157 616.728455 87.041702 18 88.008247 17 88.769745 27 88.9571 18 89.001411 37 89.728348 18 99.925896 21 100.209427 20 100.559937 26 105.006477 21 110.028091 22 110.06134 18 110.886406 20 112.006462 622 112.146751 18 113.002441 1145 113.571739 18 114.001877 56 115.000481 111.491859 115.0158 51.508141 116.731697 28 116.927284 160 117.032173 78 117.073723 20 117.927971 18 119.92424 18 120.475441 18 122.039749 26 128.088287 26 129.01857 20 129.132248 17 130.01683 3641.646973 130.041412 18.173784 130.882782 21 130.932678 38 131.01326 7013.354004 131.045609 18 131.251465 18 132.019104 325 132.367554 18 132.516647 18 132.880844 18 133.006302 71.872055 133.02002 60.127945 133.212067 27 133.248459 19 133.66774 23 134.098328 20 134.818481 25 135.482178 26 135.794952 18 136.09285 17 136.99028 19 140.335754 18 140.927216 19 141.920746 19 141.961761 22 142.923355 327 143.444153 18 143.929047 101 143.984344 20 144.011627 35 147.195816 24 152.818054 18 155.581375 32 155.64476 18 157.013718 17 157.4617 20 157.821564 17 158.012024 5217.490234 158.036713 42.11834 158.156052 18 158.82959 18 158.936142 18 158.976578 23 159.008469 8762.90625 159.576569 18 159.740326 18 159.935211 18 160.015427 294.668793 160.936935 161 161.020004 335 161.097641 20 161.688797 24 162.052338 18 162.573441 20 162.973328 18 163.031708 49 163.074493 17 164.64032 20 164.983841 20 166.027832 17 172.624298 29 173.640274 23 174.972748 18 177.027695 18 179.03363 36 180.921112 18 184.339447 22 186.042801 18 186.517059 18 187.039017 115 188.486771 17 188.987244 18 189.024429 18 189.987427 20 192.007965 21 193.049805 20 196.338425 24 196.417328 18 196.744751 29 201.060349 18 202.083374 18 203.943375 17 204.017532 526 204.051315 592 204.079132 20 204.942947 54 205.014511 667.326233 205.050964 1224.673706 206.049652 243 207.019089 135.700699 207.047958 85.560204 207.987442 18 208.015381 17 209.044556 40 211.58754 18 212.434128 18 215.686722 20 216.595337 18 221.055695 27 223.35582 22 227.441589 22 232.692825 17 237.117279 17 238.490646 19 244.368423 18 249.340607 18 251.605606 17 261.063202 21 266.540771 24 273.078979 18 276.0979 22 280.404022 18 284.67514 18 296.643005 34 308.711823 20 317.479492 18 326.981476 19 371.082123 18 381.685852 24 387.577728 32 402.641998 18 446.038177 18 447.316284 18 452.956726 18 474.847839 27 481.799866 52 522.892456 23 538.271545 19 545.373535 24 586.927734 18 601.102417 20 659.217163 22 770.04425 18 804.575745 36 1111.52771 20 1113.290771 35 1147.2323 18 1150.589233 42 1151.340942 17 END IONS BEGIN IONS FEATURE_ID=88 FEATURELIST_FEATURE_ID=Aligned feature list peak:88 MSLEVEL=2 RTINSECONDS=162.58 PEPMASS=478.29336 CHARGE=-1 FEATURE_MS1_HEIGHT=9.688E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8:604"] SCANS=88 Num peaks=237 51.029808 36 52.265484 20 52.921539 18 58.086197 33 59.956566 18 60.373775 18 64.791351 17 69.078842 18 70.981285 18 72.823112 18 78.052322 22 78.197296 18 84.691719 18 87.066994 22 87.252747 47 89.325089 23 90.139259 21 92.337471 22 92.734665 21 92.879883 39 93.605301 20 94.707314 24 96.742691 19 96.960846 35 97.01107 18 97.333862 18 98.356728 24 100.620117 30 102.73111 18 102.896927 19 103.141151 24 105.911438 19 106.244797 27 107.451866 32 107.6203 19 109.543114 31 114.024704 25 115.041252 23 115.755379 18 116.936691 25 117.037201 19 119.513596 23 126.285698 29 127.04879 20 129.801437 31 130.989288 22 133.028259 18 138.42009 23 140.011734 129 141.157761 17 141.900345 18 142.015167 20 143.037277 48 143.52887 18 148.845078 20 150.673904 28 151.588135 18 152.066666 18 152.995316 20 155.031662 19 156.026321 18 157.924057 24 162.163834 17 173.025192 36 174.02417 25 176.726273 18 177.036514 19 186.10463 24 187.042511 18 194.037369 17 195.035416 32 196.0401 199 197.029999 26 202.210464 18 202.684982 18 205.011246 18 205.053711 20 207.821686 34 211.311371 18 213.037277 19 214.049927 330 214.438889 23 215.062576 81 215.301697 18 217.674057 20 218.035172 26 228.981659 29 231.069138 19 232.931259 18 232.990952 21 233.049377 18 237.920883 23 242.040802 22 243.858765 25 245.039291 18 245.927475 18 253.676453 24 263.411011 18 265.147736 42 276.185455 21 277.102142 18 277.157501 17 277.99469 18 279.233582 77 279.291992 20 280.235687 94.167381 280.254425 47.771626 281.053894 20 281.248169 14647.868164 281.292328 24 282.251862 3330 282.711823 24 282.972412 29 283.253845 378 283.39621 18 285.074158 18 285.210541 18 286.075104 20 286.326263 22 289.049164 18 290.012268 18 290.156006 20 293.073334 18 299.675201 17 302.507538 18 303.997284 18 305.56369 28 310.958801 41 317.239136 17 325.190613 62 329.087463 18 335.912933 20 337.068634 18 340.080231 20 346.046997 18 347.047729 23 351.650085 20 352.511261 17 354.435974 26 358.020721 20 358.950714 28 359.065369 17 360.945343 18 361.017639 24 361.069122 41 361.989716 20 364.042694 22 379.027924 24 381.375549 24 382.059845 18 386.119934 48 387.041077 21 387.09845 46 390.838562 18 397.024658 20 431.114044 17 435.098389 41 443.936676 20 444.045319 17 459.109009 20 459.459015 22 460.07016 17 461.032776 46 463.084259 20 464.005249 17 469.248657 24 475.484497 18 477.017578 17 478.136658 18 478.293579 2120 478.606323 24 479.298889 521 479.346985 25.757109 480.07312 19 480.308899 107 481.228973 31 482.081757 23 483.105255 21 484.072937 18 488.113739 34 491.287567 18 500.128998 18 522.399719 18 547.132019 25 577.328918 18 603.588562 17 626.126038 28 627.445496 20 628.326538 22 643.19165 35 659.514587 19 664.114075 19 688.478394 41 688.550659 17 690.486145 27 693.506287 18 695.30542 18 704.554077 18 728.595215 18 745.77594 23 755.16217 18 773.523376 26 825.536011 20 834.097229 18 846.516541 19 847.076477 18 850.319031 22 868.096924 21 877.476013 22 887.62207 21 895.117676 18 900.013428 20 918.138 19 931.220398 19 931.411133 21 942.637512 19 943.505676 28.000002 952.349731 32 972.544922 18 982.345642 18 989.84967 18 1006.881042 22 1019.992859 41 1045.286499 32 1050.725464 18 1054.504395 18 1057.500854 36 1073.621948 21 1075.915527 18 1081.190308 36 1090.69519 20 1098.567383 17 1127.545044 26 1151.279907 20 1161.946411 20 1167.653564 20 1192.541504 20 END IONS BEGIN IONS FEATURE_ID=89 FEATURELIST_FEATURE_ID=Aligned feature list peak:89 MSLEVEL=2 RTINSECONDS=162.93 PEPMASS=245.04648 CHARGE=-1 FEATURE_MS1_HEIGHT=9.424E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:684"] SCANS=89 Num peaks=162 57.035873 17 60.014061 19 61.008545 17 61.522373 47 71.012741 209 72.637497 18 72.99379 80 78.958443 18 83.01104 18 84.015198 267 84.044487 23 85.010437 635.099426 86.005264 41 87.006607 228 89.026772 67 91.028709 19 91.037758 18 97.009201 19 98.955467 18 99.00515 18 99.924545 42 100.00528 20 100.933548 39 101.005058 55.000004 104.035484 29 105.014725 41 109.026054 22 110.684181 19 111.009666 18 111.033257 17 111.956764 20 112.005981 78 112.949471 22 113.003036 132 114.023331 1661 115.02047 8083.648926 115.576576 18 116.023209 516.184387 116.999229 21 117.026482 57 120.799759 20 124.750259 19 126.026932 21 127.019798 38 127.952072 74 128.021866 18 129.017609 112.178734 129.030731 92.821266 130.016388 510 131.01329 764 131.092194 29 132.009216 19 133.029968 20 139.044754 34 141.930374 20 143.067093 20 143.922211 33 144.016281 26 145.012497 16.140945 145.031158 113.859055 146.034149 24 147.028 76 148.029022 40 148.042053 22 148.897125 18 149.025574 71 150.69931 20 152.979645 20 153.942978 18 154.022141 74 155.016464 261 155.952606 198 156.014771 342.502197 156.034851 58.497795 156.541962 38 156.952316 140 157.01181 372.74411 157.031967 113.25589 157.950409 28 158.012024 77.43148 158.050018 59 159.023895 34.153637 159.046677 278.846375 159.943619 25 159.959412 18 170.024475 18 170.615128 18 171.049164 37 171.947754 18 172.02803 306 172.999664 18 173.026062 1144 173.060638 22 174.025284 435 174.145142 36 174.427658 19 174.99408 18 175.022751 258.447205 176.029053 20 180.92453 23 183.031662 33 183.94548 21 184.131653 25 184.996536 22 185.061218 18 185.366638 19 186.048813 17 187.040344 229 188.047226 17 188.065536 48 198.01236 18 198.953354 18 199.023285 223.000015 199.06134 20 200.02507 265 201.021713 686.10498 201.940674 27 202.018646 1079.966553 202.038742 1088.545288 203.033463 1587.963745 204.034409 143 205.94426 36 208.737686 24 216.037796 23 217.039886 129 218.035889 90 219.02861 220 227.050446 21 228.068069 22 229.047577 26 230.053207 17 231.043869 18 244.049988 455.798096 244.090179 59 245.046219 2963.70874 245.103882 23 245.140518 18 245.908951 17 245.994217 24.940012 246.050919 564.939636 246.066681 300.018524 247.043076 490.350769 247.065338 526.962708 247.108047 42 248.055557 38 248.581955 23 249.038284 44 284.125214 18 314.477417 18 321.934937 18 327.980835 23 333.038818 24 341.10968 24 410.656464 22 484.399902 22 485.365723 19 513.215332 20 528.159424 19 587.239075 20 610.413025 26 638.459229 20 1091.453491 18 END IONS BEGIN IONS FEATURE_ID=90 FEATURELIST_FEATURE_ID=Aligned feature list peak:90 MSLEVEL=2 RTINSECONDS=163.09 PEPMASS=217.03283 CHARGE=-1 FEATURE_MS1_HEIGHT=6.847E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:685"] SCANS=90 Num peaks=102 70.030663 21 74.02256 55 83.013268 53 85.009766 119 85.944885 20 86.009644 75 86.060913 48 87.005333 199 87.048744 27 99.928375 25 100.010353 17 100.039665 18 100.931526 20 101.004906 95 102.003822 20 102.055389 21 102.932831 17 102.995377 50.141148 103.006592 20.858852 104.033859 20 110.028564 39 111.007652 297 111.026779 135 112.00444 41 112.023804 18 112.044151 22 113.002647 20 113.028442 20 114.027786 51 114.325233 21 115.001106 18 115.019081 196 116.033356 40 126.931679 22 127.049049 17 131.011658 44 131.066025 18 137.056839 18 138.017487 19 138.090576 20 142.032776 20 154.020859 42 155.014633 287 155.039215 17 156.017288 41 157.011353 36.152008 157.026474 20 158.030838 18 158.047607 25 158.064713 22 159.024673 36 170.080765 20 171.002869 20 171.468155 26 172.005066 17 172.02919 96 173.028046 442 173.240265 17 174.005753 35.393154 174.024826 103.60685 175.022263 72 176.044708 19 177.053604 18 184.024887 18 188.092575 38 189.014404 24 189.040588 36 189.621796 24 190.029068 35 190.060303 19 198.019699 18 198.954315 18 199.020126 84 201.016174 42 201.034973 66 201.853836 18 202.034424 55 203.036575 68 204.032913 18 210.445007 18 216.037201 364 216.084427 20 216.16156 24 216.400345 18 216.554947 19 216.960022 17 217.005051 28.019005 217.032516 1149.964111 217.074478 79 218.032043 611 218.611237 19 219.027679 654 219.068008 18 219.111404 20 220.028702 81 240.988861 18 327.103851 18 361.316193 17 382.919922 20 413.856537 20 486.355164 18 1039.805786 18 END IONS BEGIN IONS FEATURE_ID=91 FEATURELIST_FEATURE_ID=Aligned feature list peak:91 MSLEVEL=2 RTINSECONDS=163.09 PEPMASS=261.04063 CHARGE=-1 FEATURE_MS1_HEIGHT=5.575E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:675"] SCANS=91 Num peaks=155 61.011547 24 63.096619 17 75.39666 18 78.578926 17 84.015442 20 85.010651 155 85.030457 103 85.731949 19 86.009773 52 87.005508 61 88.89576 33 89.003601 18 89.023987 226 91.041557 28 91.052437 23 95.011902 17 95.048424 20 96.96064 38 99.006424 44 99.042946 18 99.925865 22 100.004295 67 101.00721 168.109955 101.023308 20 104.017883 40.811024 104.030258 24 105.017128 18 109.06665 28 111.008095 724.309631 111.026138 86.690338 112.008102 76 112.986656 20 113.000946 24 114.021873 202 115.020538 683 115.332558 21 116.042007 22 116.924904 18 117.030502 18 118.997803 25 123.078323 18 128.018204 40 129.01889 375 129.954071 20 130.016373 1279 130.986221 18 131.012665 1475.861816 131.035706 21 131.148636 17 132.011047 142 133.009705 45 133.029022 18 137.063034 41 139.018265 18 140.0298 19 141.93483 18 142.030792 23 142.924194 45 143.905472 48 143.923141 46 143.959518 22 144.013443 96 144.034164 77 145.011459 159.645584 145.028305 177.799072 145.059494 18 145.930908 18 146.03363 50 147.034897 22 147.044235 51.398151 148.027664 92 149.034592 22 149.057327 20 151.077347 44 152.7052 18 154.016602 22 155.017868 254 155.065659 17 156.031281 25 157.017517 38 157.961945 18 159.022446 20 159.893036 18 161.046951 31 162.892624 34 163.98439 19 165.062286 18 171.024292 18 172.025497 22 173.025803 322 173.931335 17 174.032272 75 174.963699 28 175.018982 56 175.207428 20 179.066513 22 186.039871 19 186.8806 17 187.037247 78 190.073212 22 190.882309 19 198.026154 295.56134 198.948013 18 199.021698 683.181458 199.073624 24 200.030228 88 201.029633 63 201.062912 20 202.051163 37 212.35849 21 215.031647 80.604088 215.054352 220.39592 215.926865 18 216.039017 229 216.06459 38 216.958786 38 217.032455 858.021423 217.061661 51.604744 218.029221 362 218.154114 28 218.303375 18 218.916412 18 219.026886 434 220.030182 45 220.094345 18 221.039322 30 233.046036 33 234.925323 56.076187 241.373245 18 242.028305 106 243.031677 217 243.085083 48.661266 244.02655 144.7948 244.049957 71 245.042969 71 246.025162 17 260.043518 461 260.082397 20 260.158813 19 260.815186 23 261.039032 1094.986328 261.226624 18 262.036743 203 262.078186 18 263.035797 157 263.084259 41 264.033844 25 264.127167 20 264.154266 19 265.147797 40 274.275208 19 325.222809 18 342.191315 19 517.628052 18 747.079773 19 END IONS BEGIN IONS FEATURE_ID=92 FEATURELIST_FEATURE_ID=Aligned feature list peak:92 MSLEVEL=2 RTINSECONDS=163.21 PEPMASS=173.02577 CHARGE=-1 FEATURE_MS1_HEIGHT=8.624E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:683"] SCANS=92 Num peaks=122 52.970215 18 56.463135 17 58.993259 34 61.008545 17 62.371025 18 64.141472 25 64.75032 18 65.996719 22 66.629196 65 71.015015 24 75.132576 18 78.65181 20 83.930115 18 84.012833 422 84.056335 20 84.556946 18 84.92968 20 85.009293 1982.596558 85.257637 18 85.498337 20 86.278107 18 86.516891 30 87.007492 38 87.860519 22 88.266144 23 89.018349 21 99.007294 26 99.02018 34.859207 100.010323 33 100.176994 18 100.989143 19.654751 101.004311 178.345245 102.009186 46 103.688095 19 107.606674 25 107.75322 26 110.452827 20 112.99971 19 113.060188 19 113.630165 29 113.738808 19 113.999863 20 114.022438 136 115.0205 523 115.039772 24 116.038322 25 116.556404 19 117.015915 50 117.032234 26 117.095764 20 126.021179 18 127.023689 44 127.954933 29.999998 129.022568 20 129.037857 20 129.934799 21 135.213425 20 140.705399 18 140.865143 22 142.648743 18 143.018402 27 144.03717 90 144.714661 19 145.030548 395 146.035385 18 147.02626 18 148.585251 25 149.78299 20 150.700943 37 154.015182 21 156.420868 18 158.395355 18 170.216202 18 172.028748 311 172.105133 20 173.025742 2428.238525 174.003952 20 174.027466 129 174.082413 18 174.467117 27 175.01886 85.843559 175.034637 151.156433 175.057861 18 175.103485 28 175.4944 22 177.606155 21 180.408356 18 180.496536 20 184.07576 22 185.660339 21 186.72261 19 187.875 22 190.575653 22 191.454788 23 194.596451 21 198.752029 30 202.570786 18 207.367584 18 213.067612 31 221.407516 32 229.060562 71 239.592255 32 243.747589 20 243.829941 18 245.890152 22 263.97049 27 274.311646 18 298.750366 18 314.638153 27 345.554077 18 401.707428 39 402.345032 28 430.576172 18 484.964874 18 506.403473 21 515.445496 19 531.799866 20 578.138489 17 648.71344 22 864.103882 40 945.105469 29 1137.061646 20 END IONS BEGIN IONS FEATURE_ID=93 FEATURELIST_FEATURE_ID=Aligned feature list peak:93 MSLEVEL=2 RTINSECONDS=163.32 PEPMASS=205.01392 CHARGE=-1 FEATURE_MS1_HEIGHT=8.136E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8:609"] SCANS=93 Num peaks=180 50.128288 17 50.76152 24 51.039719 17 51.286518 19 52.78944 19 54.673946 19 56.05965 19 58.924625 18 58.996056 17 61.21986 18 62.024845 41 62.102566 17 62.960499 42 63.696476 27 64.101463 22 65.060013 28 67.287277 25 71.987755 20 72.047203 30 73.506706 18 73.946754 29 76.048561 18 76.440598 32 81.242149 21 82.319695 18 82.877174 18 86.009483 225 87.006477 406 87.711617 40 88.004555 19 88.596588 18 89.00531 70 89.118179 17 89.439392 22 90.027802 20 99.924545 18 105.018158 22 105.803734 26 106.203362 20 112.005508 501 113.003242 1171 113.047401 18 114.002586 75.255013 114.022644 39.744984 115.0019 140 116.035179 20 116.926804 141 117.042229 71 117.92746 18 118.929558 17 119.034554 20 119.232704 26 126.032761 25 128.494812 20 129.019958 18 129.130127 18 129.489578 30 130.01619 4039 130.371597 20 130.38707 18 131.012939 6515.595215 131.073334 22 131.261353 29 131.32338 18 131.518112 18 131.731247 18 132.011215 93 132.022629 89 132.334961 18 132.361282 24 133.01268 171 133.367584 17 135.004898 18 136.504074 32 142.924255 202 143.029709 27 143.046524 21 143.518646 18 143.925049 18 144.928268 22 145.004868 20 148.241638 24 149.025299 31 151.506958 18 152.036591 20 152.410721 30 153.092941 30 155.153015 21 155.980347 25 157.707306 17 158.0112 5808.786621 158.034698 31.966539 158.551025 20 158.929916 17 159.00856 9693.898438 159.04567 19 159.285004 28 159.491852 28 160.021103 425 160.12088 37 160.935379 182.429901 160.961182 42.570095 161.015182 363 162.02037 23 162.065063 17 162.230865 19 162.890976 17 162.994156 17 163.035385 48 163.141251 18 164.89946 18 165.033081 22 169.095596 22 170.353104 18 172.995102 17 173.707428 22 177.018906 38 179.026749 20 186.042175 26 186.938705 19 187.040695 62 188.603348 18 189.034851 26 190.014908 18 190.88179 21 204.017273 260.246826 204.053482 739.952637 205.013489 852 205.050674 858.321289 205.552979 36 206.012283 94 206.051453 104 207.01619 60.561855 207.035385 103.438148 207.060394 43 207.105865 20 208.014389 27 208.811096 37 209.447205 18 212.580185 27 218.378265 18 220.749954 18 225.061661 23 227.497833 17 229.450851 17 229.59996 19 236.089371 17 248.621643 27 260.576935 30 268.351959 18 273.293671 18 286.42218 18 287.908539 27 290.813995 25 303.378754 19 316.177399 18 316.496368 22 317.495972 34 343.063263 21 345.996979 28 351.764801 17 372.155365 18 387.069092 20 393.814728 19 397.232666 34 404.744812 67 570.23114 18 630.226196 23 716.217712 18 784.401001 23 858.398376 20 1001.270142 20 1041.415527 18 1045.667358 20 1057.260498 17 1061.369507 18 1103.465698 20 1135.202271 17 1138.57373 41 1140.326294 18 END IONS BEGIN IONS FEATURE_ID=94 FEATURELIST_FEATURE_ID=Aligned feature list peak:94 MSLEVEL=2 RTINSECONDS=163.78 PEPMASS=246.04376 CHARGE=-1 FEATURE_MS1_HEIGHT=5.916E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8:666"] SCANS=94 Num peaks=164 55.719505 33 57.868462 18 58.835651 18 65.629906 17 71.016495 61.207134 72.988838 23 72.996521 30 73.447151 24 74.018745 20 75.57135 19 76.013626 55 80.606613 18 80.64061 24 85.009163 47 85.024979 17 86.009651 114 87.004837 218 88.025276 18 89.012779 22 96.010239 18 99.024551 22 99.925896 20 100.981491 18 102.060204 29 104.020599 17 110.059464 19 111.00679 19 112.00544 193 112.981552 19 113.002975 157 113.391151 20 114.023071 1192 115.020035 6884.894531 115.1026 18 115.943336 18 116.023056 319 116.058861 17 116.931206 50 117.024429 92 118.003586 22 119.187416 20 127.952599 18 129.019287 199 130.015869 578.273804 131.013611 991 131.090591 18 132.013229 44 133.006638 51 135.464493 20 135.971954 27 140.038452 45 141.769409 19 142.923615 25 143.034836 20 144.017776 43 145.016571 18 145.031082 62.882427 145.149765 24 147.028473 18 148.024292 93.56633 148.041916 21.43367 149.024063 78 152.937103 30 154.021072 24 155.017151 305 155.677322 33 155.948837 41 156.013992 386 156.955215 21 157.008759 346 157.030624 112 157.191345 18 157.952682 41 158.000427 20 158.016693 38 158.048477 20 158.8909 18 159.010025 127.115204 159.047989 84 161.990234 18 170.904877 20 171.953751 18 172.033646 81 173.027161 626 173.06839 22 173.451019 28 173.466675 17 173.724655 18 174.024811 931 175.019196 583 175.399033 20 179.914612 59 180.463028 17 184.023468 39 185.005966 33 185.022385 54 186.041168 42 187.041382 48.365944 187.062592 17 188.439667 20 188.986404 18 189.055313 35 192.662521 18 196.135651 20 199.019333 73 200.023575 231 200.062775 22 200.954742 44 201.022232 384.825684 201.040451 172.174316 201.276367 20 202.018753 1188.312988 202.036041 1236.800537 202.290466 19 203.017487 886.452332 203.033737 1570.890625 203.381241 18 203.992615 27 204.035461 75 204.873917 31 205.998917 30 206.681061 23 215.023483 21 215.043289 21 216.123749 19 217.035538 99 218.031006 302 218.098328 24 219.027649 156 219.066788 18 220.896713 21 226.788727 26 227.713608 20 229.018555 40 229.094894 24 230.033173 18 231.041718 36 234.039383 18 235.171509 24 236.829025 22 242.226135 22 245.046921 910.590881 246.041855 581.721619 246.756516 22 247.030792 412 247.061981 124 247.101746 18 247.865936 17 248.051239 87 248.133514 18 248.362289 20 249.026978 18 249.057602 18 249.084015 18 259.2323 21 272.041718 22 272.456329 18 293.75885 18 411.512939 26 432.693298 18 438.692871 18 440.310608 21 685.390137 17 1005.310364 18 END IONS BEGIN IONS FEATURE_ID=95 FEATURELIST_FEATURE_ID=Aligned feature list peak:95 MSLEVEL=2 RTINSECONDS=164.06 PEPMASS=203.03319 CHARGE=-1 FEATURE_MS1_HEIGHT=1.673E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:688"] SCANS=95 Num peaks=272 50.330872 31 51.652142 19 52.49897 23 53.426582 29 53.89138 18 55.427994 27 55.714298 18 57.834812 22 61.629841 20 61.769867 17 62.708458 22 65.883064 20 66.305054 30 66.385941 18 68.051956 20 70.919579 18 71.32724 22 73.032509 19 73.654831 34 75.438683 18 77.984077 21 80.475121 23 82.690598 18 82.745628 19 84.013962 18 84.449493 18 84.464523 19 84.726883 21 85.014412 81 86.0103 469 87.005424 780 87.383614 20 88.00351 72 89.002167 95.007034 89.942719 18 90.025436 31 90.31179 22 91.031013 22 91.387474 18 93.205437 22 96.285934 23 96.742531 17 98.058136 18 99.28492 20 99.40062 18 99.9916 20 100.204231 17 100.688087 20 101.856339 19 104.020309 98 105.01664 24 105.322334 21 105.428978 18 106.364456 21 106.971878 25 107.675415 23 108.521248 17 109.594551 17 111.011368 79 111.031693 20 111.043304 18 111.082191 18 111.939987 17 112.00647 864 113.002182 830 113.02668 36 113.941658 44 114.000229 29 114.023499 141 114.048897 30 114.088303 17 114.347801 19 115.000343 99.535553 115.020935 1046.021606 116.021011 44 116.069733 18 116.095573 18 116.924629 108 117.589302 19 119.009804 21 120.226402 23 121.537376 18 122.458221 20 124.714546 23 125.373001 18 127.931145 17 128.022873 74 128.960678 17 129.020493 981 129.954651 25 130.016602 3880.079346 130.260101 18 130.358749 18 130.429199 18 131.013199 5730.705566 131.151993 22 131.228378 18 131.243393 18 131.564178 17 131.661316 17 131.996841 26.840946 132.01004 50.16547 133.007935 70.441437 133.019302 21.316669 134.947266 18 136.380325 21 137.529678 20 140.924698 18 141.003128 25 141.915955 17 141.930573 46 142.083527 24 142.924408 437 143.038086 21 143.051865 18 143.084061 21 143.111328 20 143.23349 20 145.031952 24 145.050156 18 146.426407 19 147.633896 21 148.623779 30 148.991394 20 149.023743 52 150.223221 26 154.513763 17 155.753036 18 155.957001 34 156.014618 92 156.488831 17 156.793091 25 157.015762 1299.301514 158.011841 5554.179199 158.80748 18 159.008469 7613.582031 159.054642 19 159.508469 18 159.94017 36 160.009216 279.118073 160.030899 165.586029 160.349945 20 160.366501 19 160.725372 20 160.936356 180 161.022202 140 161.067047 19 161.937302 37 162.060364 17 162.344864 22 162.896317 21 163.517914 18 163.682205 24 167.2005 19 167.847443 31 168.410172 18 174.019623 26 177.02153 71 177.112305 19 181.545731 18 184.027512 204 184.162048 23 185.026581 410.435333 185.996353 27 186.021103 66 186.234863 20 186.995026 21 188.024033 18 192.125427 18 196.195877 19 198.899048 18 199.173889 25.000002 200.029251 25 202.002411 22 202.038132 3778.337402 202.685883 18 202.99733 26 203.03421 5801.758789 203.088318 18 203.234741 22 204.018631 457.07843 204.039505 293.470581 204.42749 18 204.943619 18 205.015045 473.950409 205.030014 383.973206 205.894104 28 205.938019 19 206.028793 47 206.055405 33 207.853485 17 207.963959 18 208.008179 22 222.362457 20 232.989212 21 233.931274 18 248.235718 18 249.221115 21 261.104431 18 261.640381 20 264.131805 23 267.305603 42 281.815216 20 285.000916 17 290.042999 18 296.416718 22 298.153625 22 300.043945 20 307.047668 18 308.375702 44 317.785492 18 322.064087 21 325.189453 51 337.129425 17 338.165558 43 347.029419 18 356.044312 18 357.088959 18 358.038055 21 359.042633 18 363.29306 19 364.292603 19 371.981659 18 375.407837 20 387.542328 22 391.457336 17 401.044128 19 414.19989 17 414.94162 20 417.319611 22 424.929749 17 431.04538 18 443.136169 18 454.269745 20 474.092712 19 497.154144 17 517.628601 22 519.36676 24 531.217285 22 572.151978 31 592.104004 17 596.044983 21 624.748779 18 633.508423 30 657.490173 26 664.507446 22 676.244141 21 715.039917 18 803.536682 17 825.00293 17 834.154663 20 897.312927 17 960.345215 20 963.547852 19 989.116211 24 1017.315674 18 1026.456787 20 1038.229248 21 1048.349609 23 1058.202148 38 1083.450195 18 1095.961182 17 1097.463867 21 1106.192261 20 1115.994385 18 1125.167114 22 1135.360718 22 1147.078125 18 1155.389526 18 1157.658813 19 1162.191528 18 1185.129883 17 END IONS BEGIN IONS FEATURE_ID=96 FEATURELIST_FEATURE_ID=Aligned feature list peak:96 MSLEVEL=2 RTINSECONDS=164.35 PEPMASS=247.03642 CHARGE=-1 FEATURE_MS1_HEIGHT=5.135E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8:592"] SCANS=96 Num peaks=106 71.013023 37 87.006592 81 88.004814 18 89.006119 42 89.025276 24 105.223877 21 111.012138 39 112.005112 95 112.032585 22 112.985329 44 113.003731 194 113.033028 29 114.024391 510.789642 114.983696 18 115.020012 3834.815918 115.791183 18 116.005257 21 116.02594 155 117.026627 58 118.925278 17 124.468781 18 125.952507 22 127.95311 18 129.023697 224 129.929733 17 130.016144 1056 130.730377 19 131.012741 1249.184814 131.608582 47 132.011948 145 133.007751 72 133.057068 18 135.022125 28 141.933807 18 142.924179 21 145.02446 18 148.029037 33 154.021652 115 155.01738 230 156.012253 514 156.039429 26 156.610275 18 157.010742 784 158.012955 97.246155 159.009781 44.160378 159.025986 26.336597 160.889587 30 165.365707 22 171.947632 18 172.031586 67 172.940475 37 173.025757 382.123749 174.024551 1003 175.021301 881 176.01384 18 177.025665 18 183.88942 18 185.018204 17 185.043961 20 187.886551 18 200.021484 166 200.951035 20 201.020081 737 202.021637 2089.55249 202.467896 21 203.016251 1948.372925 203.033859 808.627136 203.815308 18 204.020279 108.933128 205.003143 18 205.027756 31 205.159744 52 205.991852 18 207.097076 23 218.033051 120.500984 219.02832 275.897766 220.02887 18 221.026459 38 222.112396 19 226.951797 18 229.053314 20 229.954208 18 230.058914 29 230.937714 30 231.049438 38 231.108627 18 233.002304 24 246.040253 334 247.036087 429 247.105774 22 248.02803 17 248.052338 51 249.052017 20 249.147324 63 250.055679 19 250.145172 44 251.003128 51 281.602661 22 282.636932 20 287.201202 18 304.902008 29 511.656799 20 556.651489 20 570.456726 20 839.27533 20 918.301941 19 END IONS BEGIN IONS FEATURE_ID=97 FEATURELIST_FEATURE_ID=Aligned feature list peak:97 MSLEVEL=2 RTINSECONDS=166.83 PEPMASS=478.29358 CHARGE=-1 FEATURE_MS1_HEIGHT=1.706E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8:678"] SCANS=97 Num peaks=194 51.837315 17 54.758766 18 58.33115 45 59.449959 18 63.001396 21 66.232536 43 68.233459 24 68.392242 20 70.047485 20 74.574005 38 75.903603 18 77.845055 18 78.958168 241 81.43354 24 83.741585 17 90.903122 20 100.636986 20 106.50293 20 106.904533 20 112.457565 18 112.807892 18 115.214127 20 125.021469 28 127.057327 41 131.009644 18 133.334854 17 133.669006 19 133.705093 19 134.982346 30 135.27063 18 135.575775 17 135.84259 27 138.966507 17 140.011383 528 140.309631 19 140.691925 20 141.019989 25 152.996429 168.809586 153.995453 22 159.009491 17 159.213806 17 163.985641 18 175.027252 23 182.127701 21 184.351974 24 185.061386 17 185.562012 18 190.974426 23 194.880432 18 195.814087 18 196.037811 1898.700439 196.657455 18 197.0383 112 198.044373 78 199.042282 19 200.422348 18 201.474838 18 209.037964 32 210.792343 21 210.968933 18 212.177032 18 214.044647 435 215.048004 18 216.042206 21 216.093445 33 217.674561 22 217.759857 24 221.581375 18 228.784363 30 239.765945 20 242.536819 17 255.226685 112 261.254578 18 261.766968 24 263.181091 20 277.09024 18 277.166321 18 277.215729 26 277.800323 22 278.480377 20 279.235931 39 279.803589 18 280.235077 60 281.247742 22489.542969 281.541992 18 281.695038 20 282.114105 17 282.250885 4549.763672 282.921753 18 283.185364 17 283.26181 1542 284.260498 215 285.278168 42 285.316071 21 285.92627 18 288.078094 26 291.321014 18 292.765747 20 295.531982 19 297.146729 18 299.159698 34 310.002594 31 311.163849 18 314.948975 26 317.957092 18 322.799622 19 322.837677 29 325.182251 19 326.655487 23 330.965698 20 339.218628 20 347.039612 18 351.583313 24 359.095001 18 364.472656 20 364.794159 22 380.829559 22 384.978943 25 399.100983 19 415.254059 22 416.185394 18 417.240143 18 418.243774 17 434.013214 44 437.246216 17 440.066223 18 450.262512 74 451.256897 18 451.311371 20 451.651489 17 452.277496 114 460.909515 23 466.33194 18 475.002106 18 476.267181 22 477.199158 18 477.283051 36 478.292847 7403.005371 478.486603 18 478.71167 18 479.295837 1790 479.428497 18 480.022339 18 480.303162 548 481.224152 18 481.260284 38 481.308289 78.232841 482.251007 20 482.325684 45 485.446228 18 487.111511 21 493.250214 20 494.269684 20 510.966248 18 522.044678 25 538.475769 18 551.291199 34 552.729431 18 568.262634 27 574.301697 30 606.278137 19 629.450073 19 630.166199 32 674.492798 18 688.476196 17 705.302063 18 717.577332 18 729.568542 20 742.543213 20 768.427185 18 785.414917 21 786.377136 20 826.889832 22 829.519958 17 834.069275 17 892.832458 24 894.423889 18 903.600159 21 911.52948 22 929.624268 20 931.574829 18 941.5802 20 946.320801 18 999.780945 18 1004.501953 20 1060.497681 22 1063.527344 17 1084.473389 21.999998 1090.552368 17 1144.396851 18 1168.795532 20 1189.207275 22 1190.790039 18 1197.867065 23 END IONS BEGIN IONS FEATURE_ID=98 FEATURELIST_FEATURE_ID=Aligned feature list peak:98 MSLEVEL=2 RTINSECONDS=167.55 PEPMASS=450.26276 CHARGE=-1 FEATURE_MS1_HEIGHT=1.034E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8:615"] SCANS=98 Num peaks=91 56.44875 18 61.677975 18 70.364433 17 78.719574 26 78.958748 177 103.99102 18 109.253365 18 109.491753 22 111.005455 22 116.926231 17 122.003525 48.689457 137.980545 22 140.011826 640.950073 141.014084 42 150.95253 22 152.994873 134 156.014008 21 156.915878 18 166.021729 18 166.84436 22 171.59964 19 173.026978 24 196.037247 1710 197.039307 83 198.03743 18 199.288956 18 208.414215 20 214.049637 665.055237 217.017578 40 219.601883 20 229.582291 18 251.548798 18 252.459854 23 252.511826 17 253.216614 13440.480469 253.302429 19 253.783539 21 254.086426 19 254.164948 17 254.220886 2446 254.858261 18 255.169403 37 255.232559 16310 255.307617 23 255.365952 18 255.623367 20 256.236847 2123 256.426392 29 257.46994 20 257.672089 21 258.083679 18 262.085815 18 262.187317 18 273.894165 22 312.173157 40 313.157806 19 318.211731 25 318.899811 22 320.051697 22 324.278839 18 337.956757 19 358.569153 20 359.527283 18 366.995575 18 370.536072 17 374.645325 18 375.0289 20 391.229736 23 391.757874 17 392.217834 21 400.793884 34 403.548004 18 406.882263 19 449.150879 39 450.022156 17 450.260803 1877 451.262177 294 452.16861 17 452.277802 4748 452.576202 18 452.853729 18 453.282349 937 454.281555 29 456.257568 17 461.041168 18 469.571625 22 509.612244 19 526.346375 18 600.26825 22 942.637695 19 1019.684021 28 END IONS BEGIN IONS FEATURE_ID=99 FEATURELIST_FEATURE_ID=Aligned feature list peak:99 MSLEVEL=2 RTINSECONDS=170.91 PEPMASS=450.26233 CHARGE=-1 FEATURE_MS1_HEIGHT=1.03E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8:649"] SCANS=99 Num peaks=179 50.616707 20 50.849102 19 51.606213 20 55.816948 17 58.566158 26 65.256996 31 66.648354 20 67.764862 18 69.499512 18 71.635986 18 73.075554 26 74.24337 17 77.151634 26 78.033897 23 78.960243 66 80.796547 22 83.049362 26 86.258888 24 86.401863 18 86.931671 18 91.498734 20 91.751427 20 95.398529 18 96.154617 18 97.686661 17 99.581879 20 106.167007 22 107.056038 17 110.714554 18 111.126205 29 113.026161 19 114.295273 29.999998 115.110977 39 117.017418 20 118.694183 18 119.883347 21 122.005058 58.139259 122.212318 26 123.07621 22 125.247993 18 126.505722 20 127.025307 17 127.158188 20 140.011581 349.923859 141.004959 31 142.962631 25 151.078262 18 152.997437 160 153.106262 35 154.470795 25 156.048325 18 166.691086 31.999998 171.941467 28 172.666504 25 173.024185 39 175.738892 19 195.240509 72 195.415695 24 196.037781 804 196.556046 27 197.038925 53 198.039673 18 201.930054 20 201.994278 45 203.032715 20 204.03334 18 209.328262 18 214.046814 461 215.05098 19 216.051407 18 218.93869 20 219.067383 18 233.619476 23 235.204071 21 237.212677 20 249.509567 18 251.831482 18 253.041138 20 253.21611 11662 253.258987 20 253.755692 28 254.21933 2071.755127 254.327118 21 255.019836 18 255.077362 18 255.232208 8676 256.237061 1161.510498 257.238434 25 257.662018 32 260.532043 20 265.209778 17 266.590942 30 267.053436 23 271.043335 19 275.118835 20 279.381195 32 281.247314 83 281.304718 17 286.949738 26 294.357178 32 299.897583 28 315.017059 19 318.117554 22 319.04129 17 320.573914 20 321.056671 27 321.602722 30 325.187012 18 326.986694 18 339.20694 19 343.863251 26 348.024414 17 350.073578 22 350.512939 24 357.106812 18 361.00882 21 390.264618 22 403.264709 18 405.092773 18 428.840942 22 431.884033 18 432.085358 23 432.980042 17 433.018555 18 434.094879 47 436.1297 19 438.055756 24 440.089966 23 449.145203 18 449.878693 31 449.973724 18 450.164185 19 450.262634 1836.676392 451.262512 300 452.114685 19 452.278381 2445 453.136017 22 453.281799 313 454.289581 17 476.659729 20 478.295563 57 479.312378 19 542.776062 20 550.28833 24 567.329651 21 613.292297 18 614.527893 19 631.294739 18 639.172607 21 645.455627 18 686.464172 18 688.511292 18 714.08844 39 747.854736 25 756.452515 18 842.520081 18 883.03009 17 950.397522 17 951.316833 17 953.551025 20 984.419556 21 998.369873 19 1005.273438 24 1027.592407 17 1056.793701 24 1061.562378 20 1063.676147 18 1125.65918 18 1130.3573 22 1132.643677 25 1136.569946 18 1138.192871 17 1139.458618 18 1143.607422 30 1146.59729 18 1162.73938 22 1183.438232 20 1189.211914 22 1198.672363 20 END IONS BEGIN IONS FEATURE_ID=100 FEATURELIST_FEATURE_ID=Aligned feature list peak:100 MSLEVEL=2 RTINSECONDS=171.10 PEPMASS=905.56371 CHARGE=-1 FEATURE_MS1_HEIGHT=5.177E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8:703"] SCANS=100 Num peaks=53 79.043762 18 89.025406 32 121.994217 18 140.010529 19 150.866409 20 156.326157 20 157.869522 18 187.498932 18 196.036026 89 214.052643 23 236.094284 17 251.550186 19 253.218674 39 254.22551 40 255.232468 1210 256.233368 169 257.239105 19 258.306763 24 261.361481 18 262.981171 22 266.562927 35 269.031677 18 281.209717 21 298.881805 18 335.305786 18 335.40274 18 339.199951 21 354.125885 36 358.354065 20 428.285828 18 434.566986 22 445.626434 17 447.247925 40 450.262268 94 451.265015 122 452.27829 7327 452.351227 22 452.534637 41 453.223694 35.624756 453.281189 1745 454.285492 297 455.287537 68 464.826141 33 549.281494 18 609.363892 28 640.682983 24.000002 712.285583 18 861.504883 22 890.299683 20 905.555176 38 906.561218 58 907.340454 18 1011.115967 19 END IONS BEGIN IONS FEATURE_ID=101 FEATURELIST_FEATURE_ID=Aligned feature list peak:101 MSLEVEL=2 RTINSECONDS=171.48 PEPMASS=452.27745 CHARGE=-1 FEATURE_MS1_HEIGHT=5.688E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8:640"] SCANS=101 Num peaks=167 62.796944 37 68.225288 26 71.071762 22 78.958458 1023 78.997986 22 79.800293 19 87.016327 18 88.041725 17 96.376869 18 96.963837 23 102.627747 18 104.976952 20 108.705803 18 110.237656 19 115.020981 18 115.194389 20 117.168076 18 122.001732 69 122.983978 18 124.017883 18 125.005722 26 125.060326 22 134.982025 35 140.011597 2074.887695 140.22168 35 141.018402 79 142.926971 20 145.048737 26 145.974777 21 152.996613 551.385132 154.528931 20 155.075562 18 158.827347 28 159.815292 18 166.945099 18 167.035049 20 167.105133 29 171.007751 18 171.029877 18 178.02388 18 187.191162 55 187.423096 18 195.804382 20 195.885651 21 195.952927 27 196.037766 6925.353027 196.906616 17 197.041107 454 198.03978 84 198.562012 20 198.842834 17 204.847382 22 210.942123 23 214.04837 1482.06897 215.048447 62 216.04747 23 219.013794 39 231.857086 36 231.95517 28 235.008789 17 239.969955 18 251.422165 17 251.483521 17 251.510361 24 251.56012 25 251.586929 20 252.33847 18 253.215698 612 253.635849 22 253.777756 25 254.220032 1399 255.150787 18 255.192688 27.8936 255.23317 65978.164062 255.305542 1219.138916 255.417786 36 255.555511 18 255.6203 36 255.658401 18 255.68103 18 255.953354 19 256.038544 19 256.148407 18 256.189545 17 256.236694 15134 256.323578 38 256.530731 18 256.602692 18 256.641632 21 256.857727 20 257.239014 1468 257.390564 21 257.423737 18 257.787811 40 257.863312 20 258.244385 78 258.296631 19 258.974823 18 259.059723 17 259.478271 18 259.686218 40 260.062042 20 261.655792 25 261.937592 22 262.127289 18 263.074005 18 263.12851 19 266.153839 22 270.09256 19 275.442871 26 275.56311 20 278.984467 24 281.248932 24 283.259827 22 284.658539 18 285.087433 22 288.992554 18 289.027466 34 291.989044 20 294.067017 20 297.099121 20 297.154419 18 310.004425 18 320.157471 25 323.059906 30 325.169403 20 342.374603 21 343.8992 17 362.11261 37 371.170197 22 391.232391 128 393.225708 18 397.106354 23 406.042786 18 408.019501 17 409.022766 23 411.361145 17 437.064117 19 445.31842 18 451.268005 314 452.278656 20629.603516 452.367859 23 452.497528 17 453.281219 5152 453.669464 20 454.28363 870.534058 455.178009 20 455.290955 99 455.739044 22 460.74408 19 461.708435 18 480.479767 18 488.05481 21 547.853271 19 643.471436 18 659.49646 19 660.017212 20 679.211121 18 706.914429 27 737.765808 22 774.216797 24 878.383301 17 890.200623 46 903.539856 35 905.580383 19 1029.604614 17 1074.542114 22 END IONS BEGIN IONS FEATURE_ID=102 FEATURELIST_FEATURE_ID=Aligned feature list peak:102 MSLEVEL=2 RTINSECONDS=171.52 PEPMASS=453.28092 CHARGE=-1 FEATURE_MS1_HEIGHT=7.734E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8:643"] SCANS=102 Num peaks=65 53.338535 17 55.091213 20 78.947716 20.559196 78.958176 89.742538 79.574242 23 95.006203 18 96.956467 18 105.017128 22 117.076736 22 134.986542 26 137.006256 25 140.010925 290 141.015305 41 142.924637 21 152.998459 55 159.005539 17 166.028397 17 169.006546 22 173.092133 28 186.061844 20 196.037842 707 196.350555 18 197.038727 111 197.992935 18 198.03656 47 200.944443 31 214.049332 117 215.060089 21 215.090088 20 229.939819 23 253.217255 37 254.218155 18 254.240097 20 255.232819 7769 255.356308 24 256.236542 2092 257.241852 139 258.087585 18 258.242126 38 258.535858 18 259.339325 18 265.065552 19 267.140015 17 280.938599 30 292.075104 22 304.851532 18 334.981598 27 335.980835 21 337.920654 23 339.022156 26 364.111816 19 408.882446 18 408.97934 20 438.982666 37 452.2789 2350 452.934418 18 453.033539 18 453.282166 771 454.286194 263 455.285828 72 456.169739 18 457.10257 18 799.775024 18 883.474365 18 935.362976 23 END IONS BEGIN IONS FEATURE_ID=103 FEATURELIST_FEATURE_ID=Aligned feature list peak:103 MSLEVEL=2 RTINSECONDS=172.17 PEPMASS=305.06831 CHARGE=-1 FEATURE_MS1_HEIGHT=1.28E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8:743"] SCANS=103 Num peaks=203 51.104042 18 54.23671 27 58.05518 18 61.987034 20 66.041092 25 69.035301 23 71.011818 215 75.004021 18 78.019257 20 79.95752 20 84.01181 17 85.011513 102 85.232056 18 87.008087 86 88.041161 21 89.004738 23 89.023544 209 90.031204 19 93.03331 20 96.95845 18 98.030624 24 98.059326 23 99.006485 43 100.009384 85 100.031456 18 100.489349 27 101.002861 45 101.024796 36 107.74765 19 111.008148 50 113.023468 23 114.024559 521 115.020378 1853.602173 115.97567 23 116.019981 81.688911 116.03083 59 116.925362 60 117.189308 18 119.040398 19 119.979057 33 125.021996 20 126.026398 21 127.02063 23 129.020264 42 131.045349 40 133.035019 83 135.056458 34 137.972382 22 139.038101 18 141.017624 18 141.037903 115 141.30719 19 142.032486 17 143.012039 22 143.034851 18 144.064117 20 145.050964 38 145.086334 76 145.959244 18 151.047256 48 152.930618 24 155.751373 18 156.034195 248 156.894562 41 157.031876 1280 158.037827 44 160.892532 54 161.061386 21 163.07196 18 164.976242 23 165.983536 20 166.052414 18 169.029114 109 170.052277 60 171.045395 152 172.027328 61.000004 172.955887 18 173.028595 74 173.931931 23 174.053787 20 174.986221 18 175.032776 17 176.020355 31 176.067017 18 179.000061 22 182.847275 18 183.037994 33.382542 183.05368 23.61746 184.027161 17 184.148239 22 184.399979 23 185.021759 45 185.040878 17 186.044739 1110.70166 186.915054 20 187.042435 4316.677734 187.072372 37.55444 187.276764 18 188.04538 246 188.649963 20 189.029083 36 189.05426 20 189.308334 25 190.218155 34 195.135986 21 198.047928 40 198.23111 19 199.0401 602 200.044586 63 200.954391 36 201.021561 25 202.056046 25 202.998352 17 204.076981 18 205.040146 22 205.075485 17 209.081314 28 214.881012 18 215.04393 26 216.056442 19 216.920212 24 217.055527 112 218.056961 38 221.787018 27 224.159729 20 226.133377 17 227.103439 19 228.027679 19 228.130936 22 229.047226 50 231.076599 20 232.909653 18 233.058411 18 233.170273 33 241.051895 17 243.961975 18 243.996109 17 244.051117 25 244.092361 18 245.050079 116 246.052078 19 252.09877 18 258.063995 141 259.027069 18 259.063507 814 259.83609 19 259.934845 20 260.070312 112 261.074829 19 261.923889 20 262.292145 19 264.157166 20 264.554688 17 268.205963 18 268.229034 20 270.068909 21 275.053497 39 276.060272 51 277.085083 52.914474 287.01181 19 287.062927 22 288.070709 36 290.026459 19 290.090179 21 300.554199 18 304.071808 404 304.169006 29 304.65918 18 305.069458 2452.365234 305.253662 18 305.377869 29 306.070526 422.81546 306.134338 18 307.049866 42 307.072937 40 307.140381 99 308.078674 18 308.101929 18 308.141541 35 309.179169 67 309.509308 17 368.100037 18 394.99765 20 415.014496 21 424.042084 24 435.934418 17 474.693542 23 508.501678 22 515.14978 20 518.61676 23.000002 578.176025 19 593.255737 18 653.653198 18 658.516235 22 724.98645 30 794.297791 17 842.673523 18 872.387085 26.000002 877.357971 18 946.251648 20 995.540527 17 1116.512939 22 1123.67688 20 END IONS BEGIN IONS FEATURE_ID=104 FEATURELIST_FEATURE_ID=Aligned feature list peak:104 MSLEVEL=2 RTINSECONDS=172.19 PEPMASS=187.04126 CHARGE=-1 FEATURE_MS1_HEIGHT=1.245E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8:733"] SCANS=104 Num peaks=105 50.304134 20 55.167007 18 65.600426 18 71.01226 340 71.048378 18 74.091339 17 74.851974 20 84.764832 19 85.031418 28 87.007362 68 88.004417 17 88.039719 32 89.02137 39 96.969711 24 98.020386 20 98.982147 18 99.0793 36 99.925415 17 100.933601 111 101.005318 58 103.128685 20 108.044495 20 111.007469 61 112.837646 28 113.043854 18 114.024239 1706 115.020218 6937.302246 115.309731 25 115.355125 22 116.024292 323 116.040878 38 117.028755 106 117.611526 23 118.338951 18 119.559135 17 121.608032 26 123.077766 18 125.02095 88 129.048859 18 130.017014 19 133.865097 18 135.01619 18 135.043793 18 135.778091 20 143.051819 96 143.07402 36 143.869736 22 143.927841 18 144.015656 54 144.070114 22 144.922134 29 145.012604 23 145.045441 20 145.896912 35 147.009979 19 157.031982 20 159.895767 46 169.013885 20 171.002625 43 171.024826 42 172.022766 46 175.864868 22 186.044098 1282 187.041183 6149.259766 187.087814 18 187.368271 20 188.021851 205 188.044907 531.82843 188.28157 18 189.020752 454.137115 189.056763 119.859726 191.019653 61 193.550735 19 196.825531 19 199.350525 29 211.912415 26 227.677292 19 245.659592 20 265.199127 20 277.998444 18 311.177917 20 330.248016 19 333.22702 21 348.630157 24 362.805634 22 379.040955 18 389.236206 30 445.601501 23 452.276184 19 485.49939 21 489.972687 24 525.746887 17 536.290527 36 542.830933 20 568.156311 26.999998 568.799011 20 593.991272 20 861.198975 18 918.959106 18 1079.245728 18 1130.28479 22 1132.667114 54.000004 1147.52002 24 1156.131104 26 1164.333618 21 END IONS BEGIN IONS FEATURE_ID=105 FEATURELIST_FEATURE_ID=Aligned feature list peak:105 MSLEVEL=2 RTINSECONDS=173.88 PEPMASS=417.10315 FEATURE_MS1_HEIGHT=6.355E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:753"] SCANS=105 Num peaks=133 60.01796 18 68.998993 34 71.012405 62 72.989632 20 79.019318 19 87.01355 26 89.022423 61 93.035484 35 95.048775 18 101.025482 32 102.022026 18 103.032204 32 105.033691 18 107.015465 30 107.051048 18 113.02404 53 114.023453 124 115.020927 39 116.927727 20 119.015503 18 119.032677 44 119.049332 18 121.012871 41 121.028221 23 123.864685 32 125.025269 17 125.48024 18 126.052727 18 126.997429 17 131.03923 37 133.028 22 145.498749 19 147.048645 30 149.014694 17 149.266434 24 151.036621 37 153.025238 39 159.017715 51 160.993301 20 161.017303 38 163.981873 18 165.049896 17 168.993561 31 169.06488 20 169.121902 21 176.046814 18 177.013901 45 181.064178 19 181.935272 20 187.038284 36 191.035294 41 192.141632 18 193.02153 47 195.02359 24 196.034073 21 197.048615 21 197.064026 25 198.039307 24 200.048615 26 201.022964 27 205.013031 110 206.012665 54 206.987579 43 210.05426 25 211.047852 17 215.395096 24 217.05043 18 222.054123 25 223.022858 35 224.051117 18 231.035339 18 234.987045 22 239.037399 18 243.199158 18 244.042175 26 248.977127 17 254.547714 18 255.048065 18 255.12059 22 257.062744 43 259.045654 26 259.079102 28 265.03183 17 266.905273 18 281.080933 19 287.089508 23 293.021576 18 295.103027 25 296.010925 21 301.068939 58 302.010529 18 302.046448 18 302.070038 18 305.073364 105 310.082275 42 311.075287 18 316.018372 18 320.296021 18 326.891144 19 329.110718 17 329.981323 18 332.127594 18 333.075897 23 343.884369 31.000002 352.700378 18 354.066162 24 355.04361 20 355.09317 19 370.020569 20 373.124969 18 380.019958 33 383.969818 23 391.942963 20 398.084564 18 398.162201 18 399.145966 18 399.833679 23 416.119659 23 416.172577 17 416.243896 21 417.092804 43 417.171448 23 418.084259 47 418.121307 27 419.086487 18 419.123749 95 420.08609 20 420.132019 26.000002 421.125275 38 465.818695 22 470.086975 20 525.176941 21 1008.670532 18 END IONS BEGIN IONS FEATURE_ID=106 FEATURELIST_FEATURE_ID=Aligned feature list peak:106 MSLEVEL=2 RTINSECONDS=173.88 PEPMASS=553.17676 FEATURE_MS1_HEIGHT=7.736E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:755"] SCANS=106 Num peaks=88 88.834373 20 88.989525 60.914173 89.023895 2852 89.973579 18 90.027397 74 90.849808 18 122.105759 19 127.01696 21 128.03978 25 130.023102 18 136.997299 23 143.04039 22 148.915802 25 152.994598 25 153.011902 19 166.051025 21 178.878082 17 180.034775 21 184.011246 18 185.078583 27 186.061264 20 186.105576 19 187.017776 25 187.04538 18 193.022385 20 193.047073 44 195.028793 23 205.015106 147 206.017822 18 206.045395 17 206.08403 18 217.036682 18 219.026047 18 219.060028 23 221.081711 28 221.985214 20 223.028152 62 223.061493 18 226.093735 18 237.04451 110 255.045319 73 265.150635 66 266.066986 18 266.15036 18 278.080963 18 279.05014 18 279.073456 18 283.044159 18 296.063934 18 297.066589 42 297.152649 20 305.075714 20 307.077606 23 309.180908 18 311.16687 17 319.034302 22 325.186462 18 327.082916 21 331.057953 18 332.133759 18 350.069275 28 355.139069 31 357.182465 18 389.076904 24 394.181885 20 417.100433 122 421.031036 22 430.099915 18 452.036102 20 452.25177 26 465.026794 18 467.09549 17 468.157654 18 473.119812 22 476.159363 18 491.136108 34 493.164642 18 507.137726 108 517.728516 18 519.126953 25.999998 552.207825 18 553.028809 18 553.122437 20 553.275391 18 555.31604 30 556.203674 41 556.386475 20 666.937134 31 END IONS BEGIN IONS FEATURE_ID=107 FEATURELIST_FEATURE_ID=Aligned feature list peak:107 MSLEVEL=2 RTINSECONDS=174.15 PEPMASS=509.15035 FEATURE_MS1_HEIGHT=8.321E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:768"] SCANS=107 Num peaks=251 55.020393 22 59.013397 298 69.035133 43 71.013672 505 72.012596 17 72.988983 18 73.030602 41 80.027267 33 81.031075 18 87.009338 119 88.037781 80 88.988007 19 89.023689 1343 89.732498 20 90.027222 36 93.237663 18 95.012314 59 96.969292 18 99.011635 32 100.998985 20 101.024132 1065 105.035583 100 105.144554 32 107.021034 34 108.026688 17 109.031746 56 111.0103 42 113.024513 438 113.33979 20 114.025032 19 115.016838 26 117.027733 37 119.033844 683.838379 120.031807 40 120.203262 25 121.03141 106 123.007896 25 123.044189 63 125.02356 229 127.03566 18 129.051361 18 131.034134 101.39505 131.04541 110.824387 133.026611 96 134.038589 53 135.0121 18 135.04631 18 135.713303 18 136.015762 18 137.024261 191 137.052139 19 138.036041 18 138.211395 27 139.006775 18 139.03894 36 141.013596 50 141.053635 41 143.031601 135 143.107193 411 146.780273 19 147.047379 35 149.023544 224 149.044662 69 150.029175 86.40741 150.04718 15.592592 150.308029 18 151.040665 248.659256 152.041199 21 153.018387 735.111206 154.023209 139 155.034622 138 157.024506 18 159.007385 18 160.012222 18 160.060059 18 161.024551 498.447021 161.046082 284.546722 161.894409 17 162.026001 110 162.051239 35 163.041 122 165.013489 21 165.053055 99 166.026779 18 166.062393 18 166.395706 23 167.034592 267 167.104828 18 168.034088 58 169.006012 18 171.026398 18 171.115295 26 173.026489 41 175.040161 187 176.002579 18 176.039703 30 176.922653 18 177.019745 1070 178.023529 58 179.033051 385.946503 179.055099 568.053467 180.041153 81 180.059418 22 181.047928 39 182.052582 18 183.032852 42 184.066391 17 185.025253 18 185.045853 41 185.111328 22 187.000504 19 187.041168 63 188.003952 30 189.018845 103 191.032013 388 192.035934 25 193.016708 58.483139 193.052185 256.613434 194.031708 51 195.029449 594.938232 196.026505 37 197.041077 74 198.05687 20 199.046112 17 201.023575 47 202.017578 18 202.98819 18 203.032867 94 203.057755 42 204.953049 20 205.013565 4312.22998 205.051071 60 206.018723 509 207.031616 35 207.056976 114 208.035278 120 209.044785 456.869141 210.044388 18 211.057648 74 212.069595 18 213.042511 21 215.039703 20 215.122589 43 218.056396 26 219.031433 601 219.061584 44 220.030212 38 221.045471 135 221.070236 51 223.025864 593.950378 223.062119 39 224.026367 45 226.875137 18 227.060028 150 229.017715 42 232.995132 18 233.045425 78 233.130737 22 234.045532 18 235.022888 18 235.055328 41 236.040131 29 237.039932 1422 237.169113 18 238.044876 273 239.034805 27 239.057983 89 240.066849 22 240.180923 18 245.014297 18 246.129517 21 247.023651 63 248.01973 18 249.043137 19 251.056076 162 251.512543 18 252.050323 46 252.318192 18 255.050476 3566.295654 256.052704 427 256.654816 18 257.056396 100 259.031921 23 261.039032 80 263.07959 18 265.037354 47 269.062805 71 273.031799 24 277.057983 19 279.0495 315 280.050629 36 281.065399 18 281.250519 223 282.248383 25 285.089874 17 285.109741 18 287.057739 18 290.092896 20 291.050323 67 297.060577 466 298.067993 59 299.067474 52.799004 299.083679 18 304.071625 24 305.061371 36 305.157837 42 309.058929 46 311.16098 33 315.110199 20 317.123627 18 320.082458 20 327.068268 146 327.391785 22 341.195862 18 342.970795 19 344.309967 17 347.169067 52 357.079132 97 358.09024 41 359.101379 24 371.093903 86 374.132477 18 379.171661 22 385.082062 126 389.17807 18 391.105835 18 416.975586 21 417.101685 1853 417.272217 27 418.105011 290 419.106384 78 425.56308 18 444.054047 18 447.098663 17 462.136627 18 463.106598 232 463.224091 64 464.110199 85 468.249542 26 480.829926 26 485.288116 23 509.150635 35 509.284882 63 513.084106 25 519.022827 17 532.929932 18 547.294434 18 596.1073 18 622.672791 18 640.210083 19 706.032654 22 END IONS BEGIN IONS FEATURE_ID=108 FEATURELIST_FEATURE_ID=Aligned feature list peak:108 MSLEVEL=2 RTINSECONDS=174.43 PEPMASS=513.21889 FEATURE_MS1_HEIGHT=6.076E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:774"] SCANS=108 Num peaks=122 52.853539 17 54.914185 22 59.014076 183 71.014046 248 73.032494 27 75.006798 22 83.011887 20 85.027901 57 86.002907 29 89.02301 379 90.256042 18 95.013519 48 101.024513 676 103.123795 18 106.997284 22 109.030838 19 113.023865 665.735229 114.027283 38 115.021187 20 118.929184 35 119.036407 412 121.038185 17 124.082458 25 125.027504 57 127.711029 18 130.015488 18 131.032028 35 131.047897 21 131.578476 20 133.042358 17 134.052277 18 143.021729 18.90226 143.037964 128.097748 143.108032 3291.510742 144.062653 21 144.109207 269 145.045593 41 147.02301 35 148.03627 22 149.047318 41 150.047897 17 152.028366 19 156.954742 18 157.106293 18 157.125763 20 158.937424 18 161.045593 781 162.047256 78 163.036697 22 164.175644 18 170.043991 17 171.14183 18 172.947479 18 178.016464 18 179.055283 576 180.059799 77 180.409241 18 181.056519 18 182.060974 39 182.379654 20 185.119446 437 186.118698 43 187.042831 20 196.056564 18 197.114365 35 203.057678 287 204.027435 18 207.031738 22 210.123047 30.999998 215.12793 130 216.13118 40 219.119659 20 219.938339 20 221.06752 110 222.07695 22 226.97522 41 227.053802 20 228.405029 18 229.055725 23 233.142456 173 234.072327 20 239.124588 18 252.983215 20 255.053818 22 259.071777 44 263.076416 286 264.079437 47 266.085785 18 275.147156 18 285.106079 18 299.118195 21 305.055359 17 305.161346 297 306.172211 22 317.190399 18 323.09671 17 341.105408 18 345.617645 24.000002 347.173248 488 347.301605 32 348.179382 137 361.112 18 365.186493 35 366.181702 27 367.21521 23 381.051727 22 387.107941 19 389.182495 162 390.186462 63 394.192657 17 455.520142 20 467.213196 39 471.255524 22 513.224304 23 514.123535 51 515.086609 18 515.125916 45 515.253906 18 517.035767 20 517.107788 18 532.030334 21 552.234192 18 END IONS BEGIN IONS FEATURE_ID=109 FEATURELIST_FEATURE_ID=Aligned feature list peak:109 MSLEVEL=2 RTINSECONDS=174.69 PEPMASS=463.10903 CHARGE=-1 FEATURE_MS1_HEIGHT=1.593E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:767"] SCANS=109 Num peaks=250 51.490696 34 56.678886 20 56.908516 22 59.012531 281.95816 60.017368 17 60.102512 18 60.150196 18 61.01545 22 65.429741 24 65.859749 18 66.627289 23 67.284515 22 68.997643 25 70.03521 20 70.123634 18 71.012527 177 72.017303 56 74.193245 18 74.998985 19.141323 75.010048 75.858681 83.353806 20 84.008453 35 85.028435 17 87.002281 18 89.024529 470 90.023651 42 92.201317 31 93.032684 65 93.300499 19 97.027069 23 100.038574 17 101.024307 520 102.022865 43 102.05854 18 106.017242 21 106.628021 20 107.032997 19 107.051979 43 108.994568 20 112.016075 22 112.873932 25 113.025726 241 113.869087 18 114.056351 20 115.018997 19 116.489647 18 118.033241 19 119.03289 201.654419 121.025795 18 123.00251 17 124.00972 22 125.021751 72 125.993408 20 127.043869 18 128.039093 39 130.087799 20 131.010284 18 131.039749 38 133.030792 73 135.043549 17 137.024887 110 137.064255 37 137.127533 22 139.767746 22 141.015686 17 142.020477 17 143.039169 43 143.57399 18 145.058823 23 147.00975 22 147.030228 18 149.021896 198 149.05162 45 150.021942 17 150.038666 20 151.007812 33 151.038605 69 152.120651 17 153.019913 315 154.020554 36 154.517868 17 155.035355 68 156.533386 22 156.61937 22 160.010025 40 160.056534 20 161.024277 266.341095 161.045761 153.201233 161.578903 18 162.028442 41 162.141251 17 163.034653 76 164.81691 18 165.059296 54 167.034958 240 168.037033 41 169.049545 30 171.028961 19 174.032425 26 175.040512 57 175.114944 18 176.012314 39 176.037338 18 177.019287 462 178.024323 65 179.028915 42 179.053391 327 179.111557 20 180.035828 18 181.048828 99 184.987213 18 187.044159 37 189.022369 49 191.038162 83 192.002289 18 193.014221 54 193.041199 35 193.058762 18 193.686737 18 194.05571 42 195.030945 317 196.016403 23 196.036377 21 197.04425 31 199.063583 18 200.003784 18 201.048553 19 202.052673 17 202.653381 21 202.935806 27 203.002228 83 203.03418 60 204.003342 31 204.040482 18 204.843918 20 205.013306 1811.176025 205.051117 71.246979 205.22261 17 206.019501 202 206.229568 18 208.036331 59.394379 209.045685 126 210.051208 43 211.931732 23 212.06192 21 219.027908 194 220.03656 39 221.029984 25 223.02597 120 224.027283 17 225.034637 37 228.909637 18 231.034332 22 232.053833 34 233.045395 47 234.045532 22 234.507599 18 235.05661 17 237.039581 311 238.045975 118 239.049469 18 240.048599 17 240.886536 18 240.973877 18 243.083374 23 245.048706 17 247.031326 44 248.030853 18 251.052261 27 254.245743 18 255.051727 1218 255.114944 18 256.059662 164 257.057556 17 258.057587 17 259.019714 29 267.055756 22 269.064636 43 271.095764 21 274.083954 19 279.053925 95 286.666687 30 294.138641 22 297.058472 98.734642 297.157166 23 298.053711 27.282961 298.077026 18 302.885498 20 308.876678 38 311.19162 25 315.06665 21 317.205872 18 321.677979 18 327.060242 20 327.401306 17 329.007965 21 330.444916 20 332.132202 22 333.180542 18 342.104919 29 345.940338 21 346.655762 20 348.079498 20 357.076447 18 359.097198 20 359.854004 18 362.330994 18 367.056976 24 370.526703 21 372.105927 18 375.63678 18 378.564636 18 384.391968 29 388.072601 21 388.97821 18 416.981293 24 417.10321 168 418.091858 73 421.301758 17 424.099243 22 430.123352 18 447.088623 20 463.114136 133 463.174835 54 463.250427 37 464.002472 18 464.125427 28 464.174713 18 464.811218 20 465.29306 23 466.049347 20 467.200439 67 507.137146 45 527.142822 18 539.232605 58 550.160217 18 595.183167 22 628.623596 27 664.336975 20 700.680908 18 707.38031 18 846.191711 19 885.527161 18 1030.425415 17 1043.4104 24 1057.073975 21 1092.492554 22 1100.36145 21 1132.309082 27 1164.751831 18 END IONS BEGIN IONS FEATURE_ID=110 FEATURELIST_FEATURE_ID=Aligned feature list peak:110 MSLEVEL=2 RTINSECONDS=174.69 PEPMASS=379.16069 FEATURE_MS1_HEIGHT=7.548E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:772"] SCANS=110 Num peaks=180 50.538185 22 50.587799 22 50.738033 21 51.137028 18 52.068707 31 53.097858 32 59.014977 34 59.048862 20 59.550003 20 62.353672 20 67.017532 17 71.012383 150 73.039459 18 74.024857 27 77.788269 22 79.894829 25 81.280846 18 83.012268 19 85.02697 20 87.008072 18 88.032707 23 89.025131 454 89.412682 24 90.444977 18 90.929634 18 94.893303 25 95.165413 18 99.011276 41 99.917313 18 100.00959 18 100.894463 18 101.023643 156 102.029442 24 103.046539 27 104.991196 20 108.541931 20 111.683319 17 112.981453 21 113.023926 58 115.001106 18 115.582314 17 115.894608 18 116.033455 36 117.58931 17 119.034363 122 120.037315 21 123.449646 18 123.720512 18 124.992798 18 125.02597 48 126.053726 18 126.064606 18 126.768112 31 127.487663 20 129.006699 18 131.031769 58 131.669113 29 132.375107 18 132.887924 21 141.053146 21 143.033157 39 149.044708 242 150.112183 28 150.323837 27 151.87645 18 153.051849 23 157.033478 18 157.850616 22 158.093369 20 159.021759 18 160.06044 49 160.940353 35 161.048065 64 164.557571 26 169.035751 26 171.915283 18 173.061096 33 174.003296 20 174.040527 54 174.724731 22 179.052917 40 183.238525 18 186.089264 25 187.294907 26 188.655945 17 190.945358 20 191.058563 163 195.722504 17 204.909653 34 208.028717 18 209.169998 22 213.077805 18 215.033081 31 215.890671 18 219.180923 24 221.070419 24 221.131149 18 225.964218 18 232.472992 18 235.045822 17 235.924942 45 238.99086 19 239.92366 19 242.98642 52 243.085205 19 244.068604 17 247.120361 28 253.141373 18 255.058487 19 255.34433 30 263.969269 18 266.662872 19 275.960876 20 277.041443 21 287.163452 19 289.056549 17 289.983246 18 291.070496 24 295.941132 18 311.171265 35 312.161285 29 313.602631 18 316.476837 18 318.088409 26 321.18219 23 328.227356 24 332.103729 20 333.059814 18 336.07663 18 341.545776 17 343.537598 18 367.078613 18 379.099121 36 379.166718 228.375931 380.167877 98 381.116852 18 381.194153 18 383.1203 20 391.530579 18 397.110779 18 404.681122 24 407.161743 20 411.317291 36 417.0961 18 456.843079 21 463.116455 40 468.2052 18 472.597382 17 492.245117 22 493.123749 18 507.125397 17 542.313049 20 549.130737 30 549.177917 18 567.234497 35 571.274597 25 579.173645 22 632.194763 20 650.237305 18 665.13562 18 678.264832 22 700.353088 18 722.387085 34 769.211792 17 774.274292 26 856.388489 19 863.301941 20 877.337158 17 893.303833 18 970.251282 17 989.447144 22 990.515076 18 996.517761 18 1036.411621 27 1051.390137 19 1092.603638 18 1131.369873 19 1133.240845 21 1160.64856 20 1187.147339 20 END IONS BEGIN IONS FEATURE_ID=111 FEATURELIST_FEATURE_ID=Aligned feature list peak:111 MSLEVEL=2 RTINSECONDS=175.85 PEPMASS=424.24667 FEATURE_MS1_HEIGHT=5.342E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8:736"] SCANS=111 Num peaks=107 57.030991 26 58.00061 18 59.014851 156 68.156616 22 71.010147 58 71.953323 19 72.99926 25.000002 78.961212 40 84.994186 20 85.029953 38 89.023529 456 89.038986 23 99.007904 90 99.040459 18 101.023712 271 103.029243 28 113.022964 200 115.01619 18 119.03212 173 125.022247 27 131.03508 237 132.037979 29 135.310623 23 137.033127 18 140.01059 161 140.999969 18 141.016449 35 143.036774 55 149.047348 571 152.994644 70 158.032089 20 159.023972 26 161.045563 74 166.069321 24 179.055801 142 180.057602 21 184.826263 20 185.026199 20 187.037827 105 189.045685 20 190.04805 22 191.060333 137 193.045654 39 195.140518 20 196.037598 346 197.030365 21 197.050781 44 198.03598 18 214.048126 96 216.043442 27 217.147964 21 221.064911 43 225.035355 18 225.188385 26.999998 226.185226 20 227.201004 5434 227.510132 22 227.87114 20 228.206024 779 229.207306 108 229.548843 18 231.090088 23 233.04274 17 242.041214 18 247.120895 23 251.075882 90 252.079575 18 261.092041 20 269.146332 25 271.05069 18 294.189362 21 295.09433 18 305.065125 22 311.089355 26.886406 311.109741 18 314.133087 28 316.089355 18 324.170502 18 337.346558 18 341.428955 20 378.184906 19 379.160736 1303.637451 379.308655 18 380.160492 160 381.107056 36 381.159637 36 382.100739 18 383.288422 21 407.052429 21 407.246735 20 420.424622 18 423.092468 18 424.247467 1349 425.249939 226 425.404022 24 426.253113 55 426.371948 22 427.238403 26 427.303162 26 428.140076 18 428.244751 20 441.230072 17 471.639069 27 510.767456 20 517.952087 20 590.336975 18 954.257812 25 END IONS BEGIN IONS FEATURE_ID=112 FEATURELIST_FEATURE_ID=Aligned feature list peak:112 MSLEVEL=2 RTINSECONDS=176.56 PEPMASS=287.16088 CHARGE=-1 FEATURE_MS1_HEIGHT=1.232E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:787"] SCANS=112 Num peaks=230 53.678627 17 58.064205 21 59.014889 20 62.253548 18 62.27153 17 63.354546 24 64.154297 22 67.027885 36 67.658195 18 68.859085 22 69.467484 25 71.054993 22 74.021194 27 74.807098 24 76.670532 18 78.123909 17 80.683762 33 82.031906 84 82.696175 18 83.06015 98 84.044708 169.908401 87.004463 31 87.917702 30 88.623749 19 89.023972 39 91.754662 18 94.354477 20 96.045097 18 101.005928 58 101.072418 267 104.031654 36 104.690269 24 106.047119 18 106.070663 21 109.040466 379 109.469437 28 110.022934 40 111.007332 17 113.020081 18 114.092323 94 114.999435 50 115.096046 61 117.75631 18 118.528969 18 118.610611 17 119.013573 17 120.359673 24 122.099228 97 124.666023 18 127.024574 21 127.050636 1805 127.114273 18 128.034485 287.963104 128.053604 149.217361 129.026962 20 129.056366 18 131.556061 30 132.102997 18 132.221344 18 136.227036 23 137.783875 20 137.89444 21 138.093658 40 139.628998 20 140.019943 20 140.106735 314 141.091187 41.865612 141.106598 32.72414 142.508636 19 145.061996 2134 145.127594 18 145.278214 20 146.060272 116 147.025162 18 147.070114 45 147.296356 24 148.377213 18 154.172546 18 155.950211 20 156.102203 241 157.049835 26 157.50798 17 158.11882 736 159.100586 70.547966 159.125778 46 161.07811 18 163.445114 53 164.202484 23 165.099945 31.000002 167.511856 22 167.952393 24 170.016479 17 174.021957 26 175.021759 42 176.174332 18 181.131226 36 184.138168 36 185.140244 18 185.992661 21 187.097061 21 188.051926 17 188.556534 20 190.757935 18 195.564392 19 207.143784 43.9422 207.160034 35 208.148529 26 208.648666 20 209.037827 17 209.129135 46 210.13858 26 210.743774 24 212.448685 20 215.365616 21 218.989868 20 219.075775 19 220.624435 18 221.028671 24 223.144409 170 224.149063 19 225.159668 1641 226.164001 303.794983 226.390747 18 227.178192 33 227.772995 19 228.162613 33 233.122803 17 233.36792 18 238.133453 93 238.229248 19 241.250076 23 242.586197 17 243.171936 144 244.169434 104 245.61084 24 247.287537 18 258.686646 19 264.44165 17 267.893372 22 269.149139 655 270.15332 80 272.961975 18 273.60788 30 274.328705 19 279.197754 20 282.162415 39 287.161926 3049 288.026459 18 288.164337 441 288.332367 23 289.085876 21 289.170349 77 291.091309 20 293.047241 18 297.492188 21 298.201843 21 302.25528 18 304.410492 21 305.410767 19 306.014618 19 317.255432 33 317.492065 18 317.707031 21 319.972015 19 324.839203 19 326.616089 20 328.157379 22 334.847137 18 335.605682 17 337.185699 18 339.202332 19 339.733429 28 343.461212 28 344.040222 18 345.121094 28 347.177063 17 347.71701 18 352.550323 42 372.092194 20 374.090057 18 374.343567 18 375.467285 20 379.148499 18 389.181488 51 393.101227 18 393.41037 21 400.279053 18 413.333008 26 416.666504 41 427.997925 19 457.424103 19 459.554199 18 469.322083 18 497.574127 20 504.845245 22 536.310364 26 553.145447 19 557.165833 18 564.787354 18 565.230713 18 578.667786 30 600.202148 33 600.822083 17 615.775757 18 618.230713 20 663.781982 26 668.117432 20 700.43689 18 712.29248 20 716.494019 23 782.286316 20 826.490723 20 849.364868 27 866.456055 18 869.409912 17 882.441406 18 901.420654 17 902.505249 18 941.511658 20 961.465271 34 974.558167 18 984.533081 19 986.580078 29 1006.132446 28 1031.531494 27 1090.545288 18 1114.980469 20 1152.566406 20 1185.572632 20 1198.429688 18 END IONS BEGIN IONS FEATURE_ID=113 FEATURELIST_FEATURE_ID=Aligned feature list peak:113 MSLEVEL=2 RTINSECONDS=177.66 PEPMASS=151.02565 CHARGE=-1 FEATURE_MS1_HEIGHT=4.036E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8:717"] SCANS=113 Num peaks=110 50.162861 20 50.369671 35 50.493782 24 52.276257 19 53.013031 18 53.284157 30 55.439968 18 57.9146 47 59.014854 17 64.762932 21 65.998482 150 66.315613 22 67.002937 40 71.309937 18 73.769173 18 80.026649 134.309769 81.02845 20 87.370308 20 95.109123 25 99.597038 20 99.790436 20 100.839523 17 102.265656 18 105.329071 19 106.464157 22 106.980705 18 108.019615 8874.369141 108.062859 20 108.212654 19 108.407112 17 108.676918 20 108.722969 25 108.998215 17 109.02253 707.021851 110.393814 20 111.02729 20 119.291924 18 121.732536 21 126.028084 20 126.907715 35 131.825668 19 133.016312 214 143.116516 18 148.06662 20 149.188431 18 151.026016 14737.861328 151.367676 24 151.411224 20 151.660431 17 151.940674 18 152.028214 827.940247 152.531601 18 153.033951 96 154.034576 18 155.002258 38 156.33049 24 158.247986 29 158.685074 26 160.388443 17 174.67926 22 174.795242 20 177.884979 20 182.789429 18 188.679764 17 190.011917 25 191.138626 30 192.15802 17 192.493027 18 199.279373 22 200.927902 23 208.080231 34 217.460159 18 218.302765 21 218.710403 17 221.892685 29 228.755829 18 237.160324 20 245.246338 35 260.673828 20 262.188568 40 262.392731 18 280.56601 36 290.099823 18 306.572479 18 310.11496 20 329.512756 24 345.735657 19 350.239624 24 352.905029 18 368.942139 18 374.165222 18 382.903595 21 397.611084 19 402.570007 27 406.152863 18 423.890289 40 468.430328 25 470.219208 31 512.420593 20 531.077209 22 577.629639 27 590.417542 31 646.302856 18 691.509766 29 719.270325 18 719.521362 27 1101.642578 34 1146.765015 22 1156.410889 26 1159.47229 26 END IONS BEGIN IONS FEATURE_ID=114 FEATURELIST_FEATURE_ID=Aligned feature list peak:114 MSLEVEL=2 RTINSECONDS=178.04 PEPMASS=89.02364 FEATURE_MS1_HEIGHT=5.112E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:816"] SCANS=114 Num peaks=114 53.751568 20 57.232967 23 57.960667 22 58.902439 23 60.006142 17 60.365498 18 62.040573 18 63.338791 18 68.291649 25 69.505188 18 72.173241 25 72.370056 20 75.282944 18 75.563377 21 75.743187 21 75.818375 22 75.937042 25 77.122971 18 77.80529 20 79.39473 18 79.560646 22 80.4459 21 80.672691 18 81.387192 28 82.456284 20 83.849091 20 86.975349 18 89.024124 83 90.03035 24 90.621719 20 92.929512 22 98.609451 25 103.642113 18 104.499611 25 105.075195 25 113.020981 20 115.0662 20 116.602493 23 116.868668 21 123.730431 18 129.019272 30 130.022278 17 133.012863 24 139.076096 20 145.059509 22 158.415268 18 167.061371 25 172.946259 18 179.859985 18 187.023209 22 197.769058 20 199.077728 20 200.014343 20 212.767212 18 213.419724 18 222.400757 51 223.05661 33 229.380417 19 231.585495 20 233.018051 18 254.136276 17 254.810837 35 256.672546 18 259.062378 20 263.524139 20 264.102844 19 279.828827 19 288.753021 18 296.504395 22 297.28537 19 302.937683 17 310.214386 18 316.135895 17 327.184753 19 331.176819 17 334.521149 18 351.806732 18 351.975403 17 359.640472 18 380.127716 18 390.63028 25 399.145966 20 415.217926 17 416.210388 18 423.098175 40 442.524811 25 455.919556 19 499.222473 24 508.479706 18 546.209778 26 569.314392 24 576.401672 20 641.591675 17 682.875244 18 683.121033 42 688.492737 19 691.128662 17 705.356628 18 734.763184 18 736.391724 18 755.207153 17 774.527405 30 778.730774 21 785.176086 27 793.516174 17 837.168518 19 863.190735 23 936.480652 18 981.472046 30 987.395081 20 1081.564087 20 1087.345093 17 1138.543701 18 1178.317505 24 END IONS BEGIN IONS FEATURE_ID=115 FEATURELIST_FEATURE_ID=Aligned feature list peak:115 MSLEVEL=2 RTINSECONDS=178.08 PEPMASS=135.03065 FEATURE_MS1_HEIGHT=6.818E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8:609"] SCANS=115 Num peaks=88 50.065231 18 52.421112 30 52.529049 21 64.514496 19 65.01342 105 65.999229 18 66.01123 38 67.105591 18 68.569473 20 73.030479 26 76.018456 18 78.812988 17 79.955711 24 80.965561 17 81.948868 82 82.309113 31 91.064644 18 92.024818 1861 92.528519 20 93.008354 17 93.027679 154.659653 94.434586 18 94.796333 19 102.927284 18 105.718323 18 106.026619 63 107.036469 42 116.001526 18 118.855247 18 133.015289 45 134.048874 36 134.895569 34 135.031006 1858 135.891693 20 135.971695 44 136.031952 81 136.395523 18 136.991562 18 137.032089 18 138.017456 41 142.260559 34 142.731277 20 151.025711 38 152.02272 20 152.03717 19 162.66275 35 177.527328 18 177.760696 18 181.743683 25 208.980911 19 212.573807 31 214.029221 21 246.439362 23 267.429688 18 271.160187 19 274.181732 28 293.352692 30 302.054108 22 311.438629 29 315.084351 24 318.009674 24 329.42688 18 334.22995 18 336.793671 26 342.110779 19 344.473267 22 368.120026 17 369.911591 24 414.726654 26 437.271515 18 439.058563 17 461.913727 17 465.266663 20 476.165375 18 476.722015 18 487.602386 18 505.295715 17 521.533203 20 545.175537 18 720.666504 19 797.651123 18 823.678711 24 1103.677124 18 1170.93811 20 1178.059082 28 1185.672485 19 1189.543701 25.000002 1198.292847 18 END IONS BEGIN IONS FEATURE_ID=116 FEATURELIST_FEATURE_ID=Aligned feature list peak:116 MSLEVEL=2 RTINSECONDS=179.94 PEPMASS=299.07637 CHARGE=-1 FEATURE_MS1_HEIGHT=1.338E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8:714"] SCANS=116 Num peaks=158 50.624233 24 51.390137 19 56.994843 18 57.031925 18 59.013359 618 59.038811 22 60.589485 20 61.016857 25 63.205959 22 64.631302 18 71.013268 388 72.016716 40 72.057266 26 73.029045 21 73.039368 18 74.031822 18 76.538567 17 79.955963 22 80.11235 34 81.510445 19 83.014984 17 83.755928 18 84.975792 21 85.030777 97 86.032921 20 87.010201 39 89.023773 989 90.027542 17 91.026382 39 91.46888 21 92.024689 55 93.032494 297.098145 94.039452 24 95.012222 57 97.029015 18 97.065262 30 98.08519 18 99.554626 22 99.92701 21 101.005478 24 101.024178 759 101.565002 20 102.025093 56 106.825089 18 108.158104 21 108.998322 54 109.064468 18 113.024673 670 114.02713 19 117.018097 18 117.880554 21 118.041847 20 119.033783 431 121.030289 38 127.075447 26 129.083908 19 130.051086 19 130.236237 20 131.029541 18 133.005585 23 133.024918 18 133.130249 18 134.210617 24 134.402786 18 135.042526 158 136.017166 275 137.023865 2554.919678 138.025146 266 139.025146 18 139.782654 22 141.138657 18 143.021759 18 143.04158 29 143.747849 18 143.88295 18 143.926727 19 144.92598 38 145.014267 38 145.976654 18 147.045563 18 147.99115 20 151.039169 425 152.041595 46 162.044357 18 163.040436 40 164.128906 20 165.026428 40 165.986633 19 167.949875 18 167.970367 41 169.487534 18 169.623871 20 173.024796 32 177.699799 18 179.03508 1451.233765 180.037354 162 183.01712 17 183.101288 21 184.00383 20 185.858948 18 186.077591 27 187.366608 20 189.024826 23 191.051712 18 192.033463 18 198.707245 18 208.046371 27 209.047745 87 210.002884 20 210.040314 34 211.318863 22 213.99675 20 217.391602 18 217.467926 17 218.996643 21 239.056549 464 240.060074 63 240.479645 24 240.518738 18 241.062103 18 241.874237 24 242.647751 20 247.623138 21 255.228348 36 257.587952 20 271.551422 24 274.041534 17 281.138489 27 298.100922 18 298.155548 62 298.255951 22 298.295013 20 299.076904 2049 299.148712 37 299.256042 60 300.082672 260 300.98996 20 301.080536 20 301.156799 17 301.175781 21 302.086273 29 316.40567 19 359.274689 20 368.276947 18 442.646637 18 477.892609 17 508.299011 22 792.502441 22 939.181152 17 992.386963 18 1027.29834 18 1106.549927 23 1113.621826 41 1115.584473 18 1130.330444 28 1153.628052 25 1168.525391 18 1175.856079 18 END IONS BEGIN IONS FEATURE_ID=117 FEATURELIST_FEATURE_ID=Aligned feature list peak:117 MSLEVEL=2 RTINSECONDS=182.34 PEPMASS=305.0694 FEATURE_MS1_HEIGHT=5.204E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:840"] SCANS=117 Num peaks=185 51.125397 25 52.533539 29 56.447285 22 56.874413 22 61.987785 198 62.323086 18 62.867363 25 63.109932 18 63.939819 18 65.63118 22 69.708549 18 71.01284 71 73.029076 17 74.026512 20 79.009743 23 81.033073 30 83.047157 31 83.641731 17 85.012215 28 85.028702 37 85.064423 17 85.996445 18 88.006393 22 88.039719 35 88.986053 19 89.006516 20 89.024605 170 89.743942 17 95.16317 17 96.440041 20 97.03949 18 99.008369 70 99.053513 34 99.093674 17 100.935265 27 101.019768 27 106.030754 23 109.027977 57 109.404305 18 111.079514 18 112.008926 18 112.785835 20 113.011513 41 114.024834 256 114.047783 18 114.988609 33 115.004807 124.412949 115.020836 696.587036 115.048347 19 115.978004 18 115.995552 42 116.022423 38 116.925392 23 117.022255 21 117.049721 18 117.474915 18 117.924103 23 118.017685 22 122.534157 21 125.022919 41 126.026108 18 126.94799 43 127.038467 99 127.87336 18 127.913673 20 129.020035 19 131.035706 21 132.035477 107 134.037842 18 135.00679 21 138.189819 27 139.020935 43 139.932907 18 141.017944 22 141.042618 20 141.066864 58 142.027832 21 142.051529 29 143.036392 43 144.049728 27 153.014801 46 153.397354 26 156.039001 81 157.032104 301 158.885117 18 158.938065 25 159.010895 25 161.024231 20 166.050125 20 167.943604 20 169.035736 17 171.063065 18 172.046982 23 173.026108 45 173.059464 19 173.990967 33 178.049332 19 182.935928 21 184.316345 18 184.4655 20 185.024384 42 186.046387 284 186.809998 18 187.040955 2212.019531 187.226242 18 188.046875 256 189.040405 24 189.068192 178.733612 190.054352 20 190.068924 20 191.047409 17 191.078964 22 196.990417 21 199.046082 20 200.04422 21 203.953568 26 211.014618 18 215.032669 20 215.978455 24 221.119934 25 223.829697 20 225.955856 35 226.034363 17 227.908798 18 228.358231 25 233.051559 33 239.30574 18 243.097321 18 245.050705 47 245.24855 18 252.11377 20 254.961868 17 258.072449 140 258.405121 18 259.062744 548 259.959808 19 260.026672 20 260.067657 92 261.09079 31 265.992126 20 275.056854 21 276.08609 39 278.080902 20 287.06839 57 291.06778 18 297.802582 22 298.088013 18 304.077942 133 304.956879 18 305.069702 663 305.180511 87 305.950195 18 306.059509 32.405876 306.078033 70.944939 306.139893 18 307.045776 27 307.072815 18 307.160675 38 307.203796 18 308.172363 29 309.173462 20 327.332153 19 348.025909 22 361.166473 20 369.061493 21 374.178375 18 403.126465 18 414.714539 19 435.954407 30 467.144531 52 552.816956 19 644.506714 18 738.743591 31 758.491394 22 783.662964 21 787.544312 18 788.536987 17 792.180115 17 833.253784 30 864.604431 18 942.29187 21 1040.438843 17 1122.462158 17 1164.41626 18 1196.729492 18 END IONS BEGIN IONS FEATURE_ID=118 FEATURELIST_FEATURE_ID=Aligned feature list peak:118 MSLEVEL=2 RTINSECONDS=184.15 PEPMASS=279.03816 CHARGE=-1 FEATURE_MS1_HEIGHT=6.221E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8:682"] SCANS=118 Num peaks=65 73.948082 18 74.572029 19 79.961143 24 82.029091 131 82.95903 20 83.033516 18 97.068123 17 106.036415 22 107.90065 18 108.043266 22 110.024605 665 110.435448 22 111.019455 680 111.491905 24 112.005508 22 112.02224 23 112.540024 19 116.927437 42 119.919464 20 122.026573 62 124.035439 33 131.104507 17 132.033203 64 140.034119 101 141.041031 17 147.049942 18 149.825043 18 152.039886 270.320374 153.028412 234.655823 154.213913 20 162.895081 22 163.911331 18 180.809433 22 182.035751 22 183.947067 18 187.0242 21 190.910217 18 193.004166 28 193.883072 18 197.599182 17 200.055847 567 201.056564 90 204.941986 46 207.846207 18 209.038162 17 209.116608 18 216.928635 19 216.979462 22 219.837723 35 221.848938 18 234.118774 19 234.936417 38 239.141983 18 240.344406 19 243.061691 2180 243.827484 17 244.060501 208 245.069992 46 245.139816 18 263.87561 30 279.040924 92 280.894775 18 281.039246 68 538.095642 18 863.572205 20 END IONS BEGIN IONS FEATURE_ID=119 FEATURELIST_FEATURE_ID=Aligned feature list peak:119 MSLEVEL=2 RTINSECONDS=184.16 PEPMASS=495.11753 CHARGE=-1 FEATURE_MS1_HEIGHT=1.263E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8:813"] SCANS=119 Num peaks=179 51.968079 30 56.041458 18 69.631134 23 79.032478 24 85.025665 24 89.025406 17 92.356422 20 94.980186 18 99.421867 22 100.002937 108 104.030731 27 108.047897 19 110.875511 18 111.019684 7424 111.140999 17 111.280022 18 112.023247 582 112.071556 18 112.43615 20 113.024963 103 113.653877 20 116.01992 20 118.276543 18 119.609741 18 122.036316 24 123.044601 75 132.644302 21 136.051773 22 139.644592 18 140.080856 17 144.465927 18 149.024307 18 152.999405 23 154.263153 18 157.01149 18 158.034836 30 164.032043 22 165.045258 26 166.02858 20 172.047913 25 173.185638 19 177.035965 18 180.067337 69 182.049545 22 191.022141 18 192.067551 95 198.044678 30 199.036285 17 200.048828 18 205.050201 18 206.044235 83 207.016968 17 207.047211 22 207.10704 18 210.082596 18 211.129974 17 218.981689 21 224.055618 253 225.055054 76 227.030685 21 240.059723 26 241.053024 63 241.105103 18 243.058838 37 244.064743 24 249.692627 21 251.13678 21 252.089249 18 253.093796 17 254.066742 1248.258179 254.324265 18 254.799805 19 255.040436 20 255.069153 56 256.238739 18 260.959564 18 261.080627 17 265.137634 18 269.056061 18 269.877838 18 270.067047 1013.64978 271.063354 4666.134277 271.997437 18 272.068268 531 273.070068 176 274.071472 23 276.179382 17 278.797058 20 283.082855 21 289.017792 20 297.239044 20 298.249176 19 311.179443 19 312.17041 40 314.206818 47 314.981995 18 315.020111 20 321.06897 17 325.074402 18 327.185638 20 329.061493 18 335.690399 20 339.097809 32 340.080841 20 351.223267 17 361.192963 18 375.127563 18 382.095673 521 383.089813 1982.284424 383.15509 41 384.090637 392.090179 385.087463 75 411.918579 26 417.245117 19 418.107117 17 450.301971 18 452.287445 21 453.101257 20 459.108978 38 473.283386 22 475.84906 22 482.425659 20 494.119049 260 494.284637 54 495.117859 1510.650757 495.215332 24 495.28067 64 496.118195 574 497.124603 80 497.28241 18 498.128754 19 499.124542 18 512.025208 18 635.213806 27 656.182739 22 661.233093 27 669.99823 18 677.830566 27 717.453003 22 733.485413 18 758.484863 49 759.514221 18 760.528381 21 761.523743 20 762.514404 20 768.405945 20 774.351074 18 785.515747 17 786.526489 18 787.241394 18 789.543762 18 804.112976 24 830.501404 18 831.492615 30 833.504822 39 834.516724 39 835.525208 19 841.188965 22 855.489685 18 859.546082 44 867.535278 20 870.466919 18 903.091736 17 910.409851 27 925.445068 52 933.442078 23 953.501282 18 963.598145 22 977.541199 18 1002.555725 17 1049.953613 19 1052.550415 18 1082.555786 18 1096.037231 19 1149.392578 44 1158.338501 18 1184.154541 24 1184.490356 19 1195.606689 18 END IONS BEGIN IONS FEATURE_ID=120 FEATURELIST_FEATURE_ID=Aligned feature list peak:120 MSLEVEL=2 RTINSECONDS=184.18 PEPMASS=200.05597 FEATURE_MS1_HEIGHT=9.851E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8:843"] SCANS=120 Num peaks=146 51.025379 18 52.840649 29 55.276283 18 61.985744 17 62.262882 26 64.345985 26 65.46402 19 66.566673 20 68.066757 21 78.272652 26 82.029709 57 83.014694 20 83.931335 36 84.045845 20 85.740646 28 87.007866 45 89.023956 78 91.057411 22 94.605316 18 95.033897 28 97.396706 19 99.003967 18 99.926086 39 100.369926 23 100.92292 18 107.835808 29 110.023483 115 110.947624 23 111.244308 17 111.940399 18 113.022316 20 113.054787 18 114.020485 19 114.937691 39 114.990028 18 118.168198 29 119.055168 31 122.026413 78 125.031502 54 125.958397 18 127.020866 24 127.039818 24 127.957512 18 129.04982 18 129.928726 19 130.986633 24 131.049347 18 132.024765 20 133.094604 27 136.038773 23 136.976837 17 139.114883 43 140.038574 23 141.004303 18 141.598801 18 142.926239 21 143.015854 19 146.47641 17 149.514893 18 151.998062 25 154.027679 20 155.029892 25 155.952759 76 156.94809 78 157.065094 19 157.07695 20 157.931763 18 157.965668 20 159.885574 18 174.011047 20 175.019669 21 185.059128 18 187.057831 24 195.096832 38 198.747757 22 199.005646 18 199.033051 32.341534 199.04863 20 201.004425 20 201.063934 30 202.032913 18 203.029251 48 215.095627 20 219.961197 17 223.660919 20 242.561798 19 243.059723 18 254.056458 21 263.566895 18 271.058777 55 271.576324 19 275.920837 24 281.037323 17 291.12973 22 297.117493 18 300.679474 17 311.177643 23 314.530884 18 326.192352 18 339.192871 17 340.540009 20 379.155029 27 387.693726 20 456.351562 18 473.128601 25 494.118317 24 495.12854 35 496.130981 26 496.238953 28 505.13501 20 523.926575 18 528.227112 25 542.073975 19 579.115479 18 585.323425 18 609.212646 20 658.023682 18 676.474854 18 701.199036 18 720.522156 18 723.234253 21 735.408325 20 752.223511 24 775.263184 24 776.527893 20 786.503601 22 838.295227 18 880.103699 22 933.301697 20 948.31311 18 964.325317 18 970.34021 18 978.313354 20 992.170532 25 997.440857 17 999.322021 17 1058.391968 20 1078.251587 20 1101.251587 18 1131.387085 18 1140.325195 17 1154.323853 40 1160.316895 18 1174.192993 30 1178.602539 24 1182.363281 21 END IONS BEGIN IONS FEATURE_ID=121 FEATURELIST_FEATURE_ID=Aligned feature list peak:121 MSLEVEL=2 RTINSECONDS=184.18 PEPMASS=243.06152 CHARGE=-1 FEATURE_MS1_HEIGHT=5.268E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8:740"] SCANS=121 Num peaks=198 55.0163 20 58.10421 25 59.013306 20 59.857964 21 61.81226 18 66.034309 530 66.068123 18 66.341682 17 67.031464 29 68.014359 60.714516 69.037605 58 71.012978 88 73.02092 18 76.70253 31 78.032822 37 79.95591 18 81.028206 50 81.3946 18 82.029129 2435.733398 83.010979 79 83.029915 84 83.932732 20 83.969666 52 84.043533 85 87.008423 44 88.977295 18 89.024887 94 90.035652 24 91.268379 24 92.019867 82 92.045525 20 94.027733 129 95.01268 39 95.039101 58.015438 95.055397 22.283121 96.04512 131 96.086182 20 97.044907 18 98.032883 22 98.066322 21 99.92778 104 101.014374 22 101.92276 18 103.918228 18 104.034439 22 106.028625 53 108.0075 70 108.046074 331 109.016106 59 109.049164 17 109.418289 18 110.023933 9931.703125 110.061745 38 110.164192 18 110.527054 23 110.605331 47 110.709808 17 110.720581 24 110.963669 18 111.025421 793.188782 111.082367 18 111.271248 22 111.808479 22 111.96357 18 112.025085 56 112.161095 18 112.503143 22 113.025291 54 113.741737 19 114.023209 39 115.020958 79 115.237244 27 115.504547 18 116.932426 29 117.018661 109 119.918953 18 120.045151 109 122.02433 884 123.0261 133 123.950577 20 124.040871 303 125.040359 56 126.026291 62.307392 126.048981 21 126.92881 30 127.057144 28 127.955231 79 128.031921 18 132.03212 62 133.088028 18 135.057602 18 136.001648 23 136.042847 36 137.064163 30 138.01712 43 139.062515 25 140.034409 1071 141.0354 46 142.046997 20 149.827164 21 149.876892 23 151.162552 18 152.03511 1731 153.031769 692 154.039017 45 155.086502 17 155.953445 172 156.953171 43 164.032303 78 165.035233 17 166.082687 23 170.046143 18 176.159149 18 181.018539 18 181.038986 18 182.047333 105.146812 183.041183 18 183.944183 22 186.043106 42 187.042938 95 194.079926 38 194.410477 30 197.956863 22 199.638962 18 199.976456 21 200.055374 2719.057617 201.009399 18 201.057434 285 202.059235 56 202.20755 18 215.04686 18 222.377182 18 223.952759 73 224.160141 20 224.87001 20 228.074783 17 236.728058 22 242.007904 18 242.078308 18 242.141846 18 243.060959 2089 243.159286 21 244.064392 206 245.036621 20 245.05545 18 246.006836 23 246.065704 45 248.439346 20 251.989868 17 255.230057 17 262.97464 20 265.147369 18 265.377045 18 267.05127 17 274.358917 18 277.985535 22 287.066895 30 289.231476 30.000002 297.145996 18 311.175903 19 312.170441 37 319.92923 22 380.403473 19 385.219971 18 396.944824 18 404.022125 23 410.122009 23 414.524689 18 415.329193 29 429.600525 18 481.243622 19 495.120941 40 509.217133 17 547.634705 17 567.631287 95 579.633789 17 620.211975 20 645.440369 18 657.499207 18 684.269104 20 685.106628 18 758.499939 20 759.496399 22 786.540161 21 787.523499 28 808.492981 18 824.30603 18 904.631348 19 909.513428 18 934.463379 52 966.165161 21 1008.499512 17 1013.237244 18 1026.184937 18 1060.588623 20 1068.460083 19 1103.359131 17 1139.25293 23 END IONS BEGIN IONS FEATURE_ID=122 FEATURELIST_FEATURE_ID=Aligned feature list peak:122 MSLEVEL=2 RTINSECONDS=184.90 PEPMASS=254.06651 FEATURE_MS1_HEIGHT=9.999E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:865"] SCANS=122 Num peaks=202 53.209328 21 55.393288 22 56.016834 47 59.012127 30 60.994263 26 64.999199 18 69.034874 18 71.013901 49 73.616516 26 77.56636 20 79.440544 20 80.650032 23 87.901268 24 89.024948 93 91.017548 80 91.672066 22 92.658432 38 93.039139 31 96.076477 22 98.056732 18 99.006302 56 100.003975 795.409241 100.874969 17 101.020622 63.299015 101.033867 28 102.010246 33 104.033875 45 105.036255 49 107.048149 17 108.01963 180 109.024139 17 110.20224 20 111.045288 52 115.019768 202 117.589294 17 120.003899 18 120.033363 17 122.037971 553.007812 122.972946 20 123.043976 639 123.96344 28 124.047401 40 125.24189 17 125.980499 19 127.98391 18 128.92836 19 129.018677 18 130.012054 22 130.936646 38 131.017578 18 133.026917 18 133.06665 17 134.039993 18 136.016006 281 137.024582 20 139.01825 40 140.89653 18 141.97319 23 142.047302 134 145.91423 18 146.025864 23 147.033295 25 147.629562 22 150.029572 72 150.066681 50 151.040909 74 152.010818 18 154.997208 20 156.322922 18 156.901489 40 158.918228 18 162.020065 28 162.051208 17 163.00264 17 163.02948 24 163.065659 36 164.03299 467.238098 164.868805 30 164.975311 18 165.04126 389.680847 166.049484 68 167.037384 70 167.063034 25 168.030151 22 169.966125 17 172.698395 21 174.015991 36 175.024567 36 176.032562 271 177.042694 201 180.067993 371 180.345474 28 181.068863 37 186.04129 75 186.138107 20 189.042709 17 191.020966 247 192.023926 18 192.064972 864 193.037033 67 193.069443 60 194.581543 20 195.054626 21 195.418091 19 196.015427 53 196.9561 24 199.023148 18 199.847733 30 201.834808 18 205.007889 20 205.051071 17 205.952881 23 206.047379 321 206.075516 17 207.048553 40 208.029434 20 208.066299 46 209.030304 24 209.063141 31 209.967392 32 210.073471 39 211.04274 18 212.028168 20 212.918747 20 212.970932 22 213.124649 23 217.036652 18 218.341309 18 224.057968 543 225.06189 59 232.092453 22 234.326279 26 236.992844 17 237.282654 25 253.072708 18 253.116028 21 253.143845 25 254.06459 476 255.036591 64 255.069672 39 255.242584 28 256.070374 25 256.159271 18 256.203522 24 257.095551 18 259.172699 17 267.170532 20 285.15506 29 339.100708 22 339.183533 18 375.138062 20 387.21637 20 399.008331 21 413.281982 19 415.969513 18 417.516144 21 422.738831 18 435.102325 18 441.085663 20 453.150421 18 463.783783 21 465.552368 18 495.124664 19 500.151276 18 501.149628 20 509.128998 18 544.043762 24 558.119507 39 563.144287 18 576.303467 29 643.308533 22 662.350647 18 687.279602 18 696.153564 19 698.201172 22 724.157288 17 729.311462 21 730.467041 18 735.394958 18 772.258423 18 802.120056 34 816.168701 17 826.138916 18 902.818115 48 926.623718 18 929.339905 24 937.044067 22 938.406799 17 997.134888 17 1011.296204 20 1041.260986 23 1074.299072 17 1081.686646 17 1104.433716 18 1107.268921 18 1129.945435 22 1146.561401 22 1147.449463 17 1150.372314 21 1169.591797 20 1179.183594 17 1179.270142 17 END IONS BEGIN IONS FEATURE_ID=123 FEATURELIST_FEATURE_ID=Aligned feature list peak:123 MSLEVEL=2 RTINSECONDS=187.19 PEPMASS=441.16111 CHARGE=-1 FEATURE_MS1_HEIGHT=1.275E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:890"] SCANS=123 Num peaks=186 50.375202 21 53.079845 21 55.197845 17 56.513371 17 59.012932 622 59.383446 17 59.949482 19 60.669441 26 68.382812 38 70.399414 26 71.013916 1043 71.552834 23 72.015694 17 73.029961 138 73.101105 17 77.024033 26 79.018921 74.524849 81.031059 36 82.04258 24 82.071846 33 82.583481 18 83.54998 22 85.026268 73 87.044945 22 87.115532 30 89.02375 2106 89.82737 21 89.991188 22 90.028419 155 91.89473 24 95.259384 20 96.960625 110 97.033829 137 97.495071 31 98.033928 18 99.00956 51 101.022438 554 101.060242 1681.851318 101.103203 20 101.510635 24 102.027977 98 102.065437 18 103.029243 17 103.150414 27 108.026672 19 111.001564 20 111.038666 18 112.014343 32 113.023193 312 115.03746 38 118.46508 21 119.030663 80 123.006157 21 125.023552 849 125.084297 17 125.786934 18 126.029846 18 128.033188 37 129.018677 20 129.103256 18 131.034836 1085 131.699402 18 132.309357 18 133.044876 29 133.209671 19 136.929321 22 138.984924 20 139.036301 86 143.034058 159 143.072372 18 144.039536 18 146.964218 18 149.045914 2358.545654 150.057724 168 151.049866 81 152.052002 19 159.033386 33 161.026596 19 166.518524 19 167.036453 21 169.014496 20 173.045776 39 173.085403 38 175.034103 47 178.207077 20 179.032593 18 185.075073 42 186.125015 22 191.055984 486 191.094421 18 192.048721 18 192.063644 24.141836 193.062698 38 193.255539 18 195.059586 18 197.05188 18 197.133499 17 213.645859 20 215.057663 72 216.359085 21 216.994186 20 217.476471 20 218.992554 20 220.14238 20 220.997055 48 221.063889 24 223.066681 18 225.866653 20 233.067093 395 234.018387 20 234.068802 54 235.046921 21 235.072983 27 247.108627 18 251.086914 24 253.452103 21 259.337097 19 265.148224 331 265.326477 20 266.154846 25 270.79364 17 275.068573 24 279.829926 17 288.830322 18 290.073608 21 292.174408 18 292.903107 18 293.086975 4037.18335 294.021393 19 294.043976 25 294.088318 472 294.170013 22 295.092041 127 296.096863 63 297.156799 17 299.720093 25 302.175018 18 305.059509 21 307.992065 18 308.016418 25 313.104065 20 319.065582 26 321.149292 19 327.629303 18 329.998962 23 342.34021 20 357.993225 18 358.187775 24 371.073303 20 376.167694 27 382.737061 18 395.035004 18 395.110809 18 395.156708 745 396.160797 152 397.095001 20 412.031769 17 413.272491 18 422.165588 18 423.087219 19 440.135498 21 441.15979 401 441.268127 55 442.173706 40 443.117737 23 443.170654 19 444.133514 20 444.161255 24 444.292786 18 449.004883 22 452.275391 26 467.236328 22 470.511017 17 472.516205 23 484.193848 28.999998 500.393402 20 570.204529 20 574.068115 31 580.248169 27 652.206604 18 666.062378 20 834.53479 28 917.857239 21 980.236389 20 1047.031494 23 1085.238647 23 END IONS BEGIN IONS FEATURE_ID=124 FEATURELIST_FEATURE_ID=Aligned feature list peak:124 MSLEVEL=2 RTINSECONDS=188.58 PEPMASS=386.14499 FEATURE_MS1_HEIGHT=8.347E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8:795"] SCANS=124 Num peaks=151 50.576187 21 64.385597 22 66.303551 18 73.026527 35 82.749153 17 83.927521 47 88.988853 17 89.050919 28 94.917648 25 99.945602 32 103.551323 19 110.599869 21 115.00148 18 117.013283 19 119.033127 23 122.154793 18 129.014862 20 131.090652 18 131.22229 65 133.176559 21 142.937759 19 144.920273 18 145.084732 20 149.841873 35 149.877853 18 150.043472 20 151.356705 18 154.945297 20 154.998932 18 157.049484 17 158.675583 22 160.212906 20 160.973755 17 161.042862 20 166.061844 18 170.014511 18 173.095596 27 174.898453 21 177.041809 69 178.086227 1346 179.094009 96 180.03421 17 180.356705 31 180.981216 23 181.975906 21 182.887451 20 182.906006 18 182.977325 18 186.006287 17 193.025955 25 197.046616 21 198.952957 20 199.948364 26 205.083191 18 207.011581 21 210.071701 18 220.428284 21 225.863892 23 226.021362 18 243.876953 17 246.014816 25 249.99913 18 252.650681 19 253.230484 21 255.122803 18 257.086334 21 260.571381 26 272.101105 25 278.476257 18 281.254669 22 283.834991 18 287.160461 20 293.992096 27 295.952362 47 297.040588 18 302.008026 19 310.030151 20 311.031799 31 311.173767 28 314.11615 18 319.097565 24 321.948669 21 339.195618 25 340.138763 44 341.177887 20 343.131958 20 344.26181 18 348.196564 23 350.19812 20 365.094788 38 367.890503 27 376.121155 22 381.059875 26 385.144836 39 385.287842 24 386.153046 180 387.14621 132 388.157593 41 402.101715 21 407.170502 18 407.396637 20 431.630066 18 443.207825 17 445.215088 18 449.093414 18 470.176239 27 473.284332 20 528.129211 18 609.190491 19 621.919434 22 656.601196 18 665.155334 18 688.496765 47 715.512695 22 716.530945 35 718.132812 20 734.895142 22 759.46637 20 787.509949 19 794.357788 18 799.555237 20 805.48645 85 806.501282 18 807.505615 17 808.511169 38 832.51355 51 833.526489 92 834.554077 18 835.503479 20 835.550964 18 858.539673 22 859.520691 20 860.558472 19 862.553589 74 864.552856 18 935.456055 17 953.48468 18 959.341431 18 960.467896 20 981.888367 17 1035.41687 17 1058.697021 20 1068.481934 18 1069.792603 20 1120.049072 18 1128.200928 20 1144.413574 17 1145.427856 17 1153.648315 21 1169.651733 18 1183.673706 18 END IONS BEGIN IONS FEATURE_ID=125 FEATURELIST_FEATURE_ID=Aligned feature list peak:125 MSLEVEL=2 RTINSECONDS=189.81 PEPMASS=423.09467 CHARGE=-1 FEATURE_MS1_HEIGHT=2.134E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8:806"] SCANS=125 Num peaks=233 55.019192 20 56.753155 18 59.013252 23 60.315807 20 61.011024 59 62.280499 19 71.014839 88.802094 73.239182 23 78.953163 22 79.01825 20 81.036133 97 81.707405 18 83.012901 20 84.013214 42 85.011208 188.557098 85.028244 172 85.315109 19 86.031548 20 87.005539 20 88.011665 17 89.005142 275 89.025253 17 90.008026 22 95.012817 43 97.026665 64 99.006668 116 99.924652 20 101.023285 120 103.018677 53 103.612106 22 104.426453 18 107.010307 43.708405 107.018784 19 109.027878 34 113.023834 337.475189 114.026093 58 115.0224 84.765839 115.408928 21 116.022423 24 125.024147 251 125.042847 20 126.024529 36 127.019226 572 128.140625 23 130.903641 21 138.02536 19 139.023239 18 140.701965 21 141.019699 245.013412 142.021667 18 142.085587 18 143.034363 123 143.998199 22 145.033768 65 147.029099 20 151.042465 20 156.034805 124 156.892014 18 157.031342 362 160.893524 19 161.048904 24 166.053101 22 167.025238 18 167.949921 24 168.032669 20 168.185226 18 169.03186 362.87561 170.037125 43 171.00119 21 171.026337 74 171.944839 17 173.024948 94 174.905106 20 181.037979 26 185.029648 18 186.039215 75 186.118317 25 186.904526 19 187.041321 248.590469 189.056305 25 189.907349 25 190.036423 33 192.067657 52 193.071808 17 199.043533 41 200.049484 18 202.947586 24 211.042465 17 214.040222 53 215.035736 615 215.075653 76 215.161026 20 216.040283 18 217.043076 20 218.031784 18 223.866226 18 224.032623 42 225.177475 17 226.958725 18 227.959274 17 228.055695 253.374542 229.052338 1185.453735 230.054657 114 230.762573 18 231.058136 43 232.05513 44 233.041458 139 234.115051 20 234.905411 18 243.072006 38 244.049652 58 244.924835 20 245.044281 83 246.057205 38 246.910385 18 247.972488 19 249.955307 17 252.073944 19 256.047852 34 256.100159 21 257.048187 39 258.059631 22 259.064697 208 260.061584 110.543121 265.115112 20 265.145752 35 265.203461 25 271.064941 184 273.067261 21 273.934265 18 274.062225 257 275.05719 2353 275.3797 20 275.928375 37 276.058899 273 276.201477 19 276.424561 26 276.916351 18 277.066284 141 278.929443 18 285.092499 18 287.048462 17 289.033569 18 289.065216 20 302.08905 18 304.070923 44 305.066223 395 306.06665 58 313.150665 24 316.069214 92 317.065674 327.721252 318.062622 41 325.187958 17 326.096405 17 330.081726 84 331.084473 493 331.855682 22 332.087524 88 333.085297 56.234245 334.094391 18 338.087616 19 339.125732 18 339.198029 37 340.194031 24 346.072418 20 348.101929 21 349.061859 25 350.017792 18 352.034515 19 362.075775 91 363.071014 433 364.078003 84 366.441437 18 376.030792 17 376.089233 293 376.265228 22 377.090149 1436 378.094574 202 379.099091 73 379.749847 20 381.114563 37 383.073669 20 386.913452 24 393.182526 20 394.136017 23 394.450897 17 395.103729 80 396.097748 18 396.201019 22 397.419769 19 403.143768 18 405.075745 18 406.974701 19 407.044342 24 407.941162 19 408.483002 20 421.362701 18 422.021423 22 422.098694 1773 423.094666 10765.695312 423.232697 17 423.294189 18 423.913879 17 424.098206 1956 424.189453 35 424.512115 18 425.101898 517 425.259583 113 426.108582 58 426.188324 23 426.230621 19 426.964569 40 428.288757 22 436.715515 24 506.516113 19 526.608948 20 539.119568 17 611.752319 19 619.294922 22 660.793335 20 712.941345 20 733.932678 18 805.49054 19 836.529297 17 991.061462 38 1020.534241 18 1050.585327 20 1077.24292 29 1097.214966 22 1099.010742 18 1152.436279 20 1171.485107 17 1172.73645 17 END IONS BEGIN IONS FEATURE_ID=126 FEATURELIST_FEATURE_ID=Aligned feature list peak:126 MSLEVEL=2 RTINSECONDS=190.03 PEPMASS=805.48721 CHARGE=-1 FEATURE_MS1_HEIGHT=9.316E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8:843"] SCANS=126 Num peaks=136 71.188972 18 75.018166 18 81.67498 18 89.802628 18 91.46537 20 116.926872 18 125.355019 21 145.527817 23 152.998444 143 157.04451 49 168.7565 17 171.004395 24 198.372955 26 200.098267 18 204.709732 18 215.065231 18 223.001495 89 224.004227 18 227.202621 20 241.008667 597 242.012405 51 253.217361 779 254.220581 17 255.235336 228 256.175476 20 256.235748 35 257.037933 18 257.952637 23 263.085693 34 279.230042 43 282.256073 21 288.413696 20 297.041718 146 298.046906 30 299.044067 20 300.733459 20 315.057983 56 316.610413 18 325.195892 34 330.885925 18 339.196716 18 343.753357 44 362.029877 20 363.196899 25 381.223877 21 388.010529 17 389.207794 366 390.210114 24 390.235016 20 391.219727 80 392.224396 17 400.675354 20 402.27417 23 407.204865 18 409.238953 20 410.246918 24 415.228333 20 417.241608 18 480.108765 18 514.871277 18 543.264954 19 551.129578 21 551.263977 371 552.258728 41 553.279602 221 554.177185 18 554.282471 105 570.274719 18 571.292053 18 572.289673 19 610.574524 18 648.234558 19 685.508972 18 688.529053 19 689.809814 20 697.1745 18 708.137573 22 717.531494 22 727.083496 25 744.478149 29 760.18219 18 766.291199 20 767.095642 18 788.518738 21 804.313721 22 804.477478 84 805.207581 24 805.388 31 805.48468 3282.725586 806.489258 1406 807.500488 3320.856445 808.503906 1181 809.38855 18 809.490601 36 815.184998 21 829.507751 22 830.05957 19 830.435303 18 831.494751 58 833.520569 245 834.523926 129 835.516846 135 837.536804 18 844.235535 25 847.483459 19 848.40509 17 848.84082 37 857.537354 22 858.518555 43 859.538025 59 860.515991 18 861.536804 84 861.725098 39 915.05603 21 927.540527 18 929.55011 18 932.523254 18 934.46936 18 941.548767 17 950.550476 21 960.362244 41 960.439514 18 961.484863 37 974.428467 18 1003.533936 22 1004.488037 19 1051.569214 18 1068.752441 18 1075.599243 22 1082.631226 18 1105.711304 18 1121.645752 18 1129.969238 22 1144.65625 18 1157.299072 37 1166.788086 20 END IONS BEGIN IONS FEATURE_ID=127 FEATURELIST_FEATURE_ID=Aligned feature list peak:127 MSLEVEL=2 RTINSECONDS=190.03 PEPMASS=808.5054 CHARGE=-1 FEATURE_MS1_HEIGHT=5.343E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8:850"] SCANS=127 Num peaks=55 134.992462 20 137.639862 22 152.99649 123 166.047638 18 175.975952 29 221.093063 24 223.004227 64 241.01001 202 241.683533 18 242.018173 18 244.024994 18 253.216461 257 254.2258 71 255.234375 293.268768 257.232056 21 259.014465 17 279.235931 29 283.256378 17 295.009521 18 297.041016 36 298.055756 23 325.187805 210 326.186066 17 340.080841 20 390.20871 48 391.223053 180 392.227417 62 551.254028 62 552.265137 36 553.270752 150 554.281738 45 555.279053 35 556.28595 20 558.014282 20 571.308289 59 572.289124 37 625.110718 18 674.251404 17 687.273071 24 723.805298 19 786.403442 17 796.383301 20 802.030029 35 805.533325 24.000002 807.168457 20 807.501099 2991 807.67157 19 807.733215 26.999998 808.503418 2521.874023 809.360168 18 809.510498 386 809.861267 20 810.451477 18 810.528687 98 811.535706 21 END IONS BEGIN IONS FEATURE_ID=128 FEATURELIST_FEATURE_ID=Aligned feature list peak:128 MSLEVEL=2 RTINSECONDS=192.74 PEPMASS=431.11893 CHARGE=-1 FEATURE_MS1_HEIGHT=1.87E6 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:925"] SCANS=128 Num peaks=438 51.512238 22 52.823349 19 55.017921 133 56.999069 38 58.439133 20 59.013111 8561.289062 59.041363 18 59.216076 37 59.463478 18 59.564613 30 59.713833 22 59.750351 19 59.766666 17 59.829144 17 60.016155 230 60.177471 29 60.473522 18 60.515926 24 61.017513 81 62.230164 19 69.001984 80 69.032524 40 69.737221 18 69.984467 21 70.382881 22 70.715912 22 71.013107 7779.011719 71.045746 18 71.13707 21 71.342033 28 71.376114 18 71.872154 46 72.016129 258 72.06324 21 72.157654 18 72.536743 19 72.584473 27 72.859009 24 72.993591 21 73.016769 37 73.029198 293 78.94677 21 79.015251 20 81.298241 17 81.820351 23 83.012451 355 84.022621 124 85.02903 968.542542 86.033127 49 86.760651 19 87.008148 221 87.030174 38 87.043785 54.321243 87.733231 20 89.023872 13556.547852 89.081757 18 89.302376 20 89.327942 21 89.644485 37 90.026863 420.798889 90.327065 18 90.542145 18 90.716011 23 91.027298 65 91.056839 195 92.005852 40 93.033836 1099 93.070396 27 94.035118 36 95.012955 454.996368 95.047577 40 95.518761 18 96.016037 19 97.027611 222 98.070107 20 98.443047 19 99.00753 72 99.048248 48 99.564743 18 101.023582 11775 101.148598 46 101.32766 39 101.501312 19 101.791527 26 102.027229 604 102.194527 18 103.013435 23 103.032326 72 105.019974 139.653488 105.036232 26 105.067078 36 106.041481 17 107.035545 36 107.052689 72 108.037537 17 108.057724 20 109.030472 127 109.064552 22 109.951683 22 111.045425 64 111.396698 17 112.013382 18 113.024002 7519 113.069595 18 113.163277 20 113.356354 18 113.781181 18 114.028267 301.875092 115.004585 43 115.036972 35 115.089203 28 117.072464 20 117.325089 25 117.346901 20 119.035034 9074.442383 119.049706 2681.922363 119.100929 18 119.576881 18 119.9589 20 120.036858 301.988678 120.05439 582.638489 120.205185 18 120.552849 24 121.029037 8117.445801 121.065788 230.047211 121.105766 22 121.768791 18 121.786957 17 122.033287 1209 122.063293 17 122.104362 28 122.377373 18 123.014214 17 123.041466 327.400421 123.909973 21 124.062775 23 124.55632 21 125.021881 107 125.940254 17 126.032272 80 126.999107 18 127.039833 41 127.82972 30 128.00499 18 128.038544 27 129.033829 101 130.028305 24 130.083359 18 130.215073 17 130.724716 21 131.034973 930.534302 131.588516 17 132.031876 62 132.721329 17 133.008392 18 133.043823 53 133.066086 26 134.069427 18 135.047241 168 135.081238 18 136.045471 18 136.988327 96 137.02243 41 137.060684 3514.007568 137.269775 17 137.497818 21 138.064819 270.457886 138.40831 25 139.039703 674 139.062378 22.036386 139.077347 19 139.345093 18 139.684158 19 140.046051 126 140.992401 18 141.058472 282 142.054398 17 143.034042 1207.177734 143.558365 18 143.984451 18 144.039536 18 144.056244 20 146.034363 45 146.070572 18 146.905518 18 147.044601 5973.612793 147.751068 20 147.933533 23 148.048279 743 148.531418 20 148.670929 21 149.044907 1219.950928 149.572769 21 149.984528 25 150.032639 195.237869 150.051498 77.762138 151.038513 22 151.053192 18 151.082306 18 152.09288 22 153.009827 18 153.056183 106 153.98027 17 158.307098 23 159.031448 81.936676 159.729462 31 160.061096 18 161.044495 1439.074829 162.050354 170 162.271149 28 162.888214 18 163.042572 166.522018 163.077271 71 164.051575 45 164.426163 17 165.008865 17 165.023712 27 165.055389 17303.810547 165.124207 20 165.178741 20 165.210632 18 165.339294 17 165.378021 18 165.441818 20 165.47522 17 165.864868 17 166.001266 21 166.058304 1912.457275 166.486847 23 167.059402 81 167.140244 24 170.018433 22 170.122101 17 170.555115 27 173.026093 60 173.632233 22 174.033966 38 175.025238 23 175.038025 17.242777 175.327652 36 176.044281 21 176.07135 20 177.055908 59 178.044678 18 179.055267 2259.4104 180.021118 22 180.059052 212 180.083923 18 181.05249 164 181.097885 18 182.275787 19 183.066162 1407.94873 184.069153 159 184.115677 22 185.729797 20 187.116364 29 189.055786 337 190.061508 49 191.03447 496 192.034744 72 193.044922 42 195.023544 17 195.071396 22 195.126465 27 195.43808 18 200.724823 18 201.06221 26 205.101868 30 206.363937 17 207.066193 1727 207.358505 20 207.75209 29 208.066116 237 208.475357 20 209.043579 242 209.914047 17 210.056107 64 210.0755 24 211.965408 23 212.062637 22 212.666718 24 215.515625 17 219.056763 20 220.106812 22 221.066986 122 223.003815 22 224.146133 35 224.907074 18 224.971268 24 225.027222 18 225.076996 3219 226.07991 456 226.370636 20 227.077347 71.212708 229.655457 18 231.049149 20 232.789993 20 233.044601 537 234.047043 148 235.051651 28 237.043289 20 238.159561 19 239.105606 31 239.987518 36 241.119385 19 242.11026 18 248.434723 29 248.803604 18 249.038651 33 249.072769 18 250.112259 38 251.055542 13906.274414 251.103455 19 251.234436 48 251.360367 26 251.388077 17 252.05986 2106 252.195496 20 253.059967 274 253.581436 30 253.777267 23 254.066162 18 255.487595 18 262.196228 22 262.36319 18 268.124084 17 269.066742 2791 270.026062 20 270.069427 304.752563 271.072205 65 272.107178 24 276.217407 22 278.286194 20 284.126312 24 285.10614 45 285.80603 25 291.091919 18 293.074799 78 294.064911 19 299.600769 21 302.854553 18 305.105896 24 305.205505 18 309.099182 18 310.778076 23 311.165833 19 312.103302 18 315.163727 20 317.144409 17 321.197784 18 323.09668 25 327.108704 293 328.10434 23 334.629913 60 334.951324 22 337.256226 28 339.662201 20 342.324921 18 344.999664 18 345.122223 18 345.887238 19 346.128937 24 350.965607 20 352.196594 20 353.088043 150 363.942719 19 367.407349 18 368.147003 25 369.121674 40 371.096497 653 372.103394 58 373.102448 53 373.160461 18 384.143341 17 387.13681 82 389.109497 255 390.118561 36 391.119751 56 392.941589 20 394.499634 21 405.126587 20 407.492279 17 413.117889 66 414.119202 35 415.102448 20 415.722137 18 421.955475 20 424.01297 22 424.773041 40 424.835449 21 425.61499 43 428.693481 18 430.101349 22 430.417603 29 431.118896 29865.140625 431.213531 361 431.307129 18 431.358185 18 431.412903 17 431.530975 30 431.690796 19 431.847961 18 432.123077 7190.496582 432.203705 53 432.246948 17 432.411591 18 432.667511 18 432.938782 20 433.126068 1640 433.244751 18 433.622131 18 434.126953 256 435.929016 17 436.057434 18 438.756287 17 441.001373 46 446.756104 23 447.406464 20 460.809296 22 468.203461 20 480.529724 19 497.982422 20 508.070618 19 523.877197 34 546.912781 30 566.515503 26 572.35022 22 585.165466 22 617.22406 23 712.685486 21 787.471802 29 805.230164 19 832.365723 18 863.249634 60 864.239563 40 931.22168 18 966.346436 38 972.085571 18 END IONS BEGIN IONS FEATURE_ID=129 FEATURELIST_FEATURE_ID=Aligned feature list peak:129 MSLEVEL=2 RTINSECONDS=192.74 PEPMASS=494.11499 FEATURE_MS1_HEIGHT=7.974E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8:853"] SCANS=129 Num peaks=164 54.230686 18 55.186668 23 59.54417 19 61.988335 1437 62.469913 21 62.811199 18 62.84161 20 65.629097 20 71.013344 58 72.012718 17 73.813896 27 82.51329 18 83.014397 18 87.074707 20 88.325951 36 89.024399 68 93.547897 26 96.960648 20 101.023376 55 102.062248 21 105.016678 18 106.738029 18 107.510201 26 107.529907 30 113.023933 45 116.931099 18 119.034294 41 119.052177 23 119.187775 21 121.026848 17 124.952736 18 128.458923 18 128.592361 18 128.815613 23 128.897842 18 129.066788 18 129.260773 17 130.713791 17 138.283768 18 141.059357 20 165.0513 56.651451 166.059036 18 166.306351 18 166.941467 21 168.046188 20 168.917297 20 174.036316 20 176.048386 18 178.104721 18 180.478394 22 181.968979 20 182.451401 17 182.94812 18 184.926392 29 185.114975 23 187.026535 19 187.883316 21 188.11293 22 193.772598 21 200.317978 20 205.163437 18 207.007248 58 207.066513 26 215.752579 18 223.29361 18 225.074966 20 228.052612 18 229.054779 18 229.994263 21 232.216156 17 239.542892 19 247.074677 18 250.243134 18 251.055145 125 253.212921 18 256.777588 18 258.878479 24 265.149384 35 265.720306 17 267.110931 20 269.070679 21 270.989288 37 271.269135 22 300.611053 18 311.71405 27 313.089203 20 315.973724 23 325.093719 21 326.192719 18 328.146545 29 330.235229 26 330.899048 18 338.46283 24 351.18277 19 351.452301 29 362.870148 27 372.784393 18 379.316071 28 392.234436 22 398.226959 22 400.576355 51 407.009796 26 412.482391 20 431.120758 1606 432.119019 275 433.12674 39 434.126801 66 459.113831 18 465.139435 22 468.683563 22 479.145538 20 486.302002 18 493.041138 76 494.114838 125 494.272308 52 495.0401 43 495.114471 40 525.494629 18 531.051941 20 532.04187 20 540.124634 21 546.132751 17 568.283936 21 598.172913 18 634.235413 22 647.177551 21 656.187439 18 688.500549 18 706.849609 20 716.538879 20 781.283997 18 807.258301 18 807.494141 30 835.510193 38 836.545593 18 848.40625 29 863.25293 198 864.259338 152 865.261292 56 865.703979 18 867.228699 27 871.224792 39 885.238953 17 886.255432 19 887.237793 18 901.218018 18 917.143677 38 917.298584 18 918.167786 17 919.465942 20 925.1745 22 934.355957 23 974.346924 18 1041.33374 22 1048.450439 17 1054.183594 21 1108.391602 22 1120.952759 37 1122.589966 18 1152.651611 18 1162.082764 25 1172.204468 24 1176.814697 18 1183.913574 20 END IONS BEGIN IONS FEATURE_ID=130 FEATURELIST_FEATURE_ID=Aligned feature list peak:130 MSLEVEL=2 RTINSECONDS=192.74 PEPMASS=863.24663 CHARGE=-1 FEATURE_MS1_HEIGHT=9.997E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:930"] SCANS=130 Num peaks=347 51.749157 19 55.014309 18 56.996284 21 58.713497 28 59.01366 1553 59.891026 21 60.018803 76 61.686935 20 66.15303 17 68.997551 17 71.012573 1031 72.019188 44 73.012344 18 73.02861 39 76.134422 20 83.015068 95 85.028633 29 86.513855 24 87.007713 93 88.381142 24 89.023933 3355 89.358643 18 90.02681 183 91.058357 25 91.168007 18 92.479492 24 93.033714 157 94.036354 19 95.016632 20 95.608261 22 96.807388 63 97.187088 18 100.379684 24 101.023651 2099 101.953163 19 102.028404 60 105.023071 48 106.021683 18 107.035034 58 109.027451 19 112.926926 28 113.023338 1341 114.027374 64 114.724319 26 115.025703 39 115.039291 20 117.065384 22 118.969429 22 119.034615 2845.431152 119.050911 487.025085 119.725105 24 120.038017 89 120.060455 35 121.029716 614 121.061188 49 121.075623 42.383778 121.391159 24 122.030586 125.624649 123.038261 21 125.022987 101 126.028931 20 128.03067 22 128.145996 20 129.221252 22 131.03334 184 137.058319 353 138.064835 100 139.043808 187 139.161499 17 140.767517 20 141.056015 36 143.035812 511 144.041351 37 147.044662 908 147.078613 17 148.049408 62 149.0466 499.250458 149.341415 22 150.044006 32 159.028549 29 161.044891 1067.653931 161.460434 17 162.048538 82 163.031967 18 163.077057 22 164.043961 24 165.05542 5783 165.205704 18 165.355316 22 166.058487 335 167.060852 57 167.258698 25 169.044724 17 173.498825 18 174.005005 19 174.068588 18 176.430725 20 179.054413 2161.314209 179.17511 22 180.06308 123.562164 181.05246 168 181.527206 26 183.065628 521 183.165558 25 184.067291 94 189.057419 38 191.034378 257 192.0401 18 193.74762 17 194.16922 17 200.056229 27 204.271896 25 205.33844 22 207.066895 483 208.080292 46.700989 209.043365 120 209.065109 22 210.054565 22 215.076462 23 219.069489 73 220.065002 26 220.493408 18 222.068954 20 223.090134 17 225.075912 2106 226.078186 438.156738 227.056366 28 227.084244 37 228.21051 34 233.046692 199 235.202408 17 240.829224 25 247.379791 25 249.077698 42 251.055557 8287.443359 251.69252 30 252.059601 1213 253.059128 171 253.892319 18 254.056564 23 256.237701 20 257.188965 18 257.65155 27 259.639313 20 260.611481 18 262.296417 18 269.066772 2987 270.067902 261 270.521698 17 270.663422 22 271.072296 22 272.079773 18 277.210144 24 278.192627 22 278.535736 20 281.257019 17 281.880249 18 282.430542 18 283.132843 23 285.028473 22 285.167114 20 293.067566 120 294.059143 21 308.609558 20 309.096039 41 321.83139 19 325.181915 20 327.109436 133 328.119873 90 329.104248 21 330.755859 18 335.657166 17 340.367706 18 342.524231 26 345.112 72.565529 345.134552 33 352.592804 18 353.093445 116 354.095154 61 358.886383 18 361.573822 18 365.608124 18 369.113892 22 371.097198 306 372.097046 92 373.105377 36 374.436829 18 387.131714 43 388.124634 18 389.107056 236 389.417358 18 390.115875 146 391.141205 24 396.498169 20 401.119629 18 401.595917 24 409.527191 28 411.524475 27 413.106415 188 414.096161 18 420.088531 17 424.766174 18 424.795654 18 424.929688 21 424.983917 24 425.703156 35 425.762787 18 426.473114 18 426.887634 18 427.058563 28 427.308624 23 428.280121 22 428.975311 46 429.58078 23 430.207336 17 430.418976 20 430.473785 18 430.690521 19 430.782379 18 430.892303 22 430.980225 39.912075 431.066132 41.894096 431.118134 126719 431.213226 5956 431.348511 121 431.422638 41 431.524963 38 431.742065 17 431.768616 20 431.800964 23 432.05722 26 432.122131 28443.166016 432.226074 170.707047 432.368134 52.659222 432.4375 60 432.504608 38 432.569244 17 432.856201 96 432.977142 18 433.014679 19 433.124146 6220.702148 433.25 58.417927 433.356445 18 433.400604 18 433.429749 18 433.542267 22 433.592712 18 433.653259 17 433.795532 36 433.832947 18 433.919098 18 434.018036 18 434.127869 613.323425 434.316895 48 434.627106 18 434.697388 20 434.968689 18 435.186829 17 435.341125 17 435.68573 21 436.028198 22 436.408966 18 437.163177 19 437.234772 18 437.319031 22 437.854706 21 438.923523 18 439.883148 18 440.269226 17 440.379883 32 441.028198 18 441.965942 18 442.165955 18 442.213654 26 443.214172 21 443.262054 18 445.008667 25 447.13208 18 447.273468 18 453.048859 18 453.093964 18 461.421906 20 467.073456 20 485.027771 20 495.565887 18 498.984375 23 501.467682 20 523.268555 18 530.228638 25 531.065979 22 559.003967 20 560.498962 17 562.471802 18 599.183533 18 602.548584 20 642.17981 20 671.577271 18 693.201294 24 697.340881 21 702.182373 18 708.815491 32 741.808044 22 745.425354 18 748.506592 17 760.094604 18 773.512878 21 777.106323 22 804.373718 18 807.493408 36 821.467529 21 829.364319 18 833.26416 17 863.248169 1269 863.491882 19 864.247681 578 864.429016 18 864.520752 22 864.914368 20 865.258667 36 865.525635 20 866.259583 19 867.26178 47 871.210754 22 871.301086 56 872.29248 20 873.237549 18 873.316345 17 876.201599 56 880.921448 18 885.226318 20 886.205872 18 901.206482 21 916.161316 19 917.175781 55 918.155396 25 939.379639 21 943.407593 17 966.35022 92 967.362915 18 968.336243 18 973.285889 18 998.875671 20 1008.331116 28 1031.404663 33 1097.806396 21 1145.447876 21 1183.314087 18 END IONS BEGIN IONS FEATURE_ID=131 FEATURELIST_FEATURE_ID=Aligned feature list peak:131 MSLEVEL=2 RTINSECONDS=196.38 PEPMASS=201.08768 CHARGE=-1 FEATURE_MS1_HEIGHT=2.311E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8:835"] SCANS=131 Num peaks=182 51.83215 48 57.41843 18 58.033306 44 63.284554 18 67.029808 22 67.057724 17 71.048485 20 72.044594 3283.125977 72.424583 19 72.519379 18 72.629631 18 73.034264 32 73.048332 162 74.024033 65 78.907181 18 78.975052 19 79.014999 21 82.02919 21 82.913925 34 83.061104 162 83.314651 20 84.045815 188 85.048347 18 85.385719 21 86.060127 41 90.304962 21 93.204178 19 95.016457 22 97.035248 21 97.05191 18 98.061874 148 99.008865 21 99.056274 40 99.918434 17 101.072258 380 102.070816 70 109.039719 557 109.631126 20 110.167801 18 111.009171 41 111.044022 19 111.330231 30 112.041161 40 112.079041 87 112.825119 22 113.94355 18 114.028023 19 114.095947 37 114.340118 28 116.075783 20 116.930893 18 117.045731 18 119.058708 17 120.007683 18 121.076195 68 121.365074 18 125.024734 20 126.670334 18 126.925438 19 127.050995 3975.037598 128.035614 751.9104 128.054459 269.0896 128.947983 21 129.035904 17 129.053421 87 130.046814 133 130.80661 18 132.382401 18 136.671539 18 137.071106 40 137.095337 19 139.026566 19 139.054672 18 139.086624 4387.442383 139.162521 22 139.501053 22 139.844559 18 140.091461 389.292786 140.279709 17 140.813904 21 141.016647 41 141.097275 21 143.660492 24 143.975449 28 145.061829 2603.370361 145.865234 20 146.062698 97 146.968521 20 147.06012 25 148.78006 35 151.339905 18 155.951645 37 156.101196 20 157.050232 22 157.097687 431 157.971573 27 158.101273 25 159.950775 26 161.047882 19 171.017136 20 172.010559 25 173.096542 21 183.076675 1152 183.106567 20 184.064575 160.226013 184.082184 53.773991 185.040436 89 185.087219 55 187.138824 21 200.847153 18 201.08638 2142 201.540802 22 202.090637 329 203.091843 76 203.168625 17 204.96907 17 208.735947 22 208.96785 20 216.925568 24 220.522247 18 226.676361 18 228.96022 18 236.560226 20 239.577957 21 261.053406 18 271.930664 20 273.08374 18 279.051208 23 284.07254 24 287.268982 19 293.179871 18 296.662659 25 302.001923 20 309.002411 18 312.159149 17 318.288879 45 321.924835 19 325.188538 38 326.183502 23 328.785645 18 335.002655 19 339.204773 92 341.227905 18 354.209351 30 379.189117 18 381.0224 25 388.177704 20 421.113861 29 432.011292 30 510.234894 17 524.123962 27 527.048767 18 563.215576 30 589.986267 22 634.034241 26 636.022339 20 676.199463 18 716.522217 18 744.060486 18 790.154114 17 791.315613 25 807.506409 17 835.534851 44 838.510315 35 847.977966 26.999998 1005.065979 28 1007.469482 18 1018.260925 17 1044.576538 20 1044.742188 17 1054.716919 18 1060.651489 24 1063.737915 17 1066.900391 18 1123.362427 17 1137.41687 18 1151.43811 18 1155.50415 19 1164.021118 18 1172.536011 20 1188.415894 19 1193.582031 29 END IONS BEGIN IONS FEATURE_ID=132 FEATURELIST_FEATURE_ID=Aligned feature list peak:132 MSLEVEL=2 RTINSECONDS=196.61 PEPMASS=181.07116 FEATURE_MS1_HEIGHT=5.642E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8:864"] SCANS=132 Num peaks=90 55.017727 42 59.012264 115 62.021889 21 64.371193 33 64.626945 17 69.035469 23 71.013168 387 71.048561 18 71.253731 28 72.399811 18 72.643402 18 73.030624 56 85.027199 79 88.034752 30 88.23613 18 89.023277 166 89.685982 22 92.0532 20 97.026878 39 99.925728 20 101.022896 237 102.023186 67 102.628967 23 108.04393 238 109.042755 37 110.754974 17 110.975334 18 112.008659 20 112.0961 17 113.028168 38 115.998672 36 118.028587 24 119.035164 61 119.051697 22 120.04995 23 123.571762 18 127.046387 18 129.030396 18 132.2108 19 136.980759 17 137.120255 18 138.015167 18 138.032532 18 138.056305 338 138.964172 20 139.057144 39 139.946884 32 145.057098 19 147.893616 18 149.273651 27 153.028519 20 156.89447 24 159.840363 17 163.056107 43 167.99321 17 170.082504 18 171.029312 23 180.840225 22 180.974442 21 181.070404 436 181.989182 17 182.008636 23 182.041855 36 182.084152 83 182.904694 31 183.977997 26 184.99115 20 187.439194 17 203.968292 17 227.816437 22 242.629517 24 243.888046 18 313.053589 18 324.131317 18 327.698212 18 352.683167 18 363.080811 18 366.704254 22 375.479004 18 391.797882 19 451.336121 21 556.614136 18 595.321045 19 613.267273 17 651.343933 18 756.466431 18 815.408142 20 875.112427 18 1058.616943 17 1127.964722 19 END IONS BEGIN IONS FEATURE_ID=133 FEATURELIST_FEATURE_ID=Aligned feature list peak:133 MSLEVEL=2 RTINSECONDS=197.62 PEPMASS=379.16045 CHARGE=-1 FEATURE_MS1_HEIGHT=1.151E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8:963"] SCANS=133 Num peaks=164 52.339344 20 55.347576 18 59.012978 184 60.016171 18 61.98542 36 62.532398 23 63.419724 22 64.411201 25 66.027824 20 67.232246 24 70.822624 19 71.011948 176 75.007851 20 75.621933 20 80.028076 20 80.99575 18 83.014694 17 85.034813 35 87.006828 20 89.023506 292 90.027893 19 90.489136 17 91.027313 18 92.227295 22 95.128159 17 96.419701 19 97.065529 20 98.907845 17 99.040985 28 101.022453 226 109.995369 18 111.020256 21 112.014107 39 112.606926 22 113.025528 153 115.02462 35 116.931107 20 117.523651 21 119.03405 94 120.034439 52 123.009529 17 128.035995 18 130.033722 17 131.033493 54 133.014099 18 140.323685 18 142.963333 20 143.033371 46 143.053848 17 148.072113 20 149.044418 145 151.146545 18 153.019653 31.999998 155.060349 24 157.035202 21 161.0466 38 161.908371 26 162.908722 18 165.812759 20 167.069443 20 168.036316 20 172.47673 18 175.549988 17 176.027008 19 177.030289 18 179.059113 97 180.971146 25 184.063126 18 187.066391 21 189.937302 18 191.053696 22 193.024628 18 193.096786 18 195.047958 27 199.036438 18 201.088608 18 202.119781 18 205.045441 19 206.799011 21 210.009537 27 213.011215 18 213.858276 21 215.159393 19 215.965805 22 218.937927 22 221.795639 27 224.063004 21 224.958618 18 226.157684 20 230.9151 18 231.511017 18 232.077255 20 246.084564 17 247.122391 18 248.094009 21 253.075378 20 254.014313 18 271.023193 25 272.947845 18 274.791107 18 276.08783 37 279.109222 18 280.094635 24 281.035919 18 289.952423 18 291.109741 28 301.122498 18 301.623718 22 311.157349 18 317.052216 168 318.053925 22 318.376007 18 321.506012 18 325.191223 18 332.978882 23 334.0065 18 334.081604 18 376.640411 18 378.090118 18 379.154419 19 379.998108 19 380.140289 30 381.072357 21 381.125732 22 381.229248 64 383.124664 18 389.163818 20 403.760742 31 423.216675 17 425.055573 28 432.11676 18 442.154755 18 454.348083 18 477.080353 25 480.13855 18 484.390839 21 494.459076 24 512.703308 21 525.71051 18 542.945679 18 597.21521 18 625.71283 18 627.428284 18 645.322693 19 649.701477 18 654.33374 18 670.960388 21 692.315796 18 701.188171 20 708.130493 18 708.379333 18 719.316467 18 732.137573 20 924.139404 18 961.137756 18 961.23114 17 968.232483 18 973.293823 18 1002.388733 28 1010.479309 21 1123.194336 20 1173.229492 18 1184.528931 27 1190.913452 17 END IONS BEGIN IONS FEATURE_ID=134 FEATURELIST_FEATURE_ID=Aligned feature list peak:134 MSLEVEL=2 RTINSECONDS=197.64 PEPMASS=425.16594 CHARGE=-1 FEATURE_MS1_HEIGHT=2.187E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:975"] SCANS=134 Num peaks=257 51.102428 17 52.156002 18 55.018806 55 56.017921 20 56.868561 18 57.034615 20 59.012714 863 60.015881 18 66.219421 32 71.013618 1408.995605 72.0187 57 72.238258 18 73.027634 48 73.303032 19 73.600784 18 74.007317 30 74.033089 20 75.008194 24 79.541458 18 79.782211 19 80.966995 22 81.031723 17 83.011414 39 84.055229 18 85.029388 64 85.16098 21 87.009315 111 87.760757 17 89.024017 4048 89.178902 18 90.027565 38 90.171463 17 92.697899 18 95.05162 56 96.957108 23 97.018646 18 97.030693 94.316803 97.050369 24 97.151237 17 97.203362 17 99.026337 18 99.319458 22 100.932358 18 101.023514 2088 101.072372 27 101.531891 18 101.546227 41 101.662064 19 101.775269 20 102.028557 110 102.055084 27 103.032402 25 103.365829 23 108.384666 18 113.023277 891 114.026169 18 115.038033 58 117.493431 29 119.034363 1668 119.347778 17 120.034668 102 124.345314 17 125.023819 192.63588 126.000313 18 128.030701 21 129.023132 20 129.036545 21 130.08847 38 130.896774 22 131.035355 1263 132.036331 56 132.08812 20 133.007629 18 133.03624 20 133.370041 18 136.721634 25.999998 136.772415 18 139.004181 24 139.793533 17 141.867447 18 143.034775 464 144.034286 43 144.407364 18 146.036453 20 147.044403 17 148.630341 20 149.045181 3892 149.136948 20 149.845108 20 150.046219 243 151.046524 68 152.990784 19 153.482758 20 154.006653 19 154.039734 20 154.152313 25 159.067047 22 159.632507 18 161.022217 23 161.044968 810 161.082947 20 161.348434 28 162.050461 43 165.051895 18 166.060226 23 168.803314 19 169.852814 18 175.023926 164 177.989716 18 179.055161 2379 179.099442 17 179.744125 38 180.06012 137 180.376556 18 181.061722 81 184.965271 28 185.729797 20 187.042084 20 191.055466 971.279236 191.141617 20 192.053467 18 193.018616 37 194.059952 18 197.05925 24 197.126358 18 199.01149 17 201.078094 17 204.060898 18 205.048004 22 207.106812 18 210.971191 18 215.050659 43 216.749054 23 219.028763 19 219.649307 24 221.064484 122 222.065979 23 222.801041 20 224.465973 32 227.194717 19 228.982605 18 233.071793 60 239.080246 20 239.953171 18 240.269135 18 244.97403 20 245.090347 18 247.118637 2691.884033 248.123383 300.578461 248.509155 18 249.132523 53 251.080246 105 253.198578 35 254.082825 18 257.040344 20 258.020599 20 259.053711 17 259.163757 22 261.09024 18 264.072723 20 266.081635 20 275.076233 39 276.083588 27 280.092957 22 281.089539 58 282.094757 19 282.906677 28 285.554474 45 290.053589 18 293.08783 76 295.022552 57 298.065277 58.999996 303.18692 18 307.06308 17 311.104218 112 312.099213 22 314.081024 23 318.060364 19 320.130585 19 325.931458 18 326.071716 22 327.127319 17 335.109192 17 337.090607 19 339.197968 18 342.515015 24 353.131561 34 367.083496 18 373.713623 22 378.089661 23 379.078522 20 379.112976 36 379.159882 7807 379.375824 28 379.549164 19 379.634247 18 380.165833 1620 381.130676 18 381.166351 271 382.169403 38 382.306488 18 382.912689 24 384.264465 18 387.131897 18 388.145447 18 390.100281 23 391.13205 18 394.147308 30 397.182587 17 406.952393 17 409.060822 20 411.101379 18 419.599396 30 419.861176 20 424.194458 20 425.075073 49 425.163177 696 425.260803 20 426.110626 20 426.171051 205 426.273041 26 427.159363 143 427.276886 29 428.088318 26 429.871216 34 431.10968 20 477.13739 18 501.139526 18 529.187744 27 547.305725 20 557.749329 18 580.196899 30.999998 588.267944 22 611.207581 20 631.512024 19 656.208984 17 666.293213 20 669.664246 18 752.196228 20 753.118958 38 765.346985 27 771.302551 22 773.040466 20 825.215088 19 827.102417 20 871.168884 18 871.289368 17 876.181274 21 881.231018 17 897.037903 18 971.072571 17 1068.19458 26 1072.169678 18 1074.276733 21 1120.332764 22 1139.421509 18 1142.283447 18 END IONS BEGIN IONS FEATURE_ID=135 FEATURELIST_FEATURE_ID=Aligned feature list peak:135 MSLEVEL=2 RTINSECONDS=197.84 PEPMASS=415.13719 CHARGE=-1 FEATURE_MS1_HEIGHT=5.647E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:987"] SCANS=135 Num peaks=87 59.011898 58 71.015991 65 73.029114 23 82.038002 22 88.991913 34 89.024315 76 98.021729 18 99.006905 19 101.021378 20 105.034508 18 111.042343 18 112.982941 20 113.020844 38 116.931488 45 119.035309 41 120.998466 18 126.990364 18 128.031158 158 129.038437 20 131.039719 20 135.044342 125 136.044022 20 137.032074 18 137.065765 82 138.042297 29 139.036713 41 147.045181 164 149.042755 42 154.01236 20 160.895157 18 161.062332 21 165.057816 331 169.022858 18 169.097931 26 179.052277 18 180.030151 18 180.976517 54 181.036255 23 183.06424 96 183.108734 18 185.911667 20 191.029907 39 196.015778 22 209.047867 26 210.125717 18 211.188049 25 217.929611 41 224.996826 18 227.981354 23 236.143082 29.000002 239.003693 50 241.093979 18 243.020462 18 243.167755 19 247.116989 18 250.150803 26 251.06842 18 257.685669 21 261.037201 22 263.975433 18 266.002899 22 271.085968 20 290.028259 42 292.106232 19 299.178101 18 302.193512 18 329.068359 20 355.16095 96 368.11203 26 371.09613 201 372.101562 89 381.147888 29 389.110718 68 390.109497 20 396.117065 20 397.950623 22 414.082428 22 415.138458 158.886276 416.136475 56 416.172516 24 417.131927 36 418.131836 18 418.221741 27 419.026459 21 441.529388 18 444.965729 24 473.585541 28 END IONS BEGIN IONS FEATURE_ID=136 FEATURELIST_FEATURE_ID=Aligned feature list peak:136 MSLEVEL=2 RTINSECONDS=197.90 PEPMASS=442.15577 FEATURE_MS1_HEIGHT=5.456E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:986"] SCANS=136 Num peaks=90 61.987896 1366.055298 63.990513 22 67.780663 22 74.600235 18 80.964485 18 81.565201 81 96.957466 51.244701 96.970108 16.755297 112.997513 18 113.038628 21 116.519806 18 117.930679 20 118.99279 22 128.036713 169 135.973343 23 136.990509 41 137.022491 17 139.044846 49 146.237167 18 149.032715 25 151.738281 26 153.088547 23 155.08461 20 161.906662 18 164.044037 26 164.07428 30 167.043747 53 167.947449 22 176.980713 21 182.47612 18 186.895157 22 186.981461 20 190.053818 18 192.997009 18 199.067215 19 201.125397 24 215.995453 18 225.118668 22 232.027786 17 234.915268 18 245.079346 22 246.022934 38 265.151794 17 267.015778 20 269.159424 20 274.084412 29 275.109344 17 279.06311 59 282.079712 18 289.876892 26 291.911255 18 296.053101 22 297.524445 18 301.050537 18 303.121552 27 306.007904 19 306.51123 18 307.890228 17 310.995758 92 312.999878 18 316.166107 19 316.868591 17 317.046875 18 321.110474 27 325.089142 20.000002 325.143829 18 325.16922 17 325.283997 26 326.074829 20 327.117279 22 339.09079 21 353.165222 20 371.087067 25 371.186218 17 381.897369 24 396.20105 42 397.173096 20 397.310822 21 399.254944 46 407.893951 18 427.018402 18 441.002563 18 441.25473 20 442.141022 19 442.249451 19 443.251282 17 444.203918 24 445.204041 22 715.344849 26 762.518738 22 END IONS BEGIN IONS FEATURE_ID=137 FEATURELIST_FEATURE_ID=Aligned feature list peak:137 MSLEVEL=2 RTINSECONDS=198.20 PEPMASS=508.20299 CHARGE=-1 FEATURE_MS1_HEIGHT=2.862E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:980"] SCANS=137 Num peaks=241 50.648102 17 52.357037 47 52.480827 78 59.017719 27 61.710476 18 62.412693 18 64.572876 22 66.19516 18 66.627716 18 66.721092 17 69.103127 17 69.261124 18 69.460541 17 71.020378 18 71.916496 19 72.109024 18 78.951851 22 82.026512 20 90.371391 18 91.001289 23 96.056107 26 96.969276 20 100.793678 19 101.02346 17 119.020882 45 119.042336 18 121.030716 30 122.899933 19 125.18367 18 126.150696 18 126.206863 18 126.930679 18 127.626823 18 127.849922 22 127.943031 35 128.034592 42648 128.087372 250 128.272537 25 128.375595 20 128.441452 17 128.591049 18 128.606918 18 128.776505 24 128.810043 32 128.879364 20 128.927292 18 128.962646 91 129.037537 2825.052734 129.172501 17 129.244308 42 129.364746 22 129.605591 23 129.883667 18 129.98111 18 130.038727 493.813293 130.121231 23 130.289993 18 130.45224 17 130.544464 25 131.093613 22 133.015121 23 133.836548 18 136.988068 101 137.061127 22 139.039597 18 139.078278 22 140.115387 22 142.295593 20 143.033585 23 152.011292 22 157.050156 18 160.00618 25 161.0401 35 164.06604 26 165.058029 46 171.078369 36 177.05127 20 179.03627 22 191.178909 25 191.610611 21 193.081696 21 199.073608 22 201.092438 38 201.679596 20 202.942688 25 204.064606 19 207.010971 21 208.962845 18 209.957321 20 212.967667 24 213.006622 20 213.741318 21 221.220108 18 230.989716 19 233.870895 18 235.913437 22 240.051193 18 241.012222 20 245.127777 25 247.113922 17 249.07457 36 254.066177 18 254.206284 20 259.093262 28 260.395782 22 265.143768 18 270.533844 25 273.10434 23 279.06308 18 281.123047 20 283.04895 17 283.916931 18 289.080505 20 291.153839 18 297.112762 18 297.150452 48 298.140717 40 298.964996 20 300.019196 20 300.959503 20 303.847534 20 306.052155 17 307.125824 29 311.15744 18 315.110138 22 317.054565 20 319.028015 17 319.086182 18 325.193695 38 327.188477 20 332.176117 19 334.615173 18 339.189819 18 339.895172 37 362.76239 20 369.096802 18 372.147888 18 374.811584 21 376.010651 17 376.032196 22 378.022919 29 379.033844 17 379.072754 22 380.028442 17 380.280487 18 380.975311 21 381.070465 35 385.117035 18 388.239014 17 389.582489 18 397.074066 22 399.093475 19 406.825745 22 411.225769 19 413.115051 18 427.155273 21 428.043274 18 431.116699 84 432.123138 39 434.142792 18 434.173737 27 462.168304 20 463.228424 53 465.245758 29 469.137665 33 471.031494 23 477.177704 43 479.069855 19 482.253571 18 484.604584 17 489.06308 17 492.135223 18 507.170074 20 507.236176 32 507.33551 18 508.205627 567 508.914825 18 509.204315 153 510.160583 41 510.213837 56 511.034607 19 511.133972 23 511.299896 18 517.820496 21 521.001587 18 527.890686 18 535.549683 18 538.917725 21 548.941284 28 576.129639 18 590.212463 17 605.242859 23 626.290894 18 648.186157 18 650.193359 18 652.241821 22 661.231689 18 662.179321 20 692.098816 19 697.26947 18 705.16272 18 705.329895 18 714.115845 18 741.10437 18 767.299927 40 779.291992 17 793.229614 21 821.219971 30 822.289185 18 833.441284 18 847.43396 18 880.161987 18 891.571716 18 897.107971 23 901.17804 17 905.2724 27 908.261414 17 927.206299 22 933.239807 18 952.310974 22 956.263733 17 978.262695 27 997.280212 21 1015.167053 19 1025.187622 29.999998 1028.327026 25 1057.106567 17 1060.177612 17 1067.760864 18 1075.085449 26 1111.238159 17 1122.120728 25 1125.269165 23 1138.276611 29 1141.153442 19 1148.488892 17 1160.380493 23 1163.238525 20 1176.202148 21 1193.737915 18 1197.257202 18 END IONS BEGIN IONS FEATURE_ID=138 FEATURELIST_FEATURE_ID=Aligned feature list peak:138 MSLEVEL=2 RTINSECONDS=198.53 PEPMASS=233.01181 FEATURE_MS1_HEIGHT=9.158E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8:969"] SCANS=138 Num peaks=104 70.370483 18 71.014091 21 72.992409 21 77.034668 22 79.957237 171 80.001701 17 80.418159 20 80.964287 122 81.946976 24 88.970024 20 89.038162 17 95.014915 50 95.053558 42 96.960823 64 97.944847 37 98.953224 35 99.929039 18 99.951942 18 101.026176 32 101.072487 17 102.075668 30 105.000069 50 112.007454 18 113.026184 19 113.095306 22 113.941978 18 115.003273 28 115.018387 71 116.013741 20 117.051987 68.981308 118.490891 26 118.919029 20 122.033607 61 123.045082 4539.417969 123.451042 17 123.924416 21 124.048889 322 124.748947 24 125.0513 37 126.944832 54 127.208862 18 128.033585 59 129.934586 64 137.017487 21 141.937469 68 142.947861 87.581734 143.019806 19 143.929245 37 143.952438 41 144.901871 18 144.955521 66 145.893219 38 147.410538 22 153.055603 5667 154.058716 596 154.308701 18 155.063004 61 155.301544 17 155.995193 38 157.819138 18 157.930969 43 158.065048 33 158.911514 35 158.937759 67 159.892273 18 160.905212 21 160.931168 18 161.008392 20 161.68338 21 161.887009 18 161.934158 25 163.139908 18 164.89119 19 165.587418 17 174.9021 21 179.235092 21 186.073761 22 186.929382 20 187.937744 39 189.016724 23 189.931122 20 190.911331 19 191.040619 48 214.506454 18 216.858704 21 217.035248 47 229.979111 21 232.03212 27 232.740463 17 233.011658 1522.633789 233.149673 47 233.853088 21 234.017273 258 234.06871 17 234.586395 17 234.919464 19 235.011032 59 236.003754 18 278.088196 17 290.63147 28 404.16095 18 455.86792 20 496.973267 18 514.075562 19 END IONS BEGIN IONS FEATURE_ID=139 FEATURELIST_FEATURE_ID=Aligned feature list peak:139 MSLEVEL=2 RTINSECONDS=198.58 PEPMASS=128.03475 CHARGE=-1 FEATURE_MS1_HEIGHT=5.582E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8:866"] SCANS=139 Num peaks=110 51.988358 18 52.798538 20 53.265244 18 54.652435 17 55.750454 21 58.372353 18 60.574402 19 61.1092 20 66.359306 33 68.350029 17 80.321869 20 80.476982 27 80.964767 19 82.029579 161 83.033485 44 84.047798 27 84.867249 24 108.328682 18 109.266136 46 109.649879 21 110.022232 35 112.126251 26 115.792122 20 121.224403 21 127.860764 20 128.034714 10915.066406 128.085983 19 128.609253 29 129.038239 726.244629 129.218964 22 129.739319 18 130.036407 38 130.145599 18 130.156647 24 131.840897 18 132.847214 24 135.33432 55 136.995239 25 148.807144 18 152.862823 37 152.883118 18 179.080078 22 186.903473 18 199.998016 18 201.097717 21 203.055634 18 207.016327 30 221.166382 20 226.048431 21 226.972397 19 227.67128 24 230.878937 18 234.856689 23 249.452148 20 264.023254 20 279.05365 25 280.056061 42 289.033081 23 297.153259 18 307.269012 25 308.910065 17 311.005066 17 311.174774 25 312.183014 20 330.020355 23 332.982666 22 339.200714 25 342.9888 25 345.51297 20 354.111633 22 384.046539 17 405.017822 20 413.089447 22 421.956268 20 452.978485 23 469.613647 18 485.071198 18 493.033264 38 527.24054 20 548.379333 31 611.312439 18 639.007629 22 654.974304 19 659.156067 18 726.040283 18 768.88208 22 805.491333 50 806.509521 24 807.500977 25 820.105957 37 825.103271 17 831.502808 32 832.494507 22 846.546387 20 917.302856 19 932.305969 18 935.72522 18 951.202454 20 957.944824 22 1005.921692 18 1025.7771 20 1027.025146 21 1035.448364 35 1038.847656 19 1050.582886 23 1053.660156 25 1135.069458 17 1175.864868 19 1184.583984 17 1193.341431 18 END IONS BEGIN IONS FEATURE_ID=140 FEATURELIST_FEATURE_ID=Aligned feature list peak:140 MSLEVEL=2 RTINSECONDS=199.00 PEPMASS=227.9599 FEATURE_MS1_HEIGHT=6.879E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8:873"] SCANS=140 Num peaks=189 55.328289 19 55.618504 18 69.320007 19 70.302856 27 71.195534 21 72.695061 21 73.656212 23 75.446815 26 77.184433 19 80.83773 21 82.028908 1425 83.010963 18 83.031204 66 83.931114 59 84.039032 18 84.940216 97 93.938721 39 95.949242 20 96.012756 45 96.1856 22 96.959686 18 97.950005 63 98.024391 1367.62085 98.952759 22 99.026253 78 99.926529 285.443756 100.033211 30 100.933022 1147 101.368683 18 101.933655 158 102.932854 73 103.941994 26 103.960869 63 109.025398 20 109.495361 18 109.933029 214.393799 110.000854 33 110.020737 18 112.933884 35 113.063995 30 116.929398 48 118.325645 22 121.970024 85 122.032814 18 125.928467 23.589766 125.940231 24 126.019379 1514.407959 126.974838 33 127.02153 57 127.25901 21 128.031982 152 129.040466 20 129.806351 18 129.829422 18 129.934433 62 130.725494 25 136.952606 17 137.966888 126.282547 138.093826 20 138.965057 40 139.953384 18 139.974609 35 140.828323 18 140.933228 18 140.954681 18 141.934814 86 142.087784 17 142.937927 75 143.847397 18 147.946259 61 148.952347 24 152.08606 21 153.962387 17 154.275879 20 155.035767 18 155.813599 18 155.978134 70 157.927139 38 159.635986 76 160.985123 25 163.946548 60 164.03511 18 164.942154 18 165.173843 22 165.959824 603 166.05043 17 166.287109 20 166.960678 145.466034 167.85585 27 168.141022 32 169.937729 60 170.175491 28 170.93309 37 179.943832 27 181.953735 767 182.953964 140 182.993286 17 183.971893 189.600891 184.13829 26 185.032272 36 185.119568 18 185.938507 17 186.935165 21 187.071426 34 187.792221 21 191.034149 22 191.93663 235 192.943436 18 193.928772 21 201.090866 33 202.129761 20 203.032104 18 207.874649 18 209.949753 801.121704 209.990295 18 210.046402 37 210.949936 91 211.01709 17 211.957947 21 215.047668 20 221.973984 20 227.961105 388.059265 228.963989 102 229.111526 18 229.927841 20 229.957031 18 230.15451 17 230.959076 18 231.082001 18 231.928421 18 241.111923 18 249.996078 18 250.537445 18 256.933411 20 270.139313 17 279.062836 37 280.065277 17 284.074219 44 298.166107 18 309.987701 17 311.158417 18 319.731537 24 326.179047 21 334.268799 20 337.348907 17 340.212921 23 340.872894 23 392.165955 18 420.992706 18 423.785309 18 453.047821 22 472.908264 20 497.035736 26 501.172394 18 518.420959 17 520.828674 27 539.34436 18 553.319519 20 565.298889 34 575.227783 22 607.922058 34 638.762207 18 663.236206 19 716.523743 23 796.084839 18 828.17572 18 836.539673 19 861.237488 24 867.386597 20 870.157104 20 902.180298 24 1021.676575 18 1025.462646 18 1036.217285 39 1037.160767 17 1042.622925 18 1071.02002 27 1083.640869 19 1085.301636 17 1088.757202 27 1089.564087 20 1091.0354 19 1098.401733 18 1100.028687 18 1132.229126 18 1154.949585 17 1159.410522 20 1176.001343 18 1192.149414 25 END IONS BEGIN IONS FEATURE_ID=141 FEATURELIST_FEATURE_ID=Aligned feature list peak:141 MSLEVEL=2 RTINSECONDS=199.41 PEPMASS=279.0592 FEATURE_MS1_HEIGHT=5.641E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8:874"] SCANS=141 Num peaks=74 54.966316 22 61.001625 20 82.028709 22 83.931648 30 89.022278 26 96.957115 45 99.925087 35 100.93808 21 103.440147 17 105.535973 22 108.244354 20 115.001862 20 116.926704 18 122.067741 22 122.616249 24 126.937897 24 128.035049 6295 128.310669 18 128.599838 18 128.874451 20 129.038086 338 129.153366 19 129.243164 18 130.040863 26 132.02887 18 132.472275 18 135.835403 18 142.924133 22 148.950974 18 149.79454 18 150.013412 17 155.952103 98 163.035736 18 164.956131 20 166.007645 20 166.962662 18 167.165176 18 167.953476 19 177.965515 21 178.967941 21 189.95163 20 191.076218 20 192.969421 25 193.977402 27 194.964035 208 195.005005 21 196.983444 18 205.376236 20 205.860962 18 212.346451 24 212.976654 18 215.050354 39 216.946762 18 221.006271 26 222.554214 19 225.048248 18 225.935211 18 234.998932 24 236.001709 17 262.012451 18 269.067322 18 278.009949 18 278.17923 20 278.6362 28 279.061951 461 280.043091 31 280.138336 20 281.062531 35 281.112335 64 281.180084 38 281.242493 22 415.78241 18 448.686401 22 1002.725891 21 END IONS BEGIN IONS FEATURE_ID=142 FEATURELIST_FEATURE_ID=Aligned feature list peak:142 MSLEVEL=2 RTINSECONDS=200.26 PEPMASS=338.10879 FEATURE_MS1_HEIGHT=5.262E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8:890"] SCANS=142 Num peaks=118 69.758034 20 72.99115 18 79.956253 18 82.028648 71 83.93187 114 85.030502 22 85.394035 18 87.04438 20 89.022514 24 94.942078 18 95.68634 18 96.956932 38 100.925018 25 101.024162 18 102.933105 27.000002 111.935837 17 113.022583 27 115.023247 19 116.930672 66 117.932144 29 119.038933 23 120.960457 17 127.028313 20 128.03447 35062.042969 128.085571 88 128.239578 18 128.441223 27 128.658524 18 128.687714 22 128.989594 18 129.038284 2571 129.406387 18 129.554565 18 129.94751 18 130.040527 298 130.08728 18 130.272278 20 130.285492 22 130.318939 17 131.036926 38 131.071594 22 131.096191 17 131.636871 17 132.242981 28 132.407303 18 132.917984 18 132.991089 18 136.991257 18 137.589767 28 144.996292 20 145.89032 18 148.958298 100 149.957626 35 164.980225 39 166.05452 19 166.97023 269 167.96521 62 171.065186 42 171.101028 18 174.987671 18 176.955093 22 178.902405 18 178.965363 23 180.114258 19 181.074234 91 181.88205 22 182.966614 18 183.009918 302 184.012283 35 185.962448 22 188.069214 35 193.95079 22 194.965225 84 197.028824 42 198.032257 21 201.938629 20 202.850967 34 203.957962 56 205.156982 20 205.95137 42 206.015839 30 207.026459 32 208.964722 44 210.955307 1283.46228 211.132401 20 211.951859 144.012375 213.000351 22 223.93486 18 227.07222 21 228.060944 30 235.077652 22 239.0681 19 240.181519 18 249.012451 18 257.014526 24 259.982483 24 260.977631 17 268.878845 21 277.950989 18 279.017365 17 295.998047 17 319.793091 28 323.022766 20 337.20163 18 338.11554 20 339.080536 18 339.199615 2408.068848 339.295776 38 340.112305 26 340.206543 697.618103 340.361816 17 341.200745 158.992737 341.304626 35 347.237183 33 348.086884 18 360.393372 19 462.588196 18 565.723022 18 END IONS BEGIN IONS FEATURE_ID=143 FEATURELIST_FEATURE_ID=Aligned feature list peak:143 MSLEVEL=2 RTINSECONDS=200.26 PEPMASS=427.12655 FEATURE_MS1_HEIGHT=6.144E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8:889"] SCANS=143 Num peaks=163 51.52343 27 53.423946 18 57.055092 29 59.212044 19 61.007687 24 66.984337 18 69.271126 18 74.989227 31 75.828812 18 78.274063 24 78.305901 22 80.964294 18 82.657524 18 96.965645 20 97.031792 46 97.672264 17 98.032837 18 99.028 50 100.380203 18 101.024643 88 101.071495 20 101.703728 20 107.905708 20 113.020096 55 114.022133 20 115.019638 39 116.929375 18 119.028778 17 119.547195 19 121.969589 43 125.023987 22 128.033798 213 129.733276 18 131.037598 20 131.284637 19 133.925674 18 134.238251 18 141.099823 21 141.898514 34 146.053436 20 147.901245 18 151.890335 26 155.903549 17 156.887589 18 159.453339 35 159.96286 18 160.888046 26 161.911697 19 162.041061 18 163.059555 95 164.894669 18 165.04953 20 165.072723 26 166.499634 17 166.967682 19 168.048996 45 168.066956 19 168.417816 17 170.043808 20 171.050156 231 176.236938 30 178.350815 20 183.026077 24 187.037933 19 187.959717 26 188.062027 93 189.057251 598 190.060257 45 191.079163 22 191.925812 45 202.951599 22 207.07103 25 208.059601 21 208.075775 36 210.924362 29 216.409927 21 217.046524 18 219.041107 18 219.067429 24 222.019867 22 223.036057 18 224.876099 17 227.955826 20 231.068115 69 236.982605 42 244.087723 22 245.088928 47.195484 253.000702 18 253.295258 22 256.948212 27 260.01474 20 261.078827 96 265.994537 17 276.095886 21 277.001984 20 277.103363 30.999998 279.058075 170 279.125732 18 280.056458 18 281.014435 25 291.093414 56 291.947266 21 297.012207 31 297.958221 46 297.991425 18 299.948486 59 300.90918 20 301.0914 18 310.998138 27 322.109497 17 323.072052 18 325.17868 20 329.125641 26 330.251953 20 331.044647 18 334.11853 521 335.113678 2686.725586 336.120605 260.971069 336.863617 17 337.046814 26 337.115723 20 337.426056 17 348.630859 22 352.126251 104 353.126923 348 354.12793 18 355.122925 20 367.683716 20 368.998932 19 371.084961 26 380.123047 427.860779 380.18338 18 381.121796 1744 382.125458 354 383.113098 66 383.496887 20 385.10025 18 399.134705 18 404.875336 18 406.95282 39 408.964966 19 413.496918 17 422.149719 30 426.134338 565 426.967041 58 427.054993 22 427.124084 3046.435791 427.234375 18 427.314117 56 428.129791 528 429.074036 19 429.125244 141 435.018494 19 440.771088 24 486.804626 18 618.417786 18 631.128723 27 670.822815 19 885.194641 30 1004.68457 22 1069.080688 22 1110.446167 17 1193.938965 18 END IONS BEGIN IONS FEATURE_ID=144 FEATURELIST_FEATURE_ID=Aligned feature list peak:144 MSLEVEL=2 RTINSECONDS=200.47 PEPMASS=510.18298 FEATURE_MS1_HEIGHT=6.993E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8:945"] SCANS=144 Num peaks=67 51.407265 24 61.986095 17 80.957504 20 84.009422 31 89.027657 18 103.164627 24 124.455284 24 126.90197 17 127.871696 17 128.03476 9410 128.199203 18 128.513199 17 128.95401 18 129.038193 884 130.034424 17 131.05011 20 134.345581 19 136.990967 41 151.703918 35 159.099686 21 161.055847 18 179.050797 25 188.0457 22 196.025711 24 214.159103 24 219.843735 18 261.958954 21 265.146973 20 281.079132 22 293.917511 18 311.16571 55 321.976501 38 325.199799 21 330.602081 18 341.060333 20 348.008209 22 351.955414 30 354.944153 18 358.041687 18 377.983856 20 378.903381 20 380.004791 18 380.090698 17 381.14328 21 393.068298 22 403.247131 34 418.92807 18 427.117493 17 451.20108 19 463.227997 38 463.269348 39.725231 464.228333 18 465.203308 18 466.883362 17 473.873657 24 477.270752 39 494.356415 19 499.080872 33 510.186127 66 510.281189 20 513.033203 22 513.314941 21 514.068298 18 580.164734 28 704.160706 20 762.715698 18 801.831299 20 END IONS BEGIN IONS FEATURE_ID=145 FEATURELIST_FEATURE_ID=Aligned feature list peak:145 MSLEVEL=2 RTINSECONDS=203.33 PEPMASS=428.11891 CHARGE=-1 FEATURE_MS1_HEIGHT=1.364E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8:895"] SCANS=145 Num peaks=168 50.242786 28 54.434898 29 54.846645 22 62.686443 17 63.790009 21 64.771996 19 65.274307 43 66.376572 21 69.116013 18 72.689331 21 75.209442 22 77.870399 18 81.283974 20 82.027672 39 82.837044 20 83.055077 18 84.046181 18 84.940964 23 86.897209 18 90.129684 20 93.030373 92 97.156471 18 103.821091 21 111.979767 48 114.905563 17 115.767815 25 119.228523 17 122.413254 22 124.001709 18 124.955597 20 125.060715 17 125.092606 19 126.164383 18 126.438255 23 126.901756 17 127.502983 25 128.035278 34893 128.065079 29.28059 128.086426 107.784935 128.385223 20 128.497009 20 128.799332 70 128.870529 18 128.990509 20 129.03862 2673.857422 129.067566 19 129.317749 21 129.464722 17 129.534683 44 129.779358 18 130.041199 277 130.085236 21 130.259964 21 131.034012 20 131.447174 49 132.044907 24 132.05925 18 132.177017 23 133.669083 18 136.99144 20 137.023956 539 138.027786 20 143.186493 18 143.244141 37 143.52269 19 148.430969 20 150.135284 32 151.049133 48 153.055069 17 153.665573 25 156.907516 20 160.474701 27 162.917236 17 165.051727 18 166.052032 21 173.927979 18 174.116898 22 180.161118 22 182.767868 38 183.069229 17 183.963379 18 188.12413 23 191.038177 20 193.072876 18 197.294479 20 197.949326 22 203.053787 21 207.016891 47 209.954773 24 210.957321 20 217.930252 59 219.988449 21 220.526886 20 226.160904 17 227.972321 18 237.070465 18 237.474945 20 238.056152 23 240.86705 18 240.952942 18 253.010864 18 255.065475 18 265.148499 18 266.009735 18 267.133026 17 276.92749 20 279.064026 75 280.058594 22 281.071838 21 296.207397 20 297.002045 18 299.080658 20 307.015259 18 309.979614 18 312.073853 21 339.017456 18 342.191833 21 345.632446 20 362.134369 18 364.912048 33 365.999939 18 369.837372 18 371.202637 18 378.088348 17 384.060791 31 398.123138 17 400.870087 70 406.068146 18 406.939972 31 410.164795 20 411.288605 19 426.960022 18 427.240356 19 428.119537 433 428.233978 18 429.122498 143.274307 430.11615 45 498.292206 23 565.238342 19.999998 599.160156 18 604.191467 23 622.149719 17 633.038025 21 635.909851 18 656.773987 18 664.08606 35 679.436951 21 846.204468 23.999998 920.768188 19 976.121033 18 1002.617859 26 1007.452026 18 1009.571594 18 1025.215942 18 1066.110229 21 1101.752075 21 1105.085327 18 1112.329956 22 1131.721436 24 1142.24353 28 1163.760498 22 1166.137817 23 1172.164795 28 1175.88855 30 1176.672974 23 1177.328613 18 1197.066528 20 1199.233032 18 END IONS BEGIN IONS FEATURE_ID=146 FEATURELIST_FEATURE_ID=Aligned feature list peak:146 MSLEVEL=2 RTINSECONDS=203.59 PEPMASS=283.0845 FEATURE_MS1_HEIGHT=7.539E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8:1017"] SCANS=146 Num peaks=195 50.05825 17 53.725548 20 54.941372 21 56.849979 24 61.891106 20 63.912361 19 66.080994 17 67.505226 25 68.003853 23 71.050186 65 72.404007 22 74.311661 20 74.623405 18 75.613403 18 75.708038 20 76.343056 18 78.966179 36 85.069588 72 89.021461 18 89.096756 33 90.634682 18 91.143196 22 92.255524 17 93.846809 37 94.193047 21 94.654922 17 95.319717 18 96.959259 3639.292725 97.933922 23 97.956856 60 97.991646 18 98.346458 18 98.955658 246 101.108498 19 102.019859 21 102.397148 24 106.520401 31.999998 107.042992 18 113.059242 94 114.939171 38 116.28286 21 117.298615 23 117.926628 22 118.043236 25 120.546249 17 125.020844 17 127.039597 27 127.922043 32 128.034485 70 128.238647 20 128.292282 19 129.057953 18 131.084808 21 133.9832 18 135.005447 19 137.022858 21 137.060989 36 140.099716 21 143.039368 18 145.034363 18 147.111588 28 149.977783 19 150.02124 17 151.025024 159 151.928207 21 152.026596 20 153.018875 41 154.059662 22 158.847351 21 161.039368 17 164.034805 20 164.899887 28 164.99234 20 166.058167 19 166.958618 17 166.982529 19 168.985092 19 169.972122 40 178.055496 18 178.712387 18 178.819855 21 181.008286 21 181.087738 19 184.689194 18 185.118652 58 186.121231 21 190.053513 20 194.037704 18 194.966858 91 199.743652 18 200.059708 38 203.13063 519 203.564545 18 204.135468 151 209.92067 20 212.795837 18 217.246765 18 219.844772 18 221.07724 18 221.193863 22 222.915909 17 225.012527 17 226.718674 24 232.441315 20 235.372147 22 237.046387 55 238.340225 18 238.63913 42 238.864532 53 247.1091 18 254.54483 23 265.339966 18 274.034882 17 282.033539 25 282.24762 19 283.083618 2238.080566 284.034546 18 284.088348 238 284.72049 21 285.083984 195.263031 285.16864 18 285.700714 26 286.07019 19 286.089203 23 288.558441 17 307.062347 20 312.053955 48 325.186737 35 329.049011 24 330.743713 23 339.262207 18 341.050903 19 349.185486 17 358.940887 18 363.920044 22 387.060089 19 401.13385 17 408.057648 19 417.107147 98 417.232086 21 420.116852 19 424.978424 17 435.199585 19 450.276093 22 451.043457 22 457.830963 18 463.235138 19 490.03418 17 517.021301 18 531.585449 18 540.160278 20 545.125549 17 562.268921 20 568.916321 18 593.139893 18 621.110962 17 623.227356 17 644.207153 23 653.004761 22 661.071167 20 667.212646 18 672.15332 19 694.227722 18 697.464905 20 705.244385 18 715.266357 21 715.52124 20 728.219482 18 745.189453 22 746.106628 17 766.209106 18 766.28302 25 778.630005 27 789.101501 18 794.210693 20 797.584534 17 825.783569 22 863.197998 18 875.167969 18 918.314819 26 928.109619 17 943.278015 18 987.211304 18 1028.376709 20 1060.333374 17 1061.307861 23 1076.361084 22 1085.179443 25 1098.192383 18 1109.353638 34 1119.669922 24 1159.407227 18 1174.660278 18 1186.34021 18 1190.246704 39 END IONS BEGIN IONS FEATURE_ID=147 FEATURELIST_FEATURE_ID=Aligned feature list peak:147 MSLEVEL=2 RTINSECONDS=203.60 PEPMASS=299.07654 FEATURE_MS1_HEIGHT=9.341E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8:774"] SCANS=147 Num peaks=190 50.273094 38 50.321522 18 51.048248 30 51.089882 22 52.578289 21 52.913887 18 55.243412 20 60.251938 17 64.128952 32 67.828514 18 68.473686 28 68.651146 20 68.851654 24.000002 70.924706 28 71.014748 19 76.714676 17 78.960983 18 83.051987 48 85.035187 36 88.160057 21 89.021858 17 92.024094 58 93.033745 4577 93.505852 37 93.735077 20 93.800835 19 94.03791 261 94.55954 21 94.89444 18 95.040962 34 96.761879 25 101.605057 20 102.028824 22 106.119621 24 112.005997 49 113.029999 33 113.661125 18 113.942932 20 114.900948 18 115.228958 22 115.544128 20 116.933357 23 123.360527 18 125.387619 33 128.032791 42 130.087509 18 132.929962 29 133.012863 18 135.111008 18 135.244095 17 136.994415 41 137.024155 9132.006836 137.319229 34 138.027679 760 138.205673 18 138.416824 20 139.029144 80 141.868362 21 142.927979 21 146.822708 21 147.009598 27 147.064606 18 148.961685 44 149.055496 18 150.029709 26 152.896347 18 156.894745 20 157.055008 20 165.00766 18 167.982224 18 168.023117 18 169.056168 18 169.743256 18 179.028702 17 179.981079 49 183.011658 72 184.017853 19 185.49826 18 188.056763 23 189.966461 24 195.972595 18 201.667725 22 204.154602 19 204.842102 18 210.908493 29 216.757797 17 223.029709 20 224.224152 18 227.070312 20 227.957153 20 229.159348 34 229.196716 22 229.327332 22 233.713501 18 235.912888 20 237.961212 18 238.88089 20 240.976334 22 241.05751 18 242.027542 30 244.087585 22 245.756531 18 245.883926 18 248.444199 17 251.008072 19 254.840851 22 254.900162 17 255.106247 20 255.932556 20 256.042053 21 257.03186 22 266.44458 18 270.369629 18 279.49646 21 279.726074 29 282.014984 23 282.763428 30 282.994354 30 288.15036 18 288.989044 18 297.987213 18 298.068909 18 298.154083 68 298.976929 18 299.076508 54 299.15332 120 300.40625 23 301.001312 18 301.194733 46 302.116364 24 314.344849 18 322.35376 18 333.381104 18 353.190308 18 359.082733 18 373.189148 22 374.935425 20 380.084076 30 382.131104 38 410.094177 28 415.766968 18 453.984528 18 457.246765 20 468.249451 20 471.068298 17 516.121521 29 521.445679 18 524.74585 20 546.905457 19 589.958557 18 599.170471 18 600.13623 20 607.131226 18 607.167725 20 629.141663 17 637.095703 18 655.40686 17 661.351196 17 688.49176 37 695.671875 43 721.056458 18 789.223938 20 821.124634 20 828.161377 28 833.528625 19 834.527161 22 842.117676 17 873.106323 18 883.368713 20 893.554993 31 894.030273 18 911.031128 18 927.997314 24 938.530762 20 944.205627 24 988.146973 18 1004.407593 34 1007.420044 18 1027.970703 18 1053.594238 18 1062.271606 20 1067.629395 19 1089.626831 18 1095.183472 20 1112.119385 23 1113.629517 18 1120.56897 20 1129.529907 41 1182.771729 18 1189.609741 18 END IONS BEGIN IONS FEATURE_ID=148 FEATURELIST_FEATURE_ID=Aligned feature list peak:148 MSLEVEL=2 RTINSECONDS=204.76 PEPMASS=188.05587 FEATURE_MS1_HEIGHT=1.416E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8:892"] SCANS=148 Num peaks=178 50.781746 20 52.0173 24 52.061634 20 54.034531 109 55.446201 30 56.793869 24 58.0289 17 59.012741 242 59.499805 18 63.567505 29 66.703346 17 68.050438 79 69.041817 18 69.053474 21 69.90963 18 70.148277 20 70.67215 20 71.909462 22 72.041977 17 74.02433 117 75.021561 21 75.344879 19 76.973038 17 79.031433 20 82.065048 19 83.031372 18 84.045441 142 85.028885 141 85.049133 18 86.031113 26 87.007462 168 91.710228 22 93.02787 18 93.069534 36 94.510719 17 95.984688 17 96.009201 24 97.48201 22 98.023659 116 98.060661 93 98.096931 17 98.571457 20 99.063911 20 99.275581 19 100.039108 184 100.077011 1162 100.934479 19 101.079544 94 101.578995 20 102.034683 18 102.05558 3530 102.812271 18 102.889214 17 102.947815 26 103.059097 195 103.080162 22 103.301956 18 109.025307 18 109.207191 17 111.009308 334 111.058533 17 113.927711 18 114.507065 20 116.036072 28 118.027885 17 122.184891 20 122.254242 20 122.853081 28 122.993591 17 125.098343 45 126.056908 331.714478 126.586548 25 127.057243 22 128.034302 3216 129.039474 276 129.708466 19 131.06665 19 132.390793 20 135.044525 20 137.024536 35 138.257935 18 138.333267 18 140.000839 22 142.07811 23 142.090805 44 143.070663 22 144.065582 1188 144.997574 20 145.06691 107 146.046036 595 146.072205 22 146.551575 40 146.640793 20 146.897385 40 147.051758 36 149.204163 28 156.386612 21 160.889435 18 168.111252 25 169.058441 19 170.043365 552 171.040451 17 179.858643 22 188.054459 1205 188.088165 65 189.061539 113 190.061325 24 191.026184 28.999998 191.05896 18 204.837601 24 207.902679 17 212.253464 18 213.681122 20 217.591553 17 231.418289 18 235.840027 28 238.824356 27 240.969803 17 244.725128 18 255.031616 21 255.963181 24 279.942657 41 282.967438 27 297.151367 20 299.558441 23 304.147003 18 311.167999 20 312.168304 24 316.828888 17 318.693329 26 322.011566 18 327.306763 18 339.192291 17 361.775696 17 370.308289 19 381.991119 26 390.867157 20 399.012726 26 400.025696 23 421.710876 19 435.272217 18 466.130707 18 475.160278 22 481.084106 20 493.308502 24 535.263 21 552.613037 17 576.079773 19 606.567688 21 608.146484 18 608.829651 18 617.223206 18 623.036865 18 692.971863 30 702.139282 18 703.950928 24 714.52417 21 726.383423 18 775.228821 22 787.330078 20 790.232422 21 835.515869 21 860.479065 27 921.46991 17 929.052979 35 941.096375 27 945.628418 44 958.320007 21 1021.489868 21 1057.587036 18 1069.575439 18 1083.775146 17 1132.135498 20.000002 1143.449219 33 1159.79248 17 1164.168091 24 1169.979736 28 1178.998291 22 END IONS BEGIN IONS FEATURE_ID=149 FEATURELIST_FEATURE_ID=Aligned feature list peak:149 MSLEVEL=2 RTINSECONDS=205.04 PEPMASS=417.10312 CHARGE=-1 FEATURE_MS1_HEIGHT=2.338E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8:1022"] SCANS=149 Num peaks=230 50.131725 18 52.203461 21 53.83176 20 57.037708 18 57.427258 17 58.918125 18 59.013161 723.754761 59.205658 18 59.35973 29 60.017487 25 61.475239 18 70.899185 22 71.013054 627 72.01358 26 73.029564 44 73.043045 29 75.008492 18 75.46212 24 77.866127 19 81.342331 26 81.720421 23 82.79895 18 83.010307 20 84.022621 48 85.029312 101 86.029366 18 87.005966 79 87.497627 21 89.023911 1673 89.21418 17 89.338959 18 89.465416 20 90.026993 68 91.050743 18 93.035133 168 93.395164 17 95.009064 21 95.049301 25 95.704224 18 97.027809 40 99.009033 19 99.046455 220 99.943146 27 100.050629 20 101.023323 1255 102.025612 44 107.047783 98.799789 108.054832 19 109.023155 57 112.052437 45 113.024086 739 113.194633 22 113.460693 17 114.027344 22 115.036972 19 117.349236 21 117.491371 18 119.034363 1229.255127 119.616486 17 119.859573 17 120.037994 35 120.050743 20 121.027374 667 121.063408 61 122.037193 72.22364 123.042549 40 125.027946 33 125.936066 26 126.583809 19 127.037109 19 127.056152 21 127.159393 19 128.036011 18 129.030045 18 130.552216 18 131.046799 90 132.049942 22 134.11377 20 135.045502 207.322113 137.05983 752 138.061478 86 139.038483 522 139.686646 20 140.038071 40 142.05217 18 143.03244 133 146.029816 37 147.044418 434 148.043961 19 149.051041 241 151.235458 18 151.447311 29 152.195908 18 153.05452 151 153.94014 48 154.374985 22 156.256012 23 156.828613 18 159.008072 19 159.030762 19 159.53746 17 159.886841 22 161.047287 159 161.509094 17 163.038422 35 165.055283 1784.439697 165.092789 20 165.959381 21 166.055527 152 166.718979 23 167.051422 32 167.064758 51.082191 167.949203 54 169.13649 21 172.139175 19 175.034058 72 176.044022 38 179.056122 416 183.065079 867.69812 184.06987 37 184.955658 19 186.66539 20 188.795486 18 188.933899 18 189.052399 36 190.055023 34 191.032242 62 192.031036 20 193.050598 325 194.043289 22 194.060379 23 195.047409 27 197.986084 22 201.054428 20 204.900497 20 207.046066 17 207.560638 18 209.045242 323 210.047852 20 211.059006 370 212.057739 50.844379 212.85611 17 218.237991 18 220.018127 19 221.035141 18 221.115936 26 227.059219 229 228.757736 18 236.081039 18 236.489105 18 237.03862 1672 238.042084 281.932495 239.044189 39 241.077972 24 243.336624 17 251.007614 23 255.050827 178 255.551361 17 256.050476 62 266.936462 17 268.016235 18 276.929596 18 280.974091 18 285.70694 27 287.169525 18 287.387939 27 289.98941 24 290.949127 24 293.066254 47 295.060913 18 305.034332 19 305.066223 17 306.420349 26.999998 328.322693 18 328.668518 24 329.148315 33 334.328278 21 344.086395 42 345.986877 22 355.180908 18 355.807281 19 357.053955 28 362.868073 39 368.78775 22 372.093414 78 373.095612 22 383.989838 17 385.260284 17 386.858124 20 389.105469 616 390.115265 213 390.452728 25 398.060425 24 399.063416 50 400.872131 21 401.052979 18 401.0896 25 417.10321 4050.656982 418.106201 572 418.193512 39 419.101471 106 419.195953 22 420.127869 21 420.188446 25 433.46283 24 477.399994 19 477.598083 24 486.940308 20 516.14093 18 532.078064 17 564.148743 20 572.426025 19 588.197083 24 593.151428 31 640.22583 38 690.223938 22 751.271179 20 805.469238 25 835.393616 21 843.327087 20 896.128662 18 1052.060791 21 1069.27832 20 1083.263428 18 1137.864258 22 1142.442505 30 1177.024902 18 1194.113159 24 1194.674683 18 1198.738037 20 END IONS BEGIN IONS FEATURE_ID=150 FEATURELIST_FEATURE_ID=Aligned feature list peak:150 MSLEVEL=2 RTINSECONDS=205.30 PEPMASS=157.01372 FEATURE_MS1_HEIGHT=1.412E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8:902"] SCANS=150 Num peaks=85 65.098778 18 69.033302 254 70.039719 19 71.01181 62 74.404533 18 74.898705 18 78.14196 28 80.382919 17 84.119133 21 85.029984 41 97.188744 18 98.294899 21 105.703697 30 105.855309 18 106.508949 17 111.008911 18 113.019867 25 114.938797 24 115.14093 18 116.929695 87 123.244911 18 124.217476 21 124.638107 26 125.923531 17 127.111252 22 138.745148 20 141.755814 17 142.893585 25 148.399628 20 148.438309 17 156.89476 38 157.014847 195 158.015442 59 158.891464 42 158.941864 23 159.944214 37 161.032303 20 177.962753 20 187.923019 18 190.448166 17 193.042511 52 195.048691 25 196.885361 17 200.034439 28 203.535355 20 205.950836 39 212.696457 20 221.042725 21 223.106155 18 229.242859 31 246.099945 19 283.083832 18 287.97818 17 291.538391 35 292.229553 18 342.155273 17 355.565735 20 366.795044 22 374.039215 26 375.010773 19 375.278046 37 399.061676 19 411.083496 20 425.011993 18 461.573944 18 476.274414 20 538.148254 18 552.160278 18 570.963989 21 597.229797 18 638.830139 28 697.6698 18 712.04126 18 715.568359 18 730.498047 26 872.192688 18 889.410583 18 937.661926 30 982.25 18 1038.623047 21 1065.346069 40 1121.677124 18 1129.291138 21 1149.082031 18 1157.664185 32 END IONS BEGIN IONS FEATURE_ID=151 FEATURELIST_FEATURE_ID=Aligned feature list peak:151 MSLEVEL=2 RTINSECONDS=205.30 PEPMASS=175.02426 FEATURE_MS1_HEIGHT=1.066E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8:910"] SCANS=151 Num peaks=82 58.130909 17 58.810551 18 59.012108 51 61.841469 17 69.034195 1742 69.797729 17 70.036812 54 71.012222 369 72.981804 18 73.914116 18 78.960052 39 80.895744 19 85.026093 67 85.926353 24 85.942757 21 87.044884 2362.045654 88.04792 115 88.352066 19 88.406242 22 89.868607 18 89.904106 19 104.352997 18 108.113983 20 109.997246 23 112.043549 34 113.02317 746 113.883163 22 114.027161 56 115.005096 96 115.038673 38 125.832794 20 131.03447 531 142.054626 21 142.892776 18 144.375244 20 148.133774 27 148.193909 23 150.057419 20 156.953491 20 157.013626 5689.02002 157.094025 20 157.887482 17 158.015976 543 158.899643 18 159.014511 82 159.892914 34 160.885208 33 164.713226 18 169.084305 34 170.050201 32 170.760925 26 174.85965 22 175.024445 846.842651 175.803787 18 176.029709 74 178.877518 19 181.726288 18 185.208481 18 192.189423 22 199.74086 20 236.086929 18 253.186844 20 267.070862 22 304.967255 17 325.869385 18 335.719452 19 351.656097 39 352.177826 20 355.796661 28 377.141998 45 381.56192 25 407.742828 30 471.810547 18 472.055176 20 506.139038 19 513.101379 18 516.872437 17 525.826721 17 965.034668 18 1041.648804 24 1144.310303 19 1180.075562 22 END IONS BEGIN IONS FEATURE_ID=152 FEATURELIST_FEATURE_ID=Aligned feature list peak:152 MSLEVEL=2 RTINSECONDS=209.86 PEPMASS=128.03483 FEATURE_MS1_HEIGHT=7.743E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8:937"] SCANS=152 Num peaks=105 53.68079 21 53.849449 18 54.616856 18 57.902489 33 60.448956 21 64.373398 18 64.450958 21 65.357887 18 69.658188 22 71.462418 18 71.665314 22 72.68779 20 72.800797 24 73.754898 18 79.020355 18 82.025856 18 82.151184 21 85.83754 22 92.443794 18 93.366341 20 94.318283 20 95.385231 18 103.065948 40 112.234352 21 113.179977 36 113.650536 18 118.529167 19 119.252304 25 121.042183 19 121.987099 18 123.678078 19 124.356743 55 128.035522 470 129.026352 22 129.040344 26 130.041977 17 130.083755 29 130.69429 19 130.940948 22 132.121017 18 141.372986 22 144.270859 27 144.880295 19 146.975937 26 147.406738 19 157.020111 20 160.85257 25 165.409363 18 220.071609 22 220.758713 18 225.828125 19 239.437653 21 245.021423 27 260.338379 22 262.012543 38 285.127319 31 293.775238 25 306.723602 17 313.262787 17 321.775177 18 325.184967 20 338.026276 18 348.028992 19 356.588837 18 366.392578 17 370.119232 23 437.827362 27 447.954559 26 453.118408 17 465.616699 20 475.456268 19 477.158051 18 498.174896 30 540.199585 21 615.788635 23 617.374939 19 638.256165 18 646.292908 21 654.923035 25 680.218018 20 690.303955 19 698.983276 18 711.079712 18 716.544067 18 732.089172 17 784.513977 22 814.724609 20 886.167114 20 891.988953 25 931.99585 25 984.910278 17 1000.14624 18 1018.096802 28 1034.619629 19 1075.318237 18 1087.480225 24 1094.222412 25 1143.229492 27 1181.725952 20 1184.636353 18 1191.129272 22 1194.49939 19 1194.874634 21 1198.391968 20 1198.572388 18 END IONS BEGIN IONS FEATURE_ID=153 FEATURELIST_FEATURE_ID=Aligned feature list peak:153 MSLEVEL=2 RTINSECONDS=209.89 PEPMASS=389.10793 FEATURE_MS1_HEIGHT=5.072E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8:1066"] SCANS=153 Num peaks=122 59.0117 42 71.014626 95 78.958069 18 81.034683 41 89.022743 99 94.041267 34 95.045837 22 97.026962 21 98.058472 17 100.04464 19 101.028854 71 105.937386 27 106.041054 19 109.025391 81 109.454216 23 109.993484 21 111.038307 38 113.024132 116 114.944763 20 116.041901 18 117.087242 18 119.032639 145 120.036896 18 121.028183 18 122.795113 17 127.021347 29 128.243454 20 129.029861 26 130.095917 42 131.034897 17 134.054688 17 136.993027 39 137.058655 96 138.089279 24 138.992676 18 139.039886 100 140.042343 17 140.956741 26 143.93512 27 144.584351 22 147.046951 18 149.81871 29 151.03833 18 152.065552 28 153.054459 20 157.033875 44 158.738434 68 161.051773 18 162.028183 40 165.055649 73 166.049866 18 169.949142 18 169.987961 20 171.941238 24 176.002914 17 176.026047 27 178.877289 17 179.059402 18 180.033203 26 181.045334 17 181.066208 18 183.062805 84 185.078964 24 191.026993 28 191.954254 18 193.044464 20 195.096725 17 197.969055 25 198.874268 18 199.955185 21 200.950134 26 203.032501 18 204.050751 20 207.063797 18 209.04541 91 216.938416 17 225.079025 20 227.054626 96 229.98526 18 232.051865 28 241.97673 21 247.041061 19 253.969604 18 255.056931 25 255.126282 20 256.116882 18 257.208344 23 259.997162 20 261.969971 18 270.869263 18 274.118988 18 280.082123 17 284.928925 19 284.990875 20 290.05545 26 290.964996 18 301.993256 18 311.078369 17 318.055359 36 325.18515 36 343.971619 18 344.872162 25 346.031525 20 363.065094 18 363.110138 36 371.15918 18 388.081207 18 388.148285 18.589006 388.174957 20 389.113586 319 390.110443 18 390.141663 25 390.173004 18 390.195984 17 391.165771 60 391.992096 17 392.089478 29 393.076233 45.093433 393.094086 20 442.024719 18 482.241943 20 729.796448 18 END IONS BEGIN IONS FEATURE_ID=154 FEATURELIST_FEATURE_ID=Aligned feature list peak:154 MSLEVEL=2 RTINSECONDS=209.95 PEPMASS=181.07119 FEATURE_MS1_HEIGHT=1.164E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8:1010"] SCANS=154 Num peaks=189 52.150936 18 52.438648 18 52.647289 18 53.395809 18 54.853302 17 55.019695 64 55.647118 20 58.156895 20 59.012405 329 59.6469 20 60.026451 20 61.722969 26 62.980122 21 64.179314 18 64.441956 24 68.430733 18 68.930611 17 68.996887 18 69.035103 40 69.886536 17 69.992561 23 71.013405 881.800049 72.01487 18 73.029778 139 76.516548 18 78.982224 38 81.922661 18 83.01265 159 83.082253 18 83.330978 20 83.616249 17 84.016548 18 85.029518 150 86.031563 17 89.024734 830.884766 89.4589 20 90.025566 18 91.034996 25 93.035576 22 95.011345 19 95.493103 17 96.960724 17 97.02951 90 98.835159 19 99.019981 26 99.924446 18 100.458008 27 101.024895 852 101.624313 18 101.954559 18 102.030525 95 103.043571 17 109.028069 17 110.024567 18 111.040421 29 111.678223 22 112.186104 17 112.834061 18 112.981659 41 113.022385 49 113.979012 21 113.990395 42.637642 115.037956 53 116.930336 41 117.675285 18 118.030548 36 119.034782 155 120.045464 20 123.747307 20 125.723007 20 131.034393 106 135.990234 24 137.020111 51 137.277023 18 138.05481 95 139.996368 18 140.894775 17 143.029358 26 145.046326 20 145.547729 18 146.404831 17 148.27356 25 149.044525 36 158.411835 24 161.047012 26 161.893173 18 163.061554 279 165.020844 26 166.051926 19 167.057632 18 169.013062 17 181.011551 18 181.073364 704 181.986099 18.485104 182.002396 35.514896 182.042633 36 182.07518 101 182.991043 18 183.00618 18 183.150452 28 184.38208 17 185.089325 25 192.859222 20 194.515442 18 201.047928 17 221.946228 23 224.059891 66 230.776245 18 232.936768 18 246.164642 48 250.492783 20 252.186081 18 254.223618 18 254.467926 17 265.152191 17 279.008972 18 279.094727 19 284.260376 18 287.057281 20 300.940125 35 310.037811 17 317.111938 18 321.99054 20 325.189087 20 330.626404 17 332.216736 19 338.603851 19 387.989716 29 389.121918 40 390.640106 20 397.97287 18 399.889252 34 401.400879 18 410.211456 20 416.109283 20 417.107056 38 418.107117 21 423.110809 24 425.114197 23 427.134552 20 431.125305 65 438.129517 53 439.555267 18 451.120331 17 457.313049 25 457.505737 17 462.803589 18 464.144806 18 515.377747 23 536.708862 20 572.359192 18 582.685242 17 594.248291 17 625.150146 21 627.1828 23 636.164795 18 648.064148 18 651.163269 18 672.958069 18 689.505005 20 700.541931 18 716.523621 18 760.487183 19 785.228943 21 788.23053 45 793.987976 42 833.521729 38 862.376648 47 887.933411 24 920.509888 18 925.431702 18 925.544373 34 928.356018 18 968.146423 26 969.612854 30 1020.058655 18 1038.98645 19 1044.423584 20 1046.915527 18 1054.37915 22 1061.316162 24 1064.709106 26 1071.826172 18 1092.728027 28 1096.077759 20 1139.285034 27 1146.274292 18 1148.820679 18 1181.61145 22 END IONS BEGIN IONS FEATURE_ID=155 FEATURELIST_FEATURE_ID=Aligned feature list peak:155 MSLEVEL=2 RTINSECONDS=210.47 PEPMASS=167.07077 FEATURE_MS1_HEIGHT=5.112E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8:1059"] SCANS=155 Num peaks=111 55.85627 21 57.704941 29 58.603058 22 59.129154 18 60.413174 17 63.690773 54 64.611893 18 66.474533 18 66.52533 20 66.580017 19 67.818222 22 68.559303 29 72.048279 30 75.992134 27 78.959221 44 79.056931 38 79.194458 17 79.82592 29 79.954941 137 81.034683 23 81.955513 52 86.545273 18 91.058189 21 91.358192 20 94.641235 21 94.981888 27 107.048782 70 108.055847 26 109.029167 18 115.445312 17 117.042679 19 117.703049 20 119.050758 306 119.522385 22 123.045601 36 124.026306 20 124.055458 43 125.961235 18 127.03833 18 135.064224 18 137.02388 20 137.05957 199 138.436966 18 138.97403 17 149.058441 29 151.163666 20 154.942368 20 161.665405 19 163.227646 25 164.688583 21 166.055038 286 167.004547 27 167.07341 24 167.784653 20 168.047318 31 168.080261 20 168.977585 18 169.007935 30 169.645569 27 170.006409 17 176.784378 22 178.604752 30 180.136581 24 182.225906 19 190.999908 20 197.422211 28 213.722687 38 228.564194 20 257.774048 25 263.413361 28 281.823547 20 284.204773 27 293.390686 26 309.89035 18 319.200134 26 321.637939 20 328.087982 17 333.584778 20 343.666656 18 355.088074 20 371.197968 19 376.236847 22 396.146515 18 402.509705 25 446.547974 18 495.116882 20 500.311951 17 509.747772 20 557.529175 20 572.125061 19 590.277283 24 618.687256 20 670.062561 22 670.184326 26 734.302551 20 758.441467 26 803.07489 18 864.160583 23 892.408142 18 902.318115 18 923.925232 18 927.285217 35 936.3125 21 1028.341187 21 1068.396851 17 1077.239136 43 1105.03186 27 1118.22229 21 1125.730957 18 1136.213989 17 1193.265503 22 END IONS BEGIN IONS FEATURE_ID=156 FEATURELIST_FEATURE_ID=Aligned feature list peak:156 MSLEVEL=2 RTINSECONDS=210.47 PEPMASS=229.07116 FEATURE_MS1_HEIGHT=7.208E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8:1069"] SCANS=156 Num peaks=252 53.072563 18 57.034992 18 57.081055 24 58.984028 20 60.991039 18 61.982082 18 63.603554 23 65.038025 22 65.560226 27 67.014992 19 68.992935 18 69.033592 232 69.100403 18 70.091553 27 71.008553 38 72.604866 17 72.990982 18 76.973152 26 79.054001 58 80.021797 20 80.201721 18 80.222237 17 81.034355 37 81.069756 22 81.196396 18 83.048439 158 83.356514 18 84.185623 19 85.029709 26 85.946335 21 86.104004 20 86.990326 26 87.045265 302 87.089096 20 88.047363 17 89.047234 18 91.053833 220 91.08773 22 92.056366 17 93.032913 96 93.069923 237 94.075531 82 95.009644 28 95.048897 94 96.049232 22 97.028481 339 97.067825 59 97.936569 18 97.946724 23.512981 98.04203 26 98.953102 37 99.030464 20 99.219551 17 99.92543 17 101.93927 27 102.062675 19 102.929405 18 103.05484 196 103.373703 20 103.464874 34 103.956169 27 104.055595 18 105.030495 38 105.07016 102 106.030128 25 106.043137 77 107.047897 168 108.021904 38 108.05188 33 109.029724 39 109.064941 450 110.03701 28 110.065117 92 111.01004 17 111.042496 77 111.079849 18 111.858589 18 112.047112 19 112.0839 18 112.980896 20 112.995094 29 113.022354 44 113.941093 30 114.949036 29 116.932091 18 119.050743 1618.411743 120.052406 94 121.065331 1132 121.867134 18 122.037369 121.874084 122.069572 97.67392 123.045853 185 123.078865 37 123.290787 22 124.082672 18 125.060165 350.217438 127.000282 41 127.036247 36 127.072563 38 128.046127 27 129.044006 20 129.935165 119 130.089539 17 131.049469 419 133.057968 34 134.037796 104 134.429932 22 137.060135 4202.167969 137.374313 20 137.780228 18 137.942429 23 138.064087 213 138.679459 17 139.073898 247 139.955627 24 140.962601 18 141.935181 77 142.691223 26 142.931808 17 142.944626 38 143.70285 17 143.949966 46 144.030197 18 144.43692 21 144.963623 17 145.910095 17 148.049866 23 149.0616 607.717529 149.082535 21.282455 150.064774 135 150.435608 17 153.050583 24 153.552139 22 153.935547 27 153.961868 23 155.070175 996.011292 155.634979 17 155.907776 18 155.948929 65 156.075073 91 157.078735 47 157.306396 18 157.630997 27 157.930756 143 158.892853 37 158.952942 20 167.070221 2046.275146 167.16188 22 168.031113 45 168.075928 165 168.641373 40 169.0616 20 170.081802 28 171.067459 18 172.027054 20 182.954407 22 182.988419 56 183.93988 21 183.969818 44 184.515717 18 184.952591 20 185.081009 1382 185.434875 19 185.646027 18 185.966339 17 186.085617 177 187.093094 263.563232 187.939011 53 188.103088 37 188.67392 20 190.688019 20 191.777023 17 197.963791 18 199.061218 75 203.033295 38 206.112335 22 206.79332 30 209.629837 18 211.062973 90 213.0746 20 218.655212 18 225.78035 21 228.06662 20 229.041214 53 229.072235 852 230.07756 119 230.101456 27 231.032181 37 231.087067 89 231.931168 18 233.049072 18 238.07135 17 240.984924 18 242.862198 18 244.417175 42 245.100006 18 253.355347 21 257.507843 28 269.200348 18 281.24054 18 282.45874 26 284.057068 18 290.940552 20 295.05304 47 295.960876 52 300.176239 18 309.026672 21 309.653351 18 311.170074 18 312.019501 18 326.187683 22 335.088715 20 337.996582 20 349.060455 20 354.059753 20 354.087982 22 354.127228 18 388.294067 25 418.109772 18 425.176239 18 439.595001 22 441.704834 18 442.104492 18 466.091827 21 466.71701 20 471.108032 18 502.071686 24 525.900208 31.000002 570.260742 18 585.244324 18 636.613464 30 645.186768 17 649.513245 17 772.180847 18 783.100037 18 789.186523 17 803.123596 19 851.181946 18 879.137817 17 881.273315 18 918.221313 18 929.849792 19 940.286072 20 942.229187 22 949.285522 25 1029.223755 17 1065.339355 18 1128.283936 20 1146.255249 24.000002 1162.169189 22 1171.325317 20 1190.421753 21 END IONS BEGIN IONS FEATURE_ID=157 FEATURELIST_FEATURE_ID=Aligned feature list peak:157 MSLEVEL=2 RTINSECONDS=210.61 PEPMASS=224.05584 CHARGE=-1 FEATURE_MS1_HEIGHT=6.493E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8:987"] SCANS=157 Num peaks=249 50.103195 17 50.428513 26 50.483479 18 50.495171 17 54.050476 17 54.18903 35 54.837959 28 56.013813 211 56.053856 19 56.384109 17 57.556259 22 60.990864 18 61.022568 20 61.916714 27 61.98835 40 68.014229 45 68.797554 20 70.022263 20 70.066483 28 72.011353 45 72.462036 44 73.031136 59 74.024643 267 74.094505 19 75.928864 20 76.431274 24 77.039925 41 77.507645 22 79.019585 31 79.134338 22 82.027428 41 83.015175 39 84.006157 23 85.890282 18 86.022858 41 90.033478 61 90.446213 24 91.05423 20 91.115181 30 92.026634 43 93.033813 8610.21582 94.03759 613 94.145279 23 95.042969 30 95.053368 21 96.957146 17 98.574249 18 98.809074 20 98.851234 33 99.00808 20 99.022102 22 99.240173 21 100.003273 10380.290039 100.135002 21 100.184387 18 100.670753 25 101.006371 359.528046 102.006966 143 102.734879 37 104.034775 976 105.033012 175 105.585426 17 106.042976 51 107.037544 18 108.046181 248 109.031967 17 112.005318 46 115.062965 35 116.928886 33 118.029945 59 119.051155 122 120.020515 36 120.050568 118 120.36245 32 121.030159 438 121.070152 19 122.030746 37 123.050751 27 128.034988 42 129.016663 26 130.01474 367.716125 130.35672 19 131.014435 45.062737 131.038162 94.578423 132.045013 1229 133.027206 18 133.050064 66 134.056931 22 135.04538 2684.477539 135.139984 22 135.516678 20 136.043884 761.51416 136.118652 18 136.316925 18 137.025818 750.785767 137.052322 19 137.093475 24 137.56163 20 138.030441 76 138.815948 18 139.02803 56 141.095093 17 142.019653 18 142.098602 18 142.760117 17 146.055344 29 147.032532 156 148.041275 427 148.419052 18 149.023956 37 149.042664 18 150.055206 2703 150.410507 23 151.004745 22 151.058853 239.543701 151.47554 18 152.610138 44 152.893631 21 155.105255 17 159.667328 20 159.718491 20 160.040039 239 161.913193 24 161.937378 18 162.055511 11425.611328 163.06012 1385.558838 163.092621 19 163.90358 19 164.050232 47 164.066162 64 164.354309 31 165.088409 18 165.597275 19 166.047058 20 167.032532 23 167.482651 37 167.600708 19 168.035599 42 169.006363 18 170.940125 26 175.924774 20 176.03476 3223.869629 177.039001 637 177.903702 20 178.047684 437 178.5327 18 178.993317 24 179.061539 92 179.959381 19 180.067535 232 180.727966 18 181.069412 57 181.108246 55 182.111252 26 183.05809 18 193.987396 36 194.045776 3735.433594 195.048843 402 196.048874 56 196.617676 18 204.824615 20 206.043259 57 206.079468 20 208.481201 22 209.944931 17 223.064621 21 224.056076 3969.353516 225.060013 546.402344 225.085587 62 226.060654 129.287552 226.087341 19.859457 226.970016 18 227.021545 18 227.060974 20 229.072342 36 231.085403 22 232.274704 25 242.032806 22 252.317841 20 254.776672 25 255.241638 18 265.136505 18 268.57428 18 279.665802 17 287.971924 20 288.640869 20 294.341461 20 295.981171 17 300.652161 26 304.088287 18 311.161407 41 326.190887 18 332.158386 19 339.182251 17 339.204224 22 344.018005 19 358.873138 19 389.105469 21 389.944855 22 390.17038 23 411.994843 18 415.753235 18 419.191589 18 423.107544 18 433.767548 20 442.075562 22 442.109314 18 442.288849 35 462.15451 18 472.120148 18 493.225464 22 505.201965 22 509.055573 25 510.339966 18 517.236694 17 541.024292 20 543.335022 20 547.014221 24 547.151489 18 576.164917 18 625.301636 18 647.163452 20 688.49762 23 697.026917 18 697.101074 18 714.141296 25 716.524414 20 720.88739 20 771.178833 18 773.171936 26 784.988953 20 804.233521 18 805.490601 58 886.349487 23 923.355835 22 937.094116 25 955.591553 17 990.334229 17 999.288696 18 1001.530884 24 1001.756592 28.999998 1011.264282 22 1094.218262 22 1095.157227 20 1136.075073 20 1148.286621 31 1153.52832 18 1179.323364 18 1194.748535 18 END IONS BEGIN IONS FEATURE_ID=158 FEATURELIST_FEATURE_ID=Aligned feature list peak:158 MSLEVEL=2 RTINSECONDS=210.83 PEPMASS=194.04518 FEATURE_MS1_HEIGHT=7.94E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8:997"] SCANS=158 Num peaks=174 51.428989 18 54.413383 20 55.291557 18 57.168823 25 57.426304 18 59.298115 18 62.429752 19 70.622871 18 71.215103 21 74.025398 45 74.903648 37 76.100098 18 76.962395 18 76.971939 20 78.606102 26 78.955208 22 79.321182 18 79.956383 59 80.966141 25 83.927811 18 85.030449 20 88.985825 21 89.34552 18 89.668617 18 91.01741 27 92.411972 22 93.034973 223 97.571007 18 97.927795 18 98.156776 17 100.003792 142 101.006172 27 101.552353 38 103.82634 23 104.044838 20 105.781281 31 107.678658 18 108.04409 36 113.151382 21 115.919456 23 116.743721 25.000002 116.926208 24 117.768677 20 118.884224 18 118.930573 18 120.048988 21 123.042816 18 123.542053 17 126.007607 20 126.743721 25 128.033203 40 131.008026 17 135.01236 18 135.090332 27 140.466278 20 140.493683 20 142.110489 28 142.51355 18 144.58519 18 150.054993 40 150.704666 26 157.197006 28 159.889969 72 160.034332 20 161.006317 22 164.893616 22 167.053879 18 171.299637 34 173.518951 25 174.871964 18 176.894455 411 176.983719 18 177.359589 18 177.881836 17 177.898148 45 178.889206 105.136551 179.038681 35 181.003174 37.614574 183.534576 20 183.756256 20 186.372742 21 187.123596 20 191.0112 18 192.006317 18 192.945114 22 193.01355 17 193.084686 18 193.963608 22 194.046219 48 194.086258 60 194.904617 110 195.046936 20 195.907837 85 197.01915 22 197.047653 20 197.083008 40 213.048126 19 216.446869 23 222.817474 17 224.057129 115 224.706802 18 225.065262 64 227.062546 17 231.820862 18 248.22023 20 248.494446 17 257.756195 34 265.141571 29 278.612732 21 279.777496 17 282.092621 20 283.299164 19 288.654175 18 297.145386 24 301.197388 20 325.176178 17 325.976654 18 327.416901 20 343.225128 18 361.2966 23 363.226868 50 365.963989 18 381.291016 21 383.086029 18 387.0672 31 389.114807 35 397.223877 18 397.940033 18 417.107574 22 467.530304 19 472.265594 20 499.043121 18 506.215118 20 524.181519 18 565.577393 18 574.138489 18 625.289917 17 632.502319 17 707.25354 17 713.619019 22 729.129761 21 731.263184 23 737.906555 18 744.146423 18 805.778503 22 828.365173 17 842.337463 27 855.457825 21 890.154907 18 909.36438 18 925.090088 18 939.504272 28 985.182068 18 1018.549744 21 1023.194031 19 1053.162598 19 1070.324341 20 1089.823364 26 1101.00354 25 1103.263428 27 1107.206543 27 1124.141846 19 1124.215088 18 1126.691528 18 1156.724854 17 1157.709717 19 1173.022827 18 1176.749146 22 1183.5271 22 1183.701172 17 1184.392334 21.000002 1192.873413 18 1193.862793 23 1196.137817 17 END IONS BEGIN IONS FEATURE_ID=159 FEATURELIST_FEATURE_ID=Aligned feature list peak:159 MSLEVEL=2 RTINSECONDS=211.11 PEPMASS=323.98076 CHARGE=-1 FEATURE_MS1_HEIGHT=8.803E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8:926"] SCANS=159 Num peaks=213 62.90007 20 68.247215 18 79.019997 19 79.965759 20 84.009087 106 89.022575 37 93.034088 193 94.944954 18 95.950996 18 96.496758 23 96.946663 17 98.942223 18 99.892509 18 99.926041 187 100.933899 434.79129 101.933853 59 102.999741 55 103.240036 30 108.020554 49 109.932953 63 110.942055 18 111.934929 42 112.932167 55 112.983368 18 114.924515 21.394926 114.951012 96.005676 115.017876 18 115.949425 43 116.019684 18 116.928436 4427 116.970993 21 117.361282 21 117.927887 434 118.02803 181 118.131744 17 118.185394 19 118.92775 219 119.801277 28 121.028358 72 123.947739 18 124.543953 20 125.95369 20 127.043236 27 128.931961 19 131.039001 123 132.044662 74 133.043091 18 135.047516 17 136.038483 62 136.987335 18 137.027313 19 137.564163 18 141.944794 27 141.959366 90.678833 142.942917 315.688263 143.950775 24 144.923111 27 147.06958 22 147.210785 22 148.041138 319 149.020996 18 149.927063 17 150.053329 52 151.041336 85 154.027603 19 155.646027 18 156.922394 37 159.033661 20 160.038254 125 160.966766 84 162.053482 36 163.057968 43 164.03212 21 165.018112 18 167.101074 28 167.868683 18 167.938904 17 168.011444 35 168.924545 18 169.964096 44 170.006683 68 170.971298 18 171.928772 20 171.971786 18 175.884338 20 176.038895 39 176.240021 18 176.961487 19 177.958862 18 177.972809 18 178.054214 343.580475 179.056091 66 180.066132 24 181.965591 18 182.110626 20 182.970596 18 183.012543 780 183.832092 18 184.015579 123 185.016663 58 185.963394 98 186.93306 41 187.945786 19 187.969223 36 188.034058 20 188.966599 57 190.024094 18 192.026169 20 192.929794 17 192.954666 64 192.983719 27 194.039139 34 194.94606 18 195.044647 25 197.019348 25 197.958313 53 198.039108 17 199.980209 79 200.028198 18 201.958893 59 202.94632 18 203.975525 126 204.04361 21 204.954239 331.561401 205.017822 24 205.955948 46 210.036224 17 212.049973 18 213.960098 55 215.975418 162 216.957153 18 216.978058 18 217.915009 21 217.988922 18 219.949799 40 219.972046 86 220.960587 17 222.034409 17 224.056686 134 225.019073 52 225.059677 18 225.955093 37 227.120193 22 229.161591 25 231.942078 36 231.972626 177 232.973923 22 233.981583 161 234.972397 20 238.061035 23 239.076874 40 243.873581 24 243.969498 1376 244.97345 531 245.875534 19 245.97197 35 247.961349 27 249.086716 18 251.974152 17 257.947205 23 258.011932 19 258.954254 18 260.045319 23 260.966583 17 261.930908 24 261.979675 251.559998 262.983612 172.350006 263.98999 59 275.939362 24 275.959656 20 276.990814 18 277.9823 46 279.082001 20 279.469391 21 279.988373 40 280.038574 18 280.830261 18 280.991028 17 281.134155 18 281.256592 17 283.995209 18 287.965485 39 289.017242 18 304.056213 20 305.066437 64 305.9758 75 306.975037 72 321.693329 21 322.625 18 323.074371 18 323.125061 20 323.171539 36 323.203949 17 323.981842 336 324.166626 28 324.193329 44 324.987152 200 325.182739 3824.635254 325.240021 18 325.300323 18 325.324646 22 325.972076 18 326.186127 673 327.12085 22 327.184692 318 327.56015 24 329.880371 18 330.873474 18 338.008698 18 345.528503 18 369.673035 24 476.046631 21 870.004944 18 END IONS BEGIN IONS FEATURE_ID=160 FEATURELIST_FEATURE_ID=Aligned feature list peak:160 MSLEVEL=2 RTINSECONDS=213.02 PEPMASS=417.10312 CHARGE=-1 FEATURE_MS1_HEIGHT=1.371E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:1109"] SCANS=160 Num peaks=229 50.498665 52 55.017284 35 57.033596 24 59.014076 114 60.017361 17 60.75724 18 61.598408 17 61.983833 35 62.385342 20 64.477364 19 64.752823 20 69.040375 32 71.015091 168 72.013031 15.559612 72.021194 25.440388 73.101105 18 73.226089 18 74.02726 18 74.947212 18 75.861984 18 79.057251 17 80.396187 24 81.030907 72 83.012215 43 83.053261 23 83.964813 21 85.031204 106 86.427643 22 87.007744 73 88.551674 18 89.023361 541 90.024498 17 90.23172 48 91.052986 17 93.035484 17 93.324089 17 95.010254 20 95.453354 18 97.029015 120 99.009384 22 99.043915 442 99.135078 34 99.887154 22 100.04921 17 101.023796 763 105.055374 18 107.033493 22 107.050598 108 111.04409 159 111.07196 22 111.152023 31 113.023788 241 113.057632 18 114.055626 26 115.003822 22 116.274734 18 119.03463 699 119.055862 63 120.01725 23 121.027817 266 121.064529 18 121.792854 18 122.036308 114 123.043106 43 124.04789 21 125.025375 61 125.058624 18 129.438797 18 129.687927 20 131.032471 41 131.362411 17 135.027435 98 135.044937 160 135.380096 18 136.051315 63 136.992233 39 137.059387 812 137.230881 18 137.557007 28 138.011215 20 138.064758 138 138.988922 18 139.040665 674 139.076935 18 140.009705 41 140.03978 79 140.072342 54 141.019852 125 143.035172 44 144.039551 22 145.144348 18 147.031067 70 147.044617 170.542389 148.041641 21 149.042557 59 150.038071 65 151.764557 17 152.625565 18 153.055328 148 156.966385 24 158.888168 20 161.051468 89 162.056015 24 162.682892 18 165.054504 1449 166.056366 158 166.3806 18 167.837341 21 171.009399 20 175.022903 24 179.053543 243 180.057358 17 181.362717 20 182.248001 20 183.066223 1096 184.06691 188 185.58165 32 187.026733 20.999998 187.102097 39 188.106659 22 190.054306 22 191.029556 65 191.285828 17 193.041321 18 197.078873 20 206.044724 19 207.057251 40 208.047485 23 208.995316 18 209.01442 18 209.046539 972 210.049118 218 210.122086 72 211.095428 20 212.696487 18 217.923294 20 219.057526 18 221.864822 22 224.209686 20 226.412827 18 227.030334 37 227.05397 627 228.055161 80 229.109268 24 235.765045 19 237.030396 21 241.088791 18 242.174911 28 242.881577 19 252.131149 22 253.915527 20 254.115463 35 255.050674 18 265.140594 17 269.025604 18 276.503571 20 276.99231 21 277.014893 25 277.974945 18 279.17392 18 281.248444 18 282.151672 22 282.860443 18 285.067993 18 288.007202 51 289.103058 23 289.580292 18 290.098755 24 291.290405 18 299.129089 24 299.392334 20 311.075195 18 323.958405 24 324.955536 20 326.127808 19.999998 330.075134 21 336.438995 22 337.974762 18 339.852539 18 351.123932 24 357.883118 18 361.182495 24 365.958374 18 371.10141 18 373.001251 18 382.008667 19 382.261322 39 389.10968 863 390.111847 210 391.111267 52 392.126587 27 394.273346 18 400.879913 18 405.873566 20 416.084381 18 417.015045 18 417.10437 1511.704712 417.210144 39 418.105682 208 418.155518 36 419.096222 100.367027 419.4758 27 420.164368 18 458.0224 22 463.196991 18 471.093292 18 482.515167 19 532.15033 35 534.009583 18 546.551636 40 555.338562 20 573.13385 20 602.315063 21 613.377808 18 615.205322 20 675.270142 18 683.278442 18 690.301331 20 696.198792 21 735.5 18 739.186401 18 835.217468 25 837.252869 17 847.232361 18 919.98407 18 1157.213135 24 1193.635376 20 1194.17334 27 1195.251831 18 END IONS BEGIN IONS FEATURE_ID=161 FEATURELIST_FEATURE_ID=Aligned feature list peak:161 MSLEVEL=2 RTINSECONDS=217.96 PEPMASS=243.05041 FEATURE_MS1_HEIGHT=1.269E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8:1107"] SCANS=161 Num peaks=214 50.164635 18 52.256153 20 55.559036 17 57.032593 23 58.121704 18 59.00885 19 59.020329 17 60.681339 17 61.379292 18 64.580048 18 64.702759 19 66.033249 18 66.370544 41 67.017052 53 68.838654 18 68.996162 60 69.034027 325 71.012726 18 76.353897 18 77.034943 47 79.055252 121 81.024933 98 81.033051 223.570801 81.10154 30 81.902321 20 83.04023 23.076469 83.048401 16.923531 83.734627 32 83.937119 34 84.019615 59 85.020073 18 87.00441 18 88.637405 18 91.054504 713 92.057899 58 93.033646 334 93.071564 38 95.048546 177 96.004044 18 97.028595 65 97.065353 150 97.395004 18 97.930733 30 97.979424 18 98.059715 18 99.010216 49 99.044357 98 99.924629 287 100.924667 37 101.46891 26 101.927498 36 102.936768 21 103.923073 19 105.035805 23 107.049423 600 107.301613 20 108.04995 58 109.02108 18 109.064896 944 110.067101 105 111.044197 228 111.323868 26 111.928398 29 111.960434 79 112.96434 18 114.057709 43 116.025002 17 117.034721 18 117.338699 20 119.049721 1129 120.043762 38.623951 120.053917 25 122.034599 57 123.039879 115 124.044456 18 125.022568 18 125.060226 1103 125.545105 23 126.063004 91 126.977203 19 127.076332 46 127.959198 178 128.036011 24 128.962677 18 129.018036 18 129.064072 17 130.483551 19 131.071411 24 134.895798 17 135.047394 98 136.051575 19 137.024872 18 137.060272 1734 137.938293 73 138.025772 41 138.061417 99 140.081253 18 140.229233 23 143.024811 23 144.055557 20 149.910812 45 151.036102 42 153.058319 80 153.953293 30 154.92395 26 154.944077 47 155.032898 281.718231 155.06897 209.923813 155.910812 18 155.950958 738 156.001938 24 156.03714 20 156.922562 45 156.951431 166 157.803726 17 157.953125 69 157.971924 25 158.221497 18 159.986679 28 162.058411 19 169.0495 104 171.067886 35 177.377472 18 179.040848 61 181.049622 209 181.093552 19 181.960648 17 183.063477 27 184.577148 17 184.915344 18 193.045471 18 195.902451 23 195.989136 18 196.574432 32 198.576691 26 198.904694 18 198.951889 36 199.060165 4481.133789 200.063812 487.138062 201.065765 86 201.698624 18 203.198868 17 208.042435 18 216.458969 20 223.918625 20 224.862 18 225.036133 72 226.048904 19 227.051056 44 229.052246 20 239.191544 17 242.145157 19 243.049881 1535 243.087204 38.482571 243.971436 18 244.054672 88 244.155426 19 244.698776 18 245.048187 45 251.103134 19 254.957565 20 256.930786 18 257.366699 17 280.765869 17 289.623688 22 297.421234 28 298.713501 27 301.966949 20 319.04718 18 325.208466 18 328.641754 19 338.136902 17 367.986938 18 382.439911 24 386.047485 21 421.327759 25 424.176849 18 428.953705 30 458.155243 24 470.149689 27 477.541718 20 478.197723 20 486.81543 18 491.742004 20 496.048401 30 510.274872 17 514.391785 29 517.017639 18 525.153687 18 537.012329 22 549.614258 17 551.326843 18 551.490051 17 574.044067 60 578.898071 17 612.098633 17 640.116638 23 695.134888 18 715.629822 20 722.162842 19 744.269104 34 748.116028 18 816.966187 18 884.430176 18 945.587341 18 966.285522 18 989.099426 31 1026.643311 24 1054.891357 19 1062.310913 22 1134.692017 20 1142.262329 39 1183.980835 28 1185.347046 18 END IONS BEGIN IONS FEATURE_ID=162 FEATURELIST_FEATURE_ID=Aligned feature list peak:162 MSLEVEL=2 RTINSECONDS=218.57 PEPMASS=265.08267 CHARGE=-1 FEATURE_MS1_HEIGHT=1.689E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8:973"] SCANS=162 Num peaks=186 52.030853 18 55.265957 21 57.504745 17 61.662907 20 62.211891 18 67.029907 18 71.527206 18 75.220413 22 81.166565 18 82.011734 18 82.031166 38 82.524002 18 83.657845 17 84.04361 48 84.235542 22 85.030205 20 86.436096 22 87.808769 28 89.735222 20 93.033821 3848 93.077797 18 93.674629 17 93.703857 18 93.936684 37 94.038139 252 94.379738 24 95.730568 28 96.206154 33 96.605415 36 96.959618 451 97.012375 18 98.028748 18 98.198357 19 99.055595 23 99.552841 78 99.924263 18 100.931541 22 101.070778 190 107.046402 20 107.86795 28 108.357979 20 109.040771 139 109.358887 20 110.042824 18 116.933174 31 117.923889 27 118.030731 237 119.03067 20 120.022255 27 120.045547 60 125.034821 18 125.191719 18 127.05085 1361.821045 128.035675 1273.819336 128.057556 84.379402 128.642792 18 129.037338 145.457779 129.678009 18 129.977661 27 130.036011 18 131.044998 20 131.936401 34 132.048141 18 132.365005 18 133.067352 18 135.891556 19 135.936859 28 136.03978 574 137.028183 96.041267 137.044418 135.95874 138.027863 66 143.052048 20 143.922272 19 144.923721 18 145.061905 3139 145.181747 22 145.375458 22 145.800095 26 145.91301 18 146.063614 179 146.88208 22 146.902008 39 147.497116 21 148.059891 18 148.509521 20 148.894363 17 153.031693 102 154.036774 17 158.012756 19 160.075058 63 161.267944 17 161.891464 25 162.035416 18 162.05545 59 164.03804 23 166.060089 17 168.7332 22 170.428192 18 171.040726 437 171.06694 20 172.038544 23 173.003784 28 174.949249 107 176.021805 53 176.071808 46 176.924774 44 177.020447 20 178.094055 39 186.053696 32 189.905472 24 203.082611 349.900208 204.061768 20 204.083832 69 207.903793 28 210.622177 21 217.529388 18 217.857239 21 218.860474 25 219.868042 24 220.061798 37 221.092392 366 221.852707 18 222.096008 38 224.875793 23 228.938736 31 232.044678 31 232.07338 18 237.876816 17 239.878174 22 240.725021 18 246.01088 26 247.072159 1214 248.072693 114.876976 249.080307 23 250.096558 18 264.095154 24 264.505493 21 264.905914 19 265.037018 25 265.082214 1386 265.148773 726.254028 265.960693 22 266.087067 192 266.152985 176 267.054291 18 267.086456 45 267.141571 74 268.410675 18 268.897949 30 269.884918 17 273.011169 22 274.159912 18 276.811401 20 285.26474 18 291.659546 17 295.508057 24 306.390686 23 327.328552 23 339.609314 17 340.414215 17 346.584747 25 358.877441 18 358.962677 18 365.012451 17 366.007538 19 369.802307 19 411.661926 29 412.069092 18 413.719727 18 443.085358 18 474.018036 18 488.002258 18 520.241943 17 532.987732 18 595.821655 25 596.836853 18 622.213684 18 628.633728 20 793.532715 18 802.286255 19 863.90332 40 926.625122 19 1047.55249 18 1081.188965 25 1088.86853 18 1195.174561 18 END IONS BEGIN IONS FEATURE_ID=163 FEATURELIST_FEATURE_ID=Aligned feature list peak:163 MSLEVEL=2 RTINSECONDS=221.28 PEPMASS=199.06057 FEATURE_MS1_HEIGHT=5.792E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8:1165"] SCANS=163 Num peaks=189 52.781643 20 53.46273 22 53.96962 19 54.739597 20 56.166317 18 57.086098 36 60.434158 21 63.039223 26 63.589512 21 63.618351 18 67.015846 20 69.035248 81 69.621803 20 73.679688 21 74.062164 20 78.816666 18 79.956055 18 80.346931 18 80.965195 17 80.977936 28 81.035179 71 82.035538 19 82.65377 20 83.05085 61 83.586731 17 83.618652 22 84.015076 17 86.273956 20 89.026817 22 91.054825 18 93.033531 64 94.035835 20 95.050034 44 97.063652 44 97.932251 31 97.943924 17 98.194847 21 98.601509 20 99.00705 35 99.041183 19 99.92627 39 100.047447 22 101.182167 20 101.849052 17 102.030891 19 105.016663 18 106.037689 24 106.880585 22 107.048309 181 108.051964 24 109.066093 87 109.345528 18 110.042023 20 110.95388 19 111.046455 100 111.628532 32 111.961601 22 112.000252 18 112.948929 22 114.934807 23 116.932823 60.999996 119.049438 350 120.266434 18 120.621422 27 122.039368 29 125.056732 105 125.428833 20 127.072922 42 129.038315 40 130.523865 27 133.048523 44 136.095963 22 136.725494 38 136.970474 20 137.061783 256 137.124344 19 138.060089 25 139.064194 23.365332 139.076248 17.634668 140.046417 21 141.971817 22 142.751343 24 142.988892 26 147.487869 19 148.418243 18 154.761368 25 155.033936 21 155.953873 118 156.006699 20 156.183197 18 157.567169 18 157.973404 54 160.038574 20 161.895004 24 163.042664 23 169.005112 18 169.020996 59.308117 171.043182 18 172.03772 19 172.236023 20 180.041229 18 184.507233 18 185.897827 20 186.250488 25 194.075089 17 194.19278 21 199.022141 18 199.062424 316 199.105713 35 199.17453 30 200.063416 18 201.141891 19 215.173431 31 223.49675 18 231.327057 20 232.912186 17 240.875381 41 243.04985 18 243.389084 20 250.124908 33 252.152313 17 253.237808 26 261.619659 23 264.239868 18 267.071289 18 271.580902 17 275.055542 23 276.287659 19 289.31842 17 293.571381 20 297.21225 20 299.889465 20 306.649658 19 309.716675 18 310.912445 18 330.074188 24 334.081635 18 347.339386 22 356.127075 22 373.594177 18 378.110992 24 397.821655 21 429.95697 17 430.029999 19 466.386047 23 468.869568 25 471.125214 35 487.011322 22 516.144897 17 528.189209 32 535.099243 18 543.138489 37 553.279907 22 556.048706 26 568.211365 20 597.294434 23 598.302612 30 600.187805 18 613.392456 18 624.200012 20 651.019897 28 659.214966 18 659.69165 28 687.245056 21 708.212158 26 717.260437 33 742.157471 22 758.50531 25 786.523804 20 788.154541 18 798.523193 18 803.283813 21 837.253235 18 879.13501 21 893.305481 24 911.071411 17 913.140076 22 924.230591 17 972.155334 17 976.124512 18 992.831909 28 1000.588318 28 1021.765198 18 1066.372192 25 1070.334961 22 1098.127563 20 1118.180054 19 1177.810791 20 1199.11438 25 END IONS BEGIN IONS FEATURE_ID=164 FEATURELIST_FEATURE_ID=Aligned feature list peak:164 MSLEVEL=2 RTINSECONDS=222.20 PEPMASS=356.13475 CHARGE=-1 FEATURE_MS1_HEIGHT=4.351E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8:1016"] SCANS=164 Num peaks=168 58.029041 139 59.009556 31 62.252342 17 66.170479 17 69.366867 17 70.200104 20 71.177979 21 76.516998 40 79.055748 18 81.030907 22 85.576714 20 87.003426 33 87.964081 20 88.988853 17 93.0382 18 94.040276 25 94.747169 18 95.015442 26 95.046524 27 96.927574 20 99.925034 20 104.231674 18 105.958679 20 106.001144 18 107.051468 104 108.019791 22 109.029068 18 116.929909 22 120.815552 20 121.2631 19 122.037148 562.930664 123.045631 6426.418945 123.680893 20 124.046898 432 124.278763 17 125.049843 82 127.923592 21 134.865112 18 135.029938 115.568161 135.047226 515.431824 136.050018 113 137.246658 18 137.827148 21 139.069382 18 144.356628 20 145.29631 19 145.415222 18 149.65596 17 151.037109 20 152.072449 118 152.89035 21 155.999039 24 162.899979 19 164.907867 18 169.968536 20 174.160538 19 175.022308 20 178.039673 24 181.435272 25 186.445953 20 191.295975 30 191.520386 28 192.068527 18 192.209717 20 193.072739 20 193.241669 18 193.679611 35 193.789062 18 194.017929 17 194.051132 19 194.082474 61033.902344 194.146561 820.514587 194.223312 20 194.33136 37 194.490189 18 194.623367 25 194.825241 20 194.90065 19 194.947205 38 194.988373 25 195.022675 18 195.085419 8356.876953 195.51033 18 195.607208 40 195.668961 27 195.943207 20 196.03656 20 196.087418 922 196.16008 20 196.228287 18 196.482727 21 196.726944 18 196.959213 35 196.975876 17.151686 197.087143 71 197.270981 21 198.359482 26 199.03212 24 200.128937 22 200.539597 17 201.125763 18 201.192993 20 201.938049 19 215.899811 19 216.195435 18 217.70665 18 222.609818 18 227.025421 17 229.956787 28 230.598907 26 234.679688 18 245.415146 20 245.87204 22 273.550568 18 275.431854 22 278.225555 23 279.163452 20 280.775146 23 285.602325 17 287.066376 18 301.187439 19 302.041199 25 305.953979 29 311.025696 19 313.079407 28 315.022339 19 317.053802 20 341.449127 20 354.946289 18 356.135803 2101 356.206329 20 357.138855 548 358.140869 75 367.339966 18 380.72995 24 383.550995 24 419.114563 37 419.138275 21 420.896271 18 436.514526 18 456.070282 22 465.412476 20 489.965668 18 497.681427 28 525.66626 18 533.687561 18 575.666199 35 583.417542 21 588.119995 17 640.593994 27 653.647644 20 670.908264 18 696.351868 17 720.555481 17 727.533264 18 766.19281 18 774.103394 17 790.073669 17 871.665283 20 898.60321 34 954.726746 18 961.418884 30 1004.524048 18 1079.947754 20 1082.27832 22 1137.221069 17 1172.764771 25 1196.224487 40 END IONS BEGIN IONS FEATURE_ID=165 FEATURELIST_FEATURE_ID=Aligned feature list peak:165 MSLEVEL=2 RTINSECONDS=222.24 PEPMASS=419.12985 CHARGE=-1 FEATURE_MS1_HEIGHT=2.776E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8:1011"] SCANS=165 Num peaks=158 50.70639 18 55.54924 33 55.694775 18 56.360935 18 61.888306 18 61.98764 6176.605469 62.20657 18 62.676361 22 62.825844 17 62.930687 18 62.98394 36 63.461662 21 63.990223 38 64.90007 18 65.879036 19 67.834602 18 68.400017 34 70.535515 21 71.801315 19 72.133873 20 72.287834 17 75.932701 18 78.960121 24 83.361259 18 86.564819 17 93.0345 22 93.66584 18 104.654358 21 116.93486 18 117.926636 18 119.286766 21 121.995453 20 122.037148 18 123.045517 219.45755 123.62822 32 125.997887 18 131.752808 25 135.03186 25 136.458389 29 137.633316 26 145.590332 18 146.586258 18 149.886627 18 151.429153 18 151.882339 23 152.073318 18 161.987991 33 164.358902 17 166.053818 18 177.926666 24 181.051086 28 186.294983 27 192.859009 22 193.695618 18 194.08194 4415.741699 194.709915 17 195.084381 433 196.082947 125 210.07283 18 223.109253 18 226.83313 18 236.088669 19 237.869705 18 241.037506 34 251.843323 23 255.22522 20 256.538391 21 260.842957 19 266.816589 25 267.072113 18 268.071228 18 278.272308 23 281.251282 20 299.991058 18 307.425415 18 322.723907 25 329.149963 28 331.522827 19 341.295929 20 350.333893 21 352.062561 25 356.134155 1023 356.203278 23 357.139435 381 357.572937 17 358.136108 18 364.11319 23 382.091187 17 384.129761 38 419.129211 642 420.130951 103 421.134888 37 424.014282 20 435.241791 18 436.738068 23 441.24231 22 450.015594 18 453.206268 18 461.474762 19 477.075104 18 494.1185 18 496.463928 23 504.725372 18 520.25238 21 524.196472 18 572.022949 22 579.207275 25 584.965576 25 635.933533 17 652.343384 34 714.27478 19 715.510803 18 721.253967 21 743.56311 18 758.08374 21 766.167297 35 767.186035 19 784.106506 17 789.172302 24 804.298157 18 808.950867 18 816.29126 18 820.126465 22 827.189026 19 843.209351 26 852.442932 18 853.300293 18 866.159241 18 871.075012 19 881.319336 20 886.209656 24 888.154968 17 895.028564 17 920.093567 30 936.223999 18 956.446289 18 966.052917 22 990.127197 18 1002.227722 18 1005.332336 18 1006.657715 19 1045.984497 20 1049.163696 18 1051.144409 18 1066.562012 25 1106.39624 18 1109.135132 22 1119.692871 19 1121.023682 36 1135.236206 18 1135.310913 27 1140.158936 23 1152.476807 20.000002 1170.548828 30 1179.888184 17 1184.989868 18 1188.467407 17 1189.507935 22 END IONS BEGIN IONS FEATURE_ID=166 FEATURELIST_FEATURE_ID=Aligned feature list peak:166 MSLEVEL=2 RTINSECONDS=222.34 PEPMASS=194.08205 FEATURE_MS1_HEIGHT=6.517E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8:1024"] SCANS=166 Num peaks=167 50.018051 18 50.571709 18 53.407818 20 53.631516 21 55.633156 22 56.009357 18 56.730076 18 57.756771 19 59.193344 19 63.938427 20 64.355965 21 67.033615 20 67.055328 17 68.229416 20 70.115952 23 70.167038 33 74.022644 26 79.958229 17 80.776848 20 80.962448 17 83.011963 26 84.969536 18 85.333916 24 86.969757 18 87.00502 29 88.702606 24 90.518127 20 92.527008 30 94.979416 28 96.445717 19 96.548965 20 97.069725 25 100.698563 17 102.847176 28 104.510422 22 112.592072 21 112.673485 20 114.106522 22 114.158119 20 116.931419 44 120.308815 18 121.906013 20 122.036041 41 122.112617 22 122.753319 19 123.046021 439 124.050278 18 128.57135 20 128.590912 20 129.513107 25 135.009872 18 135.046753 18 135.812378 26 136.00972 18 136.387146 18 137.954941 18 138.323135 19 138.397293 18 141.014175 55 142.274918 18 148.259659 17 148.820648 18 148.901306 20 148.985764 29 150.226257 61 150.549271 21 152.476898 18 156.39505 18 159.889511 90.997963 159.903168 69.002037 160.148438 25 160.890259 27 162.264496 43 162.302811 21 163.394272 22 164.896622 18 165.913132 20 167.630768 25 172.596313 18 175.887421 17 176.898987 51 177.905487 19 178.060074 80 178.4505 22 178.888733 43 179.488937 20 179.89856 21 179.991959 19 181.007675 64 182.731567 27 188.173203 21 191.5121 18 193.026672 31 193.056259 30.309723 193.070999 36 193.091995 17 193.165543 17 194.081833 277 195.084412 81 195.284241 19 196.289047 23 196.719345 17 196.9021 17 197.091278 21 202.055359 18 203.032303 20 220.284409 20 222.376907 33 223.090469 27 224.746292 19 224.846634 19 230.146301 31 233.027054 20 249.244705 17 261.048767 18 261.340271 18 263.11557 26 297.467499 22 299.876862 21 306.200745 42 321.540466 23 324.659546 18 326.135651 26 326.455597 18 328.891357 20 330.855621 18 331.408478 17 336.516693 49 355.534027 18 356.721313 20 357.127106 17 365.639618 19 384.69812 19 385.133362 22 409.378784 21 419.138 35 420.147797 17 434.391602 20 436.067474 25.999998 475.603455 21 491.802734 18 492.191345 17 535.15155 39 539.882141 17 557.129456 21 604.120239 22 612.179199 25 635.073975 21 636.087158 19 654.799438 23 767.149475 18 803.241516 20 807.74469 21 813.733826 20 892.285645 18 908.56134 20 1010.181152 26 1041.625244 47 1044.222534 18 1067.972168 18 1071.298828 20 1073.274902 17 1099.198364 20 1125.174072 18 1143.076538 18 1182.755859 23 1192.873047 67 END IONS BEGIN IONS FEATURE_ID=167 FEATURELIST_FEATURE_ID=Aligned feature list peak:167 MSLEVEL=2 RTINSECONDS=224.26 PEPMASS=535.1535 CHARGE=-1 FEATURE_MS1_HEIGHT=1.919E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8:1108"] SCANS=167 Num peaks=207 50.169945 18 52.288799 26 67.108971 20 67.874275 21 69.190437 19 69.529366 48 71.583153 36 71.863625 37 73.052872 22 74.092598 18 76.318909 18 76.401901 18 78.474464 18 80.023804 40 80.475189 20 81.587471 22 83.41349 17 83.525108 24 85.48465 64 90.30571 21 92.02433 110 93.016899 22 94.097168 21 94.229584 18 99.224861 25 99.23941 18 101.018372 18 101.639061 28 102.073738 21 103.024734 18 103.987228 18 104.222397 17 108.020134 225 109.02356 37 111.861511 19 113.996765 20 117.551369 24 120.244919 18 124.75238 34 127.712769 30 128.335907 18 129.927307 24 131.703323 20 132.397369 20 133.011124 18 133.448547 20 133.887726 29 134.055405 19 134.157425 20 135.000793 18 135.030609 12198.292969 135.074829 20 135.408173 18 135.455048 18 135.691727 18 136.032974 836 136.080811 25 136.368301 22 136.464249 20 136.991135 38 137.019516 22 137.036652 79 137.40834 18 137.998947 18 138.499008 18 140.108063 18 140.325119 20 141.926788 45 142.062683 20 147.031952 41 152.853271 18 152.997986 62 153.997757 36 155.205887 24 157.960037 54 159.07988 23 160.983246 21 170.057419 19 171.676544 18 172.381134 24 177.023987 20 177.042374 35 179.053329 19 180.074112 20 181.013458 22 183.36261 20 187.509186 18 197.178589 20 198.003769 24 198.071823 18 198.43129 17 199.79541 18 199.862 24 200.563202 18 201.033936 20 214.609558 18 215.644821 17 217.183228 19 220.390991 27 223.426788 31 224.953201 18 225.085358 20 230.642441 18 238.003723 18 238.311737 24 238.37117 21 239.296555 19 240.195847 33 244.075394 22 250.476257 18 250.851227 18 254.950897 26 256.003998 29 258.166321 22 263.071472 18 263.113739 18 263.16095 20 263.469635 17 265.090607 18 265.144714 20 265.195282 18 265.756256 26 266.147797 36 266.808868 18 266.869141 18 267.035858 60 267.072968 54940 267.148285 662.50647 267.177979 32.082981 267.601105 18 267.7854 18 267.858063 19 268.075378 9109.817383 268.173584 18 268.329895 18 268.527771 17 268.928741 22 268.946136 18 269.015991 18 269.077881 846 269.136902 18 269.807159 18 270.076233 21 270.178528 18 270.474152 18 271.547455 20 271.85318 20 272.267639 21 274.472504 19 284.473511 19 284.80777 22 286.641541 26 292.441864 32 297.175262 19 307.479797 22 323.337494 27 326.373444 18 328.026184 17 330.069885 27 343.859711 17 346.99881 18 348.550049 20 364.089905 20 377.921478 20 379.057556 22 393.540741 23 411.913391 20 434.236877 18 435.251556 60 451.18396 18 471.183655 19 473.195343 19 474.239624 18 474.926514 19 483.714691 20 483.781494 18 508.41748 23 533.226868 26 534.113708 17 534.304871 18 535.153442 592 535.294312 99 536.151367 55 537.091187 18 537.166504 31 598.158997 36 616.075806 18 628.766663 18 635.036133 39 635.098755 17 636.289673 37 637.623962 18 654.710693 18 656.53064 22 716.949585 18 805.228027 20 826.23645 19 839.219421 25 859.170532 21 862.18811 18 959.270142 21 985.257324 18 1059.875488 18 1071.315308 42 1095.369263 17 1122.589111 18 1124.202515 18 END IONS BEGIN IONS FEATURE_ID=168 FEATURELIST_FEATURE_ID=Aligned feature list peak:168 MSLEVEL=2 RTINSECONDS=224.28 PEPMASS=267.07287 CHARGE=-1 FEATURE_MS1_HEIGHT=8.173E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8:1103"] SCANS=168 Num peaks=248 50.079121 21 50.571011 18 51.546471 21 52.216286 23 59.914104 22 59.982227 23 65.013168 23 65.999062 87 66.952011 19 67.713921 18 69.26667 25 70.816612 22 71.01619 18 72.609924 18 72.706619 18 73.937302 32 75.927307 28 76.621307 18 78.602478 26 79.029007 36 80.025269 45 83.786758 21 86.396057 20 87.005714 18 89.023636 18 90.670502 21 91.657829 18 92.024666 1676 93.026711 151 94.563255 21 96.957123 56 97.883354 20 99.045021 28 104.165359 27 105.755318 21 106.028069 52 106.043671 48.364159 107.027374 18 107.781517 17 108.020325 2198.919922 108.328148 18 108.960007 18 109.024803 179.828079 111.064728 20 111.458313 22 116.051567 22 119.034386 42 119.557808 18 122.488632 18 123.676842 20 123.827248 21 124.559319 18 129.130768 18 129.84166 22 131.073517 18 133.142822 18 133.36319 17 133.422272 20 133.530121 23 134.028229 176 134.085175 18 134.935135 18 134.998657 19 135.031128 64633.648438 135.058105 39 135.083893 972.612915 135.135117 23 135.1577 41 135.19516 18 135.347153 35 135.367462 19 135.403824 17 135.51091 20 135.563766 25 135.655853 18 135.68454 18 135.815887 18 136.033829 5356.229492 136.069382 18 136.119507 18 136.23291 31 136.263504 18 136.493546 18 136.794098 18 136.827942 18 136.847717 18 137.036682 291.151733 137.214264 18 137.383575 22 137.434692 35 137.658051 17 137.674835 19 137.905731 20 138.030212 20 139.50441 18 139.633133 18 141.083878 18 142.228714 18 143.06723 19 144.545059 19 145.915359 24 147.034378 20 148.023209 31 148.556 24 149.045914 418.578857 149.276764 51 150.053986 63 150.50531 19 159.034042 18 159.391479 20 159.898636 21 160.781464 31 161.894608 17 164.000946 26 166.051437 20 166.737762 19 167.076584 21 171.272049 20 171.787506 18 173.715729 18 173.963837 18 177.040924 311 177.068695 18 177.126709 17 177.904709 28 178.041199 18 179.051178 18 179.072571 19 179.142975 20 180.395233 18 181.017609 25 181.034103 20 184.579285 21 185.45195 18 187.060364 18 187.633072 19 189.905533 18 190.60881 18 191.167465 22 192.460983 26 192.859238 22 194.082016 19 195.932648 22 197.393204 18 200.773636 22 201.040634 20 201.945389 22 202.045425 18 202.942886 20 205.258087 33 206.842468 22 207.872818 18 210.037048 30 213.045151 20 216.538498 18 220.85675 41 222.858398 56 223.161682 18 224.342178 39 224.866028 41 225.093231 27 228.480911 19 230.924896 20 231.052795 42 234.695435 17 238.861389 21 240.088257 30 240.843033 24 240.879776 18 243.777542 17 249.06369 82 250.14386 18 251.90126 19 252.425079 18 256.661316 43 258.919708 18 263.326752 24 266.143585 97 266.232788 18 266.435303 39 266.756439 20 267.016144 18 267.073822 22488.408203 267.149139 253.002014 267.182312 18 267.343628 20 267.40802 22 267.833008 20 267.919403 18 268.021851 24 268.075928 3837.410889 269.075775 428 270.125458 18 271.602814 18 271.881744 20 272.990997 18 273.60257 18 273.698395 17 279.388702 20 281.634094 23 284.54129 22 284.787262 19 286.48053 23 291.250946 19 292.838654 19 294.839966 18 304.973785 48 309.836487 22 316.359711 33 320.02771 19 328.950592 19 329.511536 18 331.585938 21 334.391205 18 338.0159 19 347.384308 20 359.707336 24 367.052917 26 410.13028 20 425.102356 18 437.327393 17 441.548615 23 459.410217 22 467.002289 20 487.10907 18 498.806702 18 504.599823 22 535.160278 40 539.484741 18 543.150452 18 550.257629 20 558.129639 22 566.815125 20 572.123535 18 601.955322 26 605.030823 29 635.243835 18 637.46936 17 790.362 22 803.220032 42 828.167358 20 848.344971 38 867.210754 19 941.405762 18 1073.862305 26 1107.268799 25 1110.805664 19 1177.256226 18 END IONS BEGIN IONS FEATURE_ID=169 FEATURELIST_FEATURE_ID=Aligned feature list peak:169 MSLEVEL=2 RTINSECONDS=226.22 PEPMASS=460.09419 FEATURE_MS1_HEIGHT=1.178E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8:946"] SCANS=169 Num peaks=147 52.512394 29 55.197353 18 58.043076 20 59.757988 23 61.886314 20 61.987827 1100 62.002796 17 62.289864 20 62.653812 26 62.987907 20 67.933754 25 69.009651 17 69.765862 17 72.564987 18 89.020943 28 92.920029 22 106.599045 24 111.382065 17 113.826721 22 115.53759 19 123.379654 20 126.450714 39 127.050949 18 129.804825 18 135.030487 21 136.986221 37 145.921112 18 146.969559 58 148.155136 18 148.48082 23 156.3638 18 156.801178 19 159.438782 30 163.500687 23 164.104813 25 166.051056 20 170.101944 18 191.028854 20 192.847549 18 198.968811 18 203.682541 21 205.047882 18 207.11203 19 211.28743 18 211.588226 18 219.919861 27 221.1483 18 221.920013 17 222.868408 27 230.846436 18 234.957626 20 243.931717 58 247.000824 18 256.311798 18 262.89566 18 265.155762 20 269.857574 22 272.865692 24 274.304718 19 278.339905 18 286.859924 18 287.57785 18 293.298096 17 298.804443 20 299.756989 18 304.03125 19 306.99588 17 310.965271 18 311.895721 18 319.924377 20 323.816132 18 323.911163 20 326.186829 49 327.809753 17 329.03009 18 331.891876 20 331.970459 18 339.188782 23 340.198059 20 345.200867 21 346.857544 19 358.115387 18 367.000305 29 368.972351 20 382.941589 24 396.96991 18 398.682037 20 405.069 25 414.043274 20 415.038147 28 430.483643 21 434.135437 20 443.1073 20 443.241669 30 450.414368 18 451.308258 21 453.993195 22 454.090424 18 459.321838 43 460.094727 257 460.344818 20 461.098083 57 461.264435 20 464.022552 18 467.859406 19 526.500916 18 532.084839 25 554.668823 18 564.143982 20 576.156433 20 593.253845 17 595.299133 35 597.297485 127 598.307373 19 599.33374 18 625.782043 18 628.018677 26 643.015564 18 662.069031 18 707.540833 20 715.350647 20 735.528748 20 742.222473 23 747.9823 23 751.096985 18 755.198853 17 757.255127 26 799.53418 20 807.273132 24 837.445862 30 842.170776 20 871.859314 18 900.096863 38 954.382446 32 996.169006 17 996.223511 17 1009.609497 35 1062.531616 18 1072.088257 18 1083.68689 18 1100.668213 28 1131.653809 18 1136.355103 20 1139.400146 18 1146.49939 17 1154.645996 23 1163.483276 20 END IONS BEGIN IONS FEATURE_ID=170 FEATURELIST_FEATURE_ID=Aligned feature list peak:170 MSLEVEL=2 RTINSECONDS=227.70 PEPMASS=597.30363 CHARGE=-1 FEATURE_MS1_HEIGHT=1.957E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8:1121"] SCANS=170 Num peaks=148 54.517857 19 55.225853 20 59.174103 18 59.37405 18 68.015732 30 69.482483 20 71.077545 21 71.487839 17 72.069336 17 75.290565 30 78.957619 157 82.683586 18 91.358887 20 92.599815 20 92.705559 18 96.968956 43 97.057922 22 98.240517 17 98.7612 17 99.044327 22 100.17984 17 105.661743 17 112.983727 18 113.872368 20 119.321846 65 122.114471 19 136.99617 20 141.013733 18 144.257065 36 145.937851 18 146.965652 18 150.756607 20 152.708649 18 152.99559 4667.740234 154.00087 374 154.660706 18 154.781052 23 154.999329 64 156.899033 21 161.227905 17 171.002869 250 175.446564 28 186.978073 19 203.908371 31 209.996246 17 211.938004 18 212.015976 17 214.046677 18 218.007782 18 222.999878 547 224.002594 95 225.008942 22 229.951126 19 234.637802 18 241.011246 1830 242.015305 122 243.014084 37 245.403854 28 245.856384 18 247.235748 20 247.939087 19 251.123642 20 251.236618 29 255.446289 23 259.02243 192 260.030548 41 262.854156 19 263.939056 37 266.156708 18 277.214355 18 279.232178 273 280.236755 456.058533 280.28006 18 280.626068 17 281.248108 4556 282.25296 822 283.257507 92 287.443268 17 303.03009 21 314.901367 18 315.047699 1474 315.230743 19 316.050568 230 316.559204 18 317.044464 46 333.059692 81 335.41925 17 335.662781 18 352.719177 18 353.675507 17 371.675781 21 372.295319 18 390.02475 17 400.862854 19 417.239288 94 418.233429 58 430.727356 24 435.272156 18 446.579834 23 469.847229 17 485.016449 21 489.044556 34 506.266693 18 506.878418 18 513.161499 18 560.421082 18 563.179138 18 569.268799 17 588.456909 18 589.429199 21 589.482178 18 593.25824 18 595.284973 18 596.291321 1514 597.142761 34 597.304077 12141.655273 597.437561 20 598.306519 3819 598.485229 18 599.198059 18 599.309875 829.400024 600.322021 232 601.328003 20 605.360168 18 606.406555 18 619.846436 27 639.815552 20 697.220215 22 726.279785 18 761.644592 40 792.445007 20 865.39386 18 902.800964 18 905.474365 27 948.549316 26.000002 984.210876 18 988.256287 20 1003.318298 18 1016.489014 20 1036.219238 23 1044.415039 22 1071.672119 21 1147.102417 18 1160.404663 19 1171.201294 21 1178.331665 21 1185.260742 18 1191.032715 20 END IONS BEGIN IONS FEATURE_ID=171 FEATURELIST_FEATURE_ID=Aligned feature list peak:171 MSLEVEL=2 RTINSECONDS=229.77 PEPMASS=595.28803 CHARGE=-1 FEATURE_MS1_HEIGHT=1.285E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8:988"] SCANS=171 Num peaks=139 52.815681 28 65.510262 17 77.155472 18 78.95813 349 82.019073 18 86.58593 18 86.913544 29 92.986618 26 94.102463 26 95.73082 17 96.967438 56 103.525406 23 117.932838 27 118.0812 26 126.953735 17 128.262177 19 133.489471 17 139.492111 18 141.41864 18 141.633118 18 146.965317 38 152.995819 6666 153.021027 46 153.053436 18 153.166092 18 153.999741 156 154.999039 56 155.353058 20 157.844345 19 161.883972 20 167.87886 18 169.972397 18 171.005539 247 176.937744 28 179.053574 23 196.599136 21 196.907822 19 202.916916 18 204.994553 26 208.332321 22 208.397507 17 208.927841 18 211.810852 26 213.027878 19 220.249496 22 223.000793 643.679504 224.00885 104 228.53714 18 228.799042 18 241.012497 2564.033447 242.013947 320 242.130646 19 243.008896 22 256.615234 18 257.250732 19 259.024139 241 260.728333 25 261.223236 20 265.141663 23 266.685486 17 270.101288 18 271.861847 42 277.218842 41 278.21933 17 278.765778 18 279.232788 3614 280.089844 39 280.237732 806 280.346283 18 280.981934 18 281.182098 26 281.248749 3384 281.638763 18 281.869598 20 282.253052 672 283.262787 45 286.270355 18 301.716919 18 310.47226 17 310.575958 18 311.453217 17 315.048218 3322 315.100616 22 316.050903 425.999969 316.10965 21 317.051178 36 327.704468 18 330.728546 24 333.055634 164 333.129883 18 334.743347 20 334.849243 18 335.064911 18 372.062439 17 379.115387 18 398.273987 18 411.164948 18 417.244385 73.393188 438.349121 23 451.078278 18 472.851593 19 473.004578 25 480.118164 54 555.391296 20 557.962769 18 560.246399 18 569.256287 18 589.49292 18 594.27594 116 595.289429 9407 595.480835 18 595.658386 20 596.293518 2992.052979 596.791748 17 597.303589 9550.700195 597.524719 41 598.308289 2242 598.751831 18 598.784729 22 599.312927 158 600.100464 19 600.7547 22.999998 602.508789 22 605.566284 18 610.368591 18 675.788757 19 791.734497 19 801.207275 21 816.288818 19 863.509949 18 890.299377 18 901.57959 25 935.270447 22 961.36969 25 1104.510376 18 1177.715576 19 1180.630371 19 1183.583008 26 1193.579102 24 END IONS BEGIN IONS FEATURE_ID=172 FEATURELIST_FEATURE_ID=Aligned feature list peak:172 MSLEVEL=2 RTINSECONDS=232.90 PEPMASS=569.27257 FEATURE_MS1_HEIGHT=6.02E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8:1145"] SCANS=172 Num peaks=130 52.027763 20 53.916103 29 55.996128 20 60.139946 17 60.52158 20 65.344765 19 67.632973 21 72.646339 20 74.025192 34 74.83226 18 76.279671 18 78.954758 126 83.581116 19 85.110168 17 90.660629 17 91.655251 22 94.207253 19 97.181961 18 98.204071 22 102.212708 17 108.325264 18 116.928711 21 122.384369 18 125.873161 21 134.001144 22 134.728821 24 146.962357 21 150.978851 20 152.995712 1572.869141 153.99826 20 154.99881 21 168.138916 28 170.956589 18 171.009338 38 172.924088 27 173.008591 23 178.97316 19 181.068787 18 187.275955 23 187.711487 20 199.611404 20 204.056885 20 212.125107 18 213.15863 24 213.574738 18 213.957367 19 216.476013 18 218.850021 20 222.999817 196 235.297485 20 237.109848 22 241.012848 783 242.017029 36 246.857193 18 249.528488 20 252.464203 22 253.170761 21 253.216232 1706.299683 254.221329 262 255.122604 18 255.224518 146 259.025208 60 263.435486 19 263.792877 18 269.04892 21 273.058441 22 283.067993 45 299.154266 18 311.175385 73 314.220459 18 315.048553 741 316.039673 18 329.823914 18 333.059601 62 354.638947 26 355.08847 25 359.850372 20 367.175446 40 369.172028 18 373.842224 27 381.366089 37 392.08548 27 394.028931 18 399.933563 18 407.22168 19 420.28064 20 423.078064 20 457.800232 22 461.100891 36 462.218994 29 462.758453 18 480.025513 23 489.11618 21 507.171204 20 509.853363 18 521.997803 18 522.244263 25 551.203796 21 552.189819 18 567.766418 17 568.966553 17 569.27356 4134.657715 569.464722 18 570.156982 18 570.275513 1246.569824 570.395081 18 570.649353 18 571.04425 46 571.281982 620.882446 572.187256 17 572.279846 80 572.333923 39 577.718262 25 580.716431 22 593.265747 20 595.293579 29 597.297485 47 598.312317 18 624.310608 18 702.17627 18 709.271423 22 724.295471 18 788.17865 18 816.450928 20 884.549011 25 986.330322 18 1007.353088 20 1082.167969 18 1148.275146 21 1193.596558 18 END IONS BEGIN IONS FEATURE_ID=173 FEATURELIST_FEATURE_ID=Aligned feature list peak:173 MSLEVEL=2 RTINSECONDS=234.27 PEPMASS=443.10393 FEATURE_MS1_HEIGHT=1.044E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8:1081"] SCANS=173 Num peaks=192 50.356434 20 53.946579 31 57.11573 17 58.310444 18 59.013889 203 60.017891 18 61.41938 23 61.990604 18 66.899605 17 67.019707 18 67.280304 17 69.035545 22 70.695015 17 71.013313 331 72.01503 39 72.449684 20 73.029404 58 77.668205 20 83.014999 17 84.469475 18 85.014717 18 85.03157 76 87.008415 201 87.045883 54 89.024132 1107 91.028908 20 97.028786 37 97.674248 20 99.043663 21 100.874878 17 101.024178 770.72052 103.03228 19 105.731148 18 106.075073 18 112.060989 20 113.023788 285.115479 115.814354 20 116.706131 24 117.021004 26 118.935768 18 119.035172 823.653992 119.178452 19 120.036591 38 121.037117 21 125.024429 72 127.039948 19 129.020401 47 129.626999 18 131.039368 46 131.102203 20 136.991425 20 139.443802 18 140.124512 35 143.035507 327 144.596039 20 149.047943 126 154.063705 22 155.833496 17 156.174133 18 158.980377 22 161.046539 388 163.259537 36 167.015976 18 167.039413 20 172.059113 18 174.531799 18 179.023849 20 179.054367 1724.253906 180.056717 94 182.730865 28 190.117508 18 198.075577 25 204.782074 18 205.787659 17 209.073303 23 212.88942 20 215.965637 27 217.078918 17 221.001175 18 221.072418 23 223.041336 18 226.925339 18 229.034241 26 230.61116 18 234.905396 26 237.947586 22 249.177032 17 253.255737 22 260.120361 36 265.121307 48.995213 265.145569 30 267.100464 18 278.18692 24 278.803802 26 281.253021 47 285.042175 17 287.874176 18 298.094604 22 305.086334 139 314.746033 18 318.080322 18 323.097076 1785.970825 324.097229 226 325.107178 63 325.18161 17 325.437561 18 330.207306 20 337.626953 18 340.488342 20 341.107635 6723.867188 342.11145 874 342.160645 18 342.222321 22 342.398193 24 343.110443 240 343.190216 18 349.244568 18 349.530853 21 351.083099 37 355.007111 21 356.634888 18 356.906097 17 362.993713 20 369.10495 445 370.101349 21 371.104401 21 371.986237 33 383.107117 18 383.180878 20 391.928223 20 397.09964 74 402.243011 20 402.970551 21 404.015228 18 410.171844 20 411.375275 23 415.102722 17 442.252686 24 443.106567 348 443.409912 20 444.106537 58 445.127533 73.481575 445.2948 18 449.359344 27 461.10025 22 467.137177 20 476.060059 20 476.663605 29 482.165924 28 483.078217 22 493.093567 18 516.022583 25.999998 519.102478 17 543.032776 29 543.402649 17 565.155457 20 569.284973 43 570.276306 27 597.309875 94 598.309692 38 623.314636 18 624.315735 18 625.272034 18 643.209595 39 661.177185 25 667.879578 20 669.204712 17 669.654236 20 710.253662 33 715.13623 19 716.36731 20 718.804688 23 737.326599 24 746.598328 18 759.830261 20 795.34137 21 814.359253 20 870.094055 20 906.100281 18 962.244324 26 993.384644 22 1031.303833 22 1035.557739 21 1047.114258 21 1080.119873 18 1092.908081 18 1108.398926 21 1114.561523 19 1119.400879 18 1130.398193 17 1139.309326 18 1197.373901 23 END IONS BEGIN IONS FEATURE_ID=174 FEATURELIST_FEATURE_ID=Aligned feature list peak:174 MSLEVEL=2 RTINSECONDS=234.36 PEPMASS=460.09415 CHARGE=-1 FEATURE_MS1_HEIGHT=2.908E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8:909"] SCANS=174 Num peaks=102 51.31918 20 61.091946 20 61.987625 3855.462402 62.339657 18 62.468594 19 62.604015 20 62.662514 18 62.913624 18 63.284218 17 63.986004 17 65.946121 18 71.743034 18 80.924187 24 82.980843 20 83.806755 18 87.314468 20 98.545914 20 110.729134 17 119.457298 18 119.681145 28 121.57975 22 124.305809 19 126.18499 19 129.9776 35 130.038132 25 136.971451 22 137.025772 29 140.938004 18 150.900482 18 151.027008 18 152.894394 22 162.885696 17 163.369308 20 164.525558 24 166.091476 17 180.154755 21 182.957047 18 189.858215 18 192.118851 17 202.963806 17 203.069366 21 203.864868 20 204.219742 21 207.718185 18 208.856247 18 209.921402 20 219.167297 20 221.946274 18 225.927536 33 227.037888 18 234.959183 26 241.148285 18 248.551559 18 265.148346 20 268.932739 18 268.978638 19 290.030731 18 293.638184 18 304.894958 17 305.660583 20 311.159973 17 322.838013 19 327.10141 25 328.927124 20 337.231445 23 348.096771 18 356.767365 23 370.905762 18 379.073303 37 398.982178 21 404.75293 26 414.084534 28 415.038055 17 418.278748 17 421.134766 19 460.003235 25 460.095032 1074 460.338898 42 461.098328 234.999985 461.141693 21 461.966034 17 462.086548 29 462.469116 22 462.718994 18 464.297821 37 468.518188 26 472.937531 18 481.062347 43 515.04303 47 541.140625 18 578.241638 18 611.107727 18 620.524719 17 681.173096 18 776.79657 20 871.806213 28 967.385132 18 1018.132568 28 1030.937988 31 1066.275146 18 1088.951294 28 1170.634644 18 END IONS BEGIN IONS FEATURE_ID=175 FEATURELIST_FEATURE_ID=Aligned feature list peak:175 MSLEVEL=2 RTINSECONDS=235.01 PEPMASS=609.1454 FEATURE_MS1_HEIGHT=6.242E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:1277"] SCANS=175 Num peaks=137 51.932129 38 59.452644 20 61.078682 22 61.688408 24 64.719177 18 65.067963 18 74.48465 18 75.309563 18 88.305634 17 89.67038 20 90.720909 29 91.783257 29 96.96859 18 101.391029 21 103.063919 18 106.099731 17 106.835312 20 118.551147 18 118.946472 18 119.88121 18 126.256386 44 128.673126 41 128.818741 20 132.583984 25 133.371445 17 136.566437 18 147.467285 17 151.002258 65 152.006638 18 153.975662 26 157.899185 18 158.146118 18 158.936081 26 167.337433 17 169.020737 35 169.048996 26 176.416443 18 177.025757 18 179.000259 53 179.033676 18 184.131989 18 190.018814 18 191.033722 18 195.496384 20 205.043777 20 211.029053 20 211.447083 18 215.057068 18 224.45018 18 231.065125 24 234.198578 19 241.645676 18 255.028519 41 257.046204 29 261.54007 21 263.022858 22 271.028442 87 272.037292 51 273.029388 19 283.042786 17 296.021149 23 296.479706 22 300.026489 2080.955322 300.082031 31.699726 300.198975 20 301.033722 1485 301.132843 17 302.036682 209 302.573517 20 302.799774 18 303.032013 39.376026 303.052307 17.833382 311.023865 17 317.238586 25 325.30249 17 326.096802 21 343.05777 19 344.055084 17 351.609711 20 366.210999 23 376.85553 18 382.413422 17 388.998932 20 390.579773 21 395.472687 17 403.743652 18 405.973846 33 425.12735 18 432.293365 22 436.193359 17 439.080566 18 447.094971 22 450.079742 19 452.936676 18 453.153961 18 465.282806 18 488.074585 17 491.120544 19 495.172974 20 503.096344 18 504.983276 18 518.103821 20 524.212952 22 528.020203 18 541.062256 37 545.265381 22 565.113037 18 568.743835 22 574.22998 18 575.138733 19 577.144043 18 600.023499 20 608.335815 27 609.074463 51 609.145874 4426.09082 609.287048 18 610.062622 22 610.148499 1363 610.232422 72 610.29718 18 611.150208 310 611.792847 20 612.147827 120 698.230652 18 813.143555 17 828.018494 17 944.61615 17 973.334412 19 987.54303 33 993.925659 65 1086.206787 17 1093.485596 32 1136.392456 18 1142.257812 22 1179.386475 18 1192.380493 18 1196.402588 24 END IONS BEGIN IONS FEATURE_ID=176 FEATURELIST_FEATURE_ID=Aligned feature list peak:176 MSLEVEL=2 RTINSECONDS=235.87 PEPMASS=380.1556 CHARGE=-1 FEATURE_MS1_HEIGHT=1.189E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:1282"] SCANS=176 Num peaks=196 50.710987 23 59.012253 115 59.223568 27 59.870506 19 60.096706 19 61.354073 18 61.422489 21 61.986027 20 65.682358 20 68.995789 27 71.013016 470 71.049377 18 71.318146 17 71.439346 18 72.017586 86 72.968971 17 74.170135 19 79.087486 18 81.234917 23 82.441063 18 84.65567 17 85.026161 62 86.277626 20 87.009636 18 88.040382 101 89.023216 133 89.189911 24 90.027634 17 94.802353 20 98.063095 19 99.053497 18 101.022774 325.862 103.039307 19 105.927467 18 106.822342 20 110.734695 24 110.790764 20 112.507797 18 112.588623 19 112.623352 19 112.987961 18 113.025322 149 114.029564 20 116.036949 66 116.070686 17 117.034378 24 117.054405 18 118.226852 22 119.033051 149 120.042122 23 120.180214 28 121.941208 22 122.734558 20 124.369186 19 125.208595 24 126.091667 22 128.03479 21 128.072327 59 129.076904 22 131.037048 18 133.779663 29 134.057175 22 136.01474 17 136.993607 36 137.015137 25 137.030807 46.109051 137.458755 18 138.955978 18 140.505219 52 142.940445 20 144.94632 25 146.081375 2635 146.581131 20 147.034225 22 147.084351 250 148.042603 20 148.082916 21 151.023209 45 156.804184 18 157.742401 33 160.027634 17 160.924698 19 161.041855 73 161.227554 17 163.005157 18 163.051254 18 164.058701 18 164.132233 19 168.520737 20 174.865631 23 175.0242 41 175.118759 21 177.037125 23 177.175659 18 179.051041 18 182.321655 19 182.913742 33 183.030533 24 183.065933 22 188.096527 22 191.021927 18 200.095673 84 203.049652 17 203.082245 53 210.931335 23 213.950287 23 214.198486 19 216.944244 17 217.084518 19 217.970566 18 218.104721 37 218.518829 28 219.330276 19 220.914963 18 221.02858 22 226.805847 20 229.049576 35 229.91275 21 232.086639 28 234.274216 21 245.879059 20 254.961838 19 259.785278 20 260.111664 38 263.11264 124.999992 263.729095 18 267.082794 18 269.700226 22 270.305725 25 276.975983 24 280.20993 24 285.920227 20 290.122559 28 290.926849 20 291.266571 20 296.701813 49 298.038696 24 303.126404 19 304.5737 20 305.053314 33 307.64798 21 308.133179 596 309.146301 84 310.139954 20 311.038605 20 315.100647 18 318.076599 22 319.023865 20 324.919312 23 329.921967 22 334.235901 20 346.952057 18 347.874512 24 362.146942 56 362.372253 18 363.867676 20 373.496857 22 375.074768 19 380.155884 5892.693359 381.159058 958 381.217926 43 381.908051 20 382.161224 185 382.35434 20 383.898956 20 385.027161 20 385.484375 23 388.405487 17 389.412262 18 399.742615 18 401.167328 20 409.61087 18 413.273346 25 419.528656 22 420.940338 17 436.311432 17 443.162018 17 460.091644 17 513.178772 18 547.552795 27 569.285461 31.000002 597.308228 19 609.133606 19 709.604126 17 784.304382 18 837.338318 18 844.184937 17 933.030701 22 961.48468 27 1001.324097 20 1084.813965 24 1125.89209 18 1142.429688 22 1160.167358 22 1183.271973 18 1194.588379 18 END IONS BEGIN IONS FEATURE_ID=177 FEATURELIST_FEATURE_ID=Aligned feature list peak:177 MSLEVEL=2 RTINSECONDS=239.98 PEPMASS=460.09422 FEATURE_MS1_HEIGHT=7.37E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8:1123"] SCANS=177 Num peaks=124 51.238243 17 52.408005 18 55.551754 21 58.403683 20 61.987495 938 63.990452 18 64.160904 17 69.000183 45 70.492477 20 74.845657 19 76.709831 18 85.095108 20 86.885818 21 92.789322 18 94.983162 26 95.441414 17 100.153053 18 101.626709 18 108.032066 18 108.77066 20 116.549721 20 121.719025 18 123.590843 20 133.989304 19 140.013351 22 142.078354 23 146.965775 75 159.078094 28 160.937317 22 161.899139 25 166.050964 20 167.035828 94 167.063324 19 170.405685 22 172.012833 21 173.06192 20 174.034576 24 177.013489 19 180.665115 23 184.105179 24 186.613754 18 194.900681 19 195.975342 22 200.947891 27 201.047577 17 207.221405 22 221.96991 23 229.962753 22 235.773621 18 239.970535 18 240.971039 23 247.819626 20 259.98172 29 263.759796 19 263.955017 19 265.917969 20 267.154968 22 270.799957 20 270.864014 19 272.060791 18 282.64386 20 282.844116 20 294.009247 17 297.154114 22 298.204376 20 298.870331 17 302.042389 19 302.373932 19 311.165497 19 318.896027 20 322.27121 18 325.194611 21 327.079163 18 339.192291 18 345.513916 18 351.00531 20 351.923309 23 354.045349 25 357.824463 19 358.200775 18 369.54599 33 374.925598 25 375.963959 25 378.564209 18 383.608002 40 385.065125 18 387.864746 24 405.309387 18 405.9758 18 410.708984 23 414.891083 20 438.464386 22 459.731018 18 460.098816 149 460.137543 26 460.225616 18 461.098297 62.011192 461.133392 43 461.390533 21 462.132721 21 462.191315 18 476.06488 18 481.118896 20 497.656036 17 509.112762 22 533.3927 18 588.316589 18 649.253967 47 651.835693 22 730.476013 18 762.7901 23 788.23761 23 851.427979 18 862.095825 21 881.042664 26 891.157104 26 956.054504 26 1035.767822 19 1052.928223 18 1073.751587 39 1089.277588 18 1110.402588 39 1161.264893 17 1163.994873 32 END IONS BEGIN IONS FEATURE_ID=178 FEATURELIST_FEATURE_ID=Aligned feature list peak:178 MSLEVEL=2 RTINSECONDS=240.29 PEPMASS=174.04027 CHARGE=-1 FEATURE_MS1_HEIGHT=2.188E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8:1315"] SCANS=178 Num peaks=186 51.350071 22 55.643032 19 57.905762 18 58.028244 492 58.043457 20 59.014641 214.88353 59.036537 28 61.988064 24 68.282677 29 69.071938 18 70.027832 152.618729 71.012436 404 72.659187 20 72.85495 18 73.778137 20 75.433838 19 75.716835 20 78.372902 17 82.846245 18 83.016212 18 83.930779 38 84.046043 35 84.680367 18 84.929718 20 85.027969 57 85.068108 18 85.941254 45 86.060715 20 86.773682 19 86.949364 18 87.004745 20 87.04538 18 88.039856 8248 88.971672 17 89.043221 383.360382 89.134392 17 89.435471 20 92.389244 20 93.371468 21 93.72303 18 95.812859 20 95.919518 30 96.492661 21 96.993645 371 97.027809 18 97.417389 18 97.99765 22 98.996979 18 99.623138 23 100.931915 21 105.894447 18 108.119446 18 109.162277 18 111.045441 22 112.039391 317 113.029495 20 113.044601 20 113.61055 17 114.018585 989 114.04071 18 114.825073 19 115.003281 1403.023193 116.005486 84 117.005173 37 119.055534 25 121.336006 20 122.019173 36 123.780045 40 125.268593 27 129.014648 18 130.050095 1340 131.029999 18 131.053268 159 132.030304 41 136.338745 24 136.935394 17 137.102173 18 138.149887 22 140.989716 21 141.101898 19 144.987503 18 146.195374 28 146.699997 20 154.943024 18 155.033936 19 156.03038 342 157.034927 68 157.914154 23 158.033401 17 158.194321 23 162.449692 23 164.066574 18 173.064407 18 173.107544 20 174.039749 1834.922729 175.040359 154 176.044937 24 176.99437 21 186.887665 22 187.385361 17 187.977325 18 215.052307 22 216.342331 27 227.705643 18 230.103195 18 234.389603 24 235.413559 18 235.938736 18 242.035446 33 243.018188 18 243.130432 20 246.679688 33 252.347992 23 259.091553 26 267.076141 56 272.649445 21 274.908844 21 288.253693 19 289.456848 23 298.061005 41 302.925446 18 303.079071 18 303.515533 18 307.775696 18 308.92514 20 309.161835 24 312.685699 52 313.027588 18 326.362274 21 329.137756 18 330.097076 20 333.089172 20 335.83902 18 339.346527 18 341.179993 33 350.713013 21 358.15152 46 377.17218 18 377.681458 35 383.493683 29 390.198608 22 415.120575 21 425.722626 18 433.134552 18 451.545654 29 479.830078 18 489.185211 17 510.144958 20 514.944397 23 521.085876 18 541.738647 21 541.986267 18 557.125 42 585.99646 18 614.264587 18 664.22406 20 668.136841 21 682.196045 20 732.156555 22 763.929321 18 766.75946 21 779.334961 18 803.354858 18 847.313477 21 848.226257 17 864.819092 18 871.218506 18 903.161499 32 923.042297 23 941.376343 20 974.165222 18 1032.529785 22 1052.345703 17 1058.688477 22 1065.168091 18 1065.280884 19 1081.316284 20 1083.319458 18 1097.372192 18 1102.466187 20 1116.142578 27 1130.135986 29 1141.331787 19 1175.300049 21 1188.101929 18 1188.203979 29 END IONS BEGIN IONS FEATURE_ID=179 FEATURELIST_FEATURE_ID=Aligned feature list peak:179 MSLEVEL=2 RTINSECONDS=241.14 PEPMASS=164.07128 CHARGE=-1 FEATURE_MS1_HEIGHT=2.347E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8:1224"] SCANS=179 Num peaks=100 51.547482 25 53.42989 18 55.234432 17 59.322552 18 60.6936 18 72.008224 1230 72.526611 18 73.799019 18 77.039551 96 78.523682 18 79.956787 218 85.829239 39 90.950584 18 91.055061 416 92.06366 29 93.02713 20 95.947464 21 101.007759 22 103.054237 2964.346191 103.758026 22 103.870781 27 104.057144 373 105.057938 17 108.686462 21 109.028114 23 113.938042 21 116.053902 18 116.923119 18 117.906296 23 117.925377 21 117.984062 18 118.061684 90 118.837456 27 118.919563 26 118.994026 60 119.011887 20 124.098175 20 132.041428 17 132.916611 17 137.707626 20 146.063171 64 147.044388 5855.494629 147.255035 18 147.405411 18 147.918701 20 148.04863 514 148.087936 32 149.014832 28 149.05571 66 150.437866 25 155.548508 25 159.880692 36 161.666183 21 162.011505 17 162.886154 22 163.016602 25 164.071121 4006.538086 164.37558 18 164.610062 20 165.076355 441 165.241058 18 166.053268 313 166.09668 17 167.057831 59 167.955276 18 182.249222 28 195.887589 18 196.887314 27 234.713455 18 242.108932 20 292.260071 21 293.324677 18 301.873199 29 310.29837 17 318.11731 17 346.402252 18 350.313385 27 390.434662 20 410.929016 18 435.065277 28 435.594208 20 437.062164 17 448.480133 20 560.052429 20 655.953125 18 663.131104 18 720.090149 17 787.515076 22 822.108459 18 904.377869 25 911.157959 18 933.993835 18 964.443909 18 995.920837 24 1020.307495 18 1062.434692 18 1102.026367 20 1122.001343 24 1122.190063 27 1197.275513 21 END IONS BEGIN IONS FEATURE_ID=180 FEATURELIST_FEATURE_ID=Aligned feature list peak:180 MSLEVEL=2 RTINSECONDS=241.28 PEPMASS=267.07237 FEATURE_MS1_HEIGHT=9.501E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8:1320"] SCANS=180 Num peaks=158 50.078259 20 54.778664 18 56.718468 18 57.923153 18 58.223667 20 58.54493 23 61.025917 48 61.986359 18 62.217236 20 65.996368 20 66.159393 20 69.677467 22 69.921379 17 72.773605 19 74.505569 18 76.629028 20 77.056999 19 79.029289 61 83.694458 20 84.947929 32 86.942734 18 88.011368 20 89.02491 260 89.713463 20 89.841194 35 90.027252 23 90.271408 30 91.029907 18 92.024506 171 95.960121 18 96.956696 47 96.96846 59 97.493835 18 97.96447 21 98.955505 35 105.039124 24 106.0214 33 106.040314 76 106.315018 18 107.02272 19 108.019661 161 111.015381 38 116.028 67 116.377983 18 119.022339 52 119.043953 18 120.029114 30 121.028183 18 122.03389 20 122.371887 22 123.025429 23 124.038292 27 124.952301 44 128.037796 32 134.020706 37 134.036087 79 134.732437 24 134.917984 20 135.030899 4879.001465 135.077606 18 136.035522 600 136.058426 32 137.032272 18 141.020691 20 142.364059 17 147.024399 18 149.04483 309 150.023636 20 150.044983 56 150.268524 18 150.970917 27 151.581757 24 153.015121 20 153.040131 18 154.400513 20 159.025208 37 159.69548 22 161.051773 18 163.078659 17 167.776337 26 172.048431 18 176.060349 22 176.999222 30 177.040695 393 178.045837 37 178.097733 18 178.964218 22 179.035324 915 180.036591 106 180.976303 18 181.095718 20 183.942169 24 184.702759 20 189.067291 18 194.987473 19 195.623352 17 196.980042 182 198.975555 17 201.037598 36 201.937851 18 205.071243 18 206.09465 28 209.091675 23 211.684265 18 222.994766 17 223.960327 24 224.978073 22 226.965271 17 229.577499 33 235.048355 129 237.039841 19 237.208771 22 249.069992 73.521858 250.065811 17 251.033829 18 266.149414 85 267.072784 3976.230469 267.147247 36 267.400513 20 268.073334 503 268.168793 23 269.082153 117 269.13504 22 271.021576 20 276.816559 19 286.023621 19 292.505981 23 298.714233 18 325.072296 37 330.481842 27 332.011963 18 332.539673 21 334.311737 18 339.889099 22 340.893738 17 344.122864 20 357.66449 19 375.063782 20 454.628693 20 469.346588 18 558.138306 19 559.204285 21 622.80957 18 644.177429 55 654.957825 20 690.089172 19 741.773621 44 755.077148 30 763.188477 18 841.282349 20 946.250793 18 985.042053 20 1026.286987 17 1057.504639 19 1112.210815 18 1126.197998 21 1137.305542 19 1198.453491 19 END IONS BEGIN IONS FEATURE_ID=181 FEATURELIST_FEATURE_ID=Aligned feature list peak:181 MSLEVEL=2 RTINSECONDS=243.78 PEPMASS=243.06154 FEATURE_MS1_HEIGHT=7.983E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8:1147"] SCANS=181 Num peaks=167 50.181362 20 60.888973 20 61.98856 617 62.818745 18 63.10363 18 64.600571 20 69.037704 36 70.672935 24 71.031593 20 71.842186 20 73.361649 22 77.544617 20 79.708267 25 79.958076 24 80.411667 18 82.030945 98 83.011658 17 83.678581 18 86.768539 18 87.005981 20 88.705978 22 89.554207 20 93.003647 20 94.820709 24 95.249763 21 96.045181 144 97.033562 19 98.168869 18 99.923439 74 101.026978 50 103.917915 239 104.920876 17 105.034401 18 105.63945 31 107.403938 29 108.00209 35 108.735664 18 109.039368 57 110.02417 358.859528 110.956879 18 111.02034 259.842773 111.790794 20 112.03862 20 112.274338 18 112.955307 22 113.026184 45 114.029121 18 117.926155 24 118.282249 21 118.921181 22 119.613594 17 122.019997 37 123.036789 22 124.026047 59 125.016655 19 125.035538 42 125.197395 18 126.034813 21 126.931526 18 138.596756 19 138.686157 20 139.01413 45 139.052078 33 139.946091 18 139.991806 25 140.034424 396 140.291611 20 140.705246 18 141.032852 45 144.164108 40 146.962814 48 149.915085 176 151.740692 18 152.029373 132.220612 152.72226 18 153.029938 4324 154.034378 266.085541 154.64035 17 154.951248 21 155.032166 55 155.605057 17 155.947754 40 156.295425 28 158.991776 25 170.043106 22 177.021408 18 181.15448 17 183.041168 391 183.107849 29 195.906204 191 197.060181 22 197.90799 18 197.964981 21 198.9617 24 199.945908 17 204.607361 19 208.118393 18 213.049637 42 218.994278 18 222.126236 18 223.871796 20 224.862976 18 225.050446 30 225.077072 22 227.056305 17 230.893143 18 237.156982 27 241.90332 20 242.075958 23 242.171661 22 243.012177 18 243.061966 421.697205 243.887039 35 244.026718 20 245.06311 21 246.593307 19 272.895172 21 297.151581 18 297.997101 20 303.973297 27 304.944366 27 306.057983 39 309.997314 20 311.160156 17 318.091431 23 322.103638 17 342.089081 18 387.226562 20 412.741791 30 431.547485 18 435.136292 19 438.000183 18 447.068207 17 450.244904 32 457.08017 31 460.166901 38 465.121857 23 467.541473 20 471.679565 17 484.142944 20 487.374939 17 538.333435 19 545.873779 18 550.124634 20 617.190979 25 670.799438 21 681.872192 18 754.071045 18 812.799316 18 826.047913 22 843.431274 18 858.062073 18 904.462036 18 910.027405 18 930.103516 18 934.335815 18 958.398132 31 968.250671 18 1000.446167 23 1030.628418 25 1037.877808 18 1059.032349 18 1064.054688 20 1110.897583 17 1118.193848 22 1141.058838 18 1192.650024 18 END IONS BEGIN IONS FEATURE_ID=182 FEATURELIST_FEATURE_ID=Aligned feature list peak:182 MSLEVEL=2 RTINSECONDS=244.55 PEPMASS=130.08676 FEATURE_MS1_HEIGHT=1.283E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8:1251"] SCANS=182 Num peaks=116 50.646801 18 51.265522 18 57.032055 26 57.93021 17 60.247608 23 61.980774 19 64.103966 18 64.542503 17 66.038704 44 66.752785 22 71.012444 145 72.081467 17 72.992683 20 74.92675 21 80.586632 43 82.062035 31 84.081566 61 87.009758 27 87.041351 23 88.043312 26 91.042992 19 99.056213 18 99.926132 21 101.932594 18 106.776169 19 112.987503 24 113.266159 25 113.52652 25 115.001526 174 115.91851 137 117.160179 22 120.27314 45 123.117538 20 124.060837 20 128.628189 21 130.086563 3491.332764 130.929138 20 131.092682 301 132.090073 31 132.921509 23 133.00975 81 133.04512 18 146.972168 37 160.336319 18 168.052139 18 176.978622 20 177.764038 21 186.567978 17 223.153854 20 231.934204 20 256.97467 18 260.39856 20 272.290894 30 275.76825 20 277.12204 38 294.411346 20 304.456635 18 305.092621 34 306.058929 34 310.005859 30 325.559021 22 353.962067 21 354.849335 19 376.441223 18 395.277161 17 405.639496 24 410.11731 18 431.163391 19 431.314758 18 438.129913 23 454.11792 22 459.911072 23 463.867981 17 472.062958 17 481.101105 22 493.03595 19 512.085144 17 516.979309 21 543.18988 19 549.918335 20 571.122253 18 598.237549 24 616.360779 25 623.316162 18 626.297913 18 692.268372 17 702.317993 17 745.063416 17 752.210693 17 791.325867 24 792.202209 18 798.963074 36 806.956421 18 809.101013 18 821.922302 20 845.403198 20 855.669617 23 881.002869 20 919.141602 26 946.364075 18 970.343262 23 970.400635 22.000002 972.178406 26 984.136963 24 1003.306396 21 1006.513672 28 1006.791504 18 1044.200684 17 1050.059692 47 1058.854004 22 1084.849731 20 1118.889893 19 1122.973022 19 1161.375 17 1177.01416 20 1185.047607 32 END IONS BEGIN IONS FEATURE_ID=183 FEATURELIST_FEATURE_ID=Aligned feature list peak:183 MSLEVEL=2 RTINSECONDS=244.55 PEPMASS=438.12498 FEATURE_MS1_HEIGHT=9.661E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:1349"] SCANS=183 Num peaks=165 53.113708 18 54.615238 23 55.771481 21 56.93766 17 59.442379 18 61.987274 976 62.046841 17 65.043312 19 65.34491 35 65.891159 18 69.655006 18 71.027168 25 74.022667 23 75.223335 18 89.844055 20 90.77079 20 95.505859 18 98.76638 20 103.926727 28 114.052483 18 116.922501 37 128.266098 21 128.702927 22 128.95755 18 130.595383 20 130.93898 17 131.03569 19 132.865585 20 137.030258 42 139.252441 29 141.61557 20 142.217026 22 143.033585 19 146.118164 18 146.967392 20 147.029221 18 153.499649 39 156.891586 22 163.041107 20 165.072418 17 168.030365 37 173.963654 36 175.463272 21 177.037048 18 177.056595 26 178.979279 18 179.05722 24 181.184418 18 187.369888 20 191.074203 20 192.972794 24 195.056091 20 197.042038 25 203.965912 18 205.047363 18 211.138138 22 218.084976 25 219.086304 32 220.934509 23 227.141724 17 229.035568 23.999998 231.020874 23 231.079391 22 241.706451 18 252.078674 23 253.037643 21 255.025024 19 257.178772 18 259.335175 32 261.979889 17 262.951691 20 263.095367 18 265.144958 25 266.252289 21 267.072784 20 268.115326 18 271.023102 18 274.117371 30 275.956604 17 276.014618 20 277.015259 23 283.05365 19 287.162933 24 287.687469 17 287.753204 17 288.042694 22 295.097015 17 303.024536 19 305.93515 22 306.064514 17 307.896667 32 308.208832 18 312.990723 18 313.716827 19 319.059753 28 321.15329 18 326.190338 21 331.0737 21 331.136414 18 333.030945 30 333.133636 17 334.180542 19 347.874512 18 350.075745 22 353.984344 18 355.879822 20 356.455475 19 357.105682 28 368.945465 40 373.904602 26 389.012909 20 391.098969 18 409.198517 19 418.99646 18 422.008331 21 429.425995 24 438.035797 18 438.118958 45 439.124725 53 440.119293 21 441.056091 20 441.24823 24 449.220062 20 456.083405 17 465.133392 19 472.074432 20 472.117706 18 476.143951 18 478.079773 18 488.895538 18 495.256042 22 509.300262 23 514.034058 18 534.914612 20 560.882446 18 571.154968 18 653.209839 17 659.994751 18 684.123352 28 695.229675 20.000002 703.811462 37 727.234314 18 743.141418 20 784.49469 18 795.139648 22 798.887146 20 807.134033 19 828.499023 18 830.122986 18 833.510803 18 922.260681 18 955.424133 19 965.724976 33 971.324402 21 992.961365 18 1003.346497 20 1017.668457 18 1067.031128 26.999998 1068.797363 22 1113.349731 17 1134.464355 17 1139.059937 17 1175.063232 22 1180.115845 18 1188.387939 18 END IONS BEGIN IONS FEATURE_ID=184 FEATURELIST_FEATURE_ID=Aligned feature list peak:184 MSLEVEL=2 RTINSECONDS=246.07 PEPMASS=255.05385 FEATURE_MS1_HEIGHT=7.472E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8:1365"] SCANS=184 Num peaks=145 50.473721 18 52.60664 20 53.920464 19 57.035313 19 61.91053 23 61.986645 93 62.057304 25 62.967518 21 67.254929 20 68.790611 18 71.047966 39 74.031609 29 74.313591 18 76.167824 18 78.959496 17 81.034691 23 82.51899 18 84.306282 19 85.029663 40 87.007652 24 88.546158 18 89.023109 20 92.456154 27 96.839096 19 96.919441 18 96.959404 3079 97.668869 21 97.96022 39 98.234665 35 98.814552 36 98.957855 152 99.045593 39 99.054802 20 109.030281 19 110.958122 17 115.037224 50 116.923889 20 118.884369 18 122.372643 21 125.02449 20 125.936493 18 127.60125 18 128.955933 19 131.105576 18 135.903381 19 139.493271 22 144.074707 21 146.966217 19 153.053314 18 157.086288 69 159.392792 18 159.994583 19 164.902191 26 166.084335 20 167.031143 17 167.866257 18 168.435287 24 169.93277 17 170.504761 18 170.980362 20 171.007599 37 171.918243 21 175.096786 529 176.099136 45 177.105209 20 177.167648 20 185.940872 18 194.522232 23 195.131592 24 195.851288 23 197.449371 17 201.124649 18 202.377045 31 205.909164 18 217.03096 20 221.060638 75 228.71257 18 238.853333 19 240.085358 24 240.94783 26 254.393951 26 255.053787 1054 255.227356 41 256.057983 297.330536 257.045929 96 258.055481 36 258.300568 18 259.012634 28 265.138153 59 274.460236 34 298.133789 30 303.659698 23 310.090942 19 322.450012 17 334.115906 25 343.234131 18 348.215698 18 348.562653 24 350.166351 23 357.44339 21 361.060272 17 361.280975 25 361.727539 18 389.273804 20 411.904694 36 421.671509 18 462.618866 20 467.873505 18 472.152313 20 483.010834 18 543.082703 19 558.132324 17 576.156555 24 578.135498 17 583.135376 20 588.66156 27 605.046387 17 654.259033 17 658.714233 26 686.598694 18 714.256042 18 718.42395 17 720.177979 18 726.106812 29 769.538574 19 793.196655 17 811.885071 20 822.276855 20 830.275635 21 848.449219 23 854.065002 18 856.138794 17 937.284119 18 955.551147 23 967.74408 22 992.285278 20 992.819275 19 1046.349243 23 1051.23291 20 1103.136963 18 1104.35083 18 1126.067261 18 1159.241577 18 1182.36853 18 1184.439697 18 END IONS BEGIN IONS FEATURE_ID=185 FEATURELIST_FEATURE_ID=Aligned feature list peak:185 MSLEVEL=2 RTINSECONDS=250.46 PEPMASS=610.12542 CHARGE=-1 FEATURE_MS1_HEIGHT=8.35E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:1398"] SCANS=185 Num peaks=173 55.621227 18 60.648735 17 61.987614 644 62.145325 18 64.608818 18 66.105728 18 71.015465 17 75.011276 22 75.225479 18 81.339348 18 85.269913 18 87.011749 22 89.023697 72 90.357635 20 92.449333 20 99.17617 18 101.023415 75 103.266838 18 103.881485 19 105.947227 18 106.106506 21 106.434891 22 108.680214 20 110.897179 22 111.007301 23 113.018867 24 113.064072 19 114.030968 18 115.001862 101 116.922958 18 117.06488 20 119.032928 20 121.076889 18 121.893913 24 126.997353 51 129.252762 18 133.063324 45 135.032074 65 136.981155 17 139.001801 22 143.05455 27 144.11203 20 145.38414 21 146.963638 19 147.033737 20 147.062332 18 150.142136 19 150.230286 20 150.289978 22 153.441635 20 157.017761 20 159.082626 18 160.049805 18 161.040009 22 161.065491 41 172.541534 23 173.065063 51 175.024078 1295.022949 175.126678 17 175.522827 17 176.032852 149 177.03125 66 177.057159 115 179.054672 157 183.250183 23 185.096848 18 187.03479 17 187.053879 37 187.069885 30 187.721542 20 188.940903 26 190.780777 24 193.054642 18 201.05658 19 203.403259 18 205.05101 179 206.053558 68 209.089523 18 211.383163 18 215.040161 17 217.050415 57 218.04744 22 219.07341 23 221.042709 20 224.903809 22 227.284973 17 233.036407 20 233.080307 42 236.879211 28.000002 237.063263 17 245.045044 21 249.039215 769 250.043839 155 256.061707 25 259.044769 18 263.050446 41 264.072693 20 273.036804 20 279.084229 18 279.301575 22 291.051208 18 294.747589 19 295.0755 18 295.831818 20 300.020782 39 301.033752 61 303.075653 18 305.066986 65 307.04541 375 308.041565 20 309.052704 17 312.162933 18 321.945984 17 323.069977 207 324.079407 36 326.81546 17 332.418365 20 336.019989 18 343.047028 18 349.060211 39 351.067261 20 363.128571 18 367.066895 188 368.064758 19 387.14386 17 403.928711 20 427.407959 24 429.103058 76 431.975861 19 435.263947 18 446.324402 26 459.925446 17 462.013397 27 463.971954 18 465.822235 22 480.131622 18 483.194672 23 487.104187 19 493.067993 20 502.109161 18 507.169006 18 532.206604 20 547.659729 20 560.293213 18 566.218445 18 567.164673 22 586.182739 17 609.138306 62 610.125183 963 611.137085 235.690338 612.143616 59 612.24054 17 612.35553 19 613.116394 36 620.207336 20 623.653015 28 628.075806 18 641.292114 22 642.250488 17 642.756958 18 667.898865 18 688.789124 17 693.177063 19 702.266479 18 756.246155 18 773.681824 18 956.269104 18 1003.645325 25 1069.301514 21 1090.17395 18 1099.07312 20 1133.388794 18 1155.256226 18 END IONS BEGIN IONS FEATURE_ID=186 FEATURELIST_FEATURE_ID=Aligned feature list peak:186 MSLEVEL=2 RTINSECONDS=255.17 PEPMASS=130.08674 FEATURE_MS1_HEIGHT=1.06E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8:1312"] SCANS=186 Num peaks=106 54.478142 24 54.527828 17 56.334469 18 57.920059 22 61.781471 19 61.984535 18 63.666504 18 65.080879 26 67.049324 24 68.778496 17 71.011345 135 72.992813 17 80.296875 18 82.069519 68 82.410629 22 87.046532 17 88.223679 27 88.499588 20 89.025307 27 93.200371 22 98.940804 18 99.927963 18 100.934158 18 100.990059 26 108.268478 17 112.194031 27 112.47422 19 115.003899 498 115.923401 18 118.158813 17 121.965775 17 127.463905 18 130.087097 2996 131.069168 49 131.089767 286 133.014572 211.607544 134.533722 18 138.813171 20 142.670074 22 144.65065 20 156.090454 27 157.803238 29 158.242401 17 159.694031 32 160.54628 18 162.904465 24 169.831024 18 196.250839 19 197.549377 21 199.931824 17 201.159714 18 205.09111 36 217.027664 17 218.537308 22 223.143402 29 227.176651 22 230.260193 21 237.660278 17 240.580002 18 245.077087 22 263.987183 20 265.415985 17 267.562195 18 277.878632 19 280.814789 18 298.321014 30 298.630554 18 317.163605 18 318.605377 18 322.647949 19 331.717499 18 343.006592 18 344.272217 23 351.421173 17 375.916595 23 393.770264 20 394.568939 18 421.750214 22 452.094879 18 454.655823 20 454.817993 20 458.280365 19 467.982971 18 470.190491 26 470.553162 18 483.048462 20 486.608704 18 490.352325 25 512.551331 18 528.201172 21 545.731628 18 551.032471 18 554.293518 18 580.198364 17 584.472046 23 642.20752 17 646.236511 20 686.318054 19 708.945557 18 746.029114 20 826.855835 17 885.188416 19 1017.72406 18 1077.106445 17 1097.411621 17 1151.21228 18 END IONS BEGIN IONS FEATURE_ID=187 FEATURELIST_FEATURE_ID=Aligned feature list peak:187 MSLEVEL=2 RTINSECONDS=258.84 PEPMASS=438.12521 CHARGE=-1 FEATURE_MS1_HEIGHT=4.185E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:1461"] SCANS=187 Num peaks=198 50.371407 18 50.720596 35 51.034588 21 51.707008 22 53.776115 19 56.02927 36 59.566292 20 60.142689 32 61.753246 17 61.987633 2454 62.054417 18 62.189705 18 62.540947 38 62.984692 36 63.295219 31 63.619312 18 69.344543 18 74.466881 33 75.027939 27 76.757896 17 78.25631 18 78.408211 18 78.682693 21 81.031723 18 81.753685 18 85.162582 18 85.690529 18 86.527496 21 87.274368 18 90.056252 18 97.00563 37 100.510078 18 104.467514 19 106.658676 17 111.07193 20 111.350357 24 112.682594 23 113.02005 18 114.007996 28 114.035507 45 115.629356 30 116.929665 22 118.827408 18 118.941452 19 119.037079 38 121.231911 17 125.027809 20 127.047577 18 131.118851 22 138.059082 28 138.44397 29 140.899612 21 140.927811 17 142.281326 19 146.969086 38 149.862564 29 150.961182 18 155.55983 21 156.082092 22 157.036407 43 158.558945 18 162.049301 18 163.034317 29.999998 163.942535 18 166.050308 38 167.955032 20 168.023102 22 170.850403 18 170.968262 21 176.681885 20 180.066696 21 183.050507 22 186.250916 22 187.073608 26 187.0914 18 188.0681 20 190.041336 27 192.983856 30 198.75853 21 199.087082 18 206.078171 24 206.571945 27 210.955673 17 211.030243 23 216.350174 18 217.43248 32 217.878891 17 218.150162 26 219.073349 20 220.020493 19 224.396301 19 225.513123 18 228.182816 17 231.125183 20 234.082123 25 234.10614 33 239.886688 18 240.067566 22 240.785522 17 243.054901 26 246.356689 20 247.029892 18 253.30899 18 259.064301 19 268.329468 18 268.734253 19 271.793182 25 272.025299 27 274.074646 52 274.216705 17 282.106232 64 283.111267 22 284.061462 44 289.047058 28 298.596802 18 299.942596 22 302.918976 20 308.159698 29 309.139435 20 309.929443 18 310.83139 17 315.597717 17 324.088837 25 325.186981 27 325.223602 20 328.875641 19 332.120514 18 333.088135 21 339.190308 25 340.112823 18 340.583405 17 353.995911 20 362.235535 18 366.822083 20 384.441895 20.999998 390.164307 19 391.1091 45 396.325562 18 411.117493 20 423.949188 19 430.421112 21 438.126556 808 438.449738 18 439.13327 139 440.375977 18 441.207458 17 445.999512 18 457.293182 23 459.069519 32 507.769623 18 541.239197 24 542.186646 20 547.133179 18 560.14032 17 563.160706 17 592.116333 25 593.166199 56.000004 594.175598 47 615.158142 18 621.989441 18 625.233459 25 635.20697 18 639.484558 18 639.611389 21 656.147644 19 676.981628 18 681.214722 21 687.401611 34 688.983154 22 713.300842 23 739.665161 22 741.17334 18 741.226013 18 758.310974 18 767.503418 22 786.80896 19 812.249451 19 818.457031 18 832.121826 18 835.335144 24 837.031799 18 839.795898 18 869.241516 19 912.174438 20 966.268677 18 983.211792 20 1013.281311 20 1015.290833 23 1039.703003 24 1040.207153 18 1052.072754 18 1060.714722 17 1074.150513 26 1087.726929 26 1112.394653 20 1115.588135 20 1140.244385 19 1185.695557 18 END IONS BEGIN IONS FEATURE_ID=188 FEATURELIST_FEATURE_ID=Aligned feature list peak:188 MSLEVEL=2 RTINSECONDS=261.02 PEPMASS=157.03625 FEATURE_MS1_HEIGHT=1.326E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8:1327"] SCANS=188 Num peaks=107 53.321819 22 53.410427 38 54.05056 21 54.209564 22 56.81535 21 57.335583 20 59.024414 206 71.023918 772.65741 71.426888 20 72.009041 46 72.02449 21 72.671394 21 76.504921 21 82.312599 22 87.300179 28 93.013077 23 93.335793 50 96.831367 23 97.003693 8353.24707 97.795876 20 97.86467 20 97.89624 22 98.007919 380 98.131752 18 99.010185 51 100.246567 25 103.241959 18 112.434242 20 113.91832 18 113.93689 18 114.030228 7064.674805 114.210663 18 114.941681 22 114.966309 29 115.032112 447 115.102272 19 115.604607 23 115.747131 18 116.03463 56 116.091011 21 118.479645 25 122.674622 17 124.799294 18 129.853638 22 129.988251 20 133.27388 33 137.378433 19 139.043427 20 140.010788 434 141.008682 39 141.872177 20 142.159378 17 143.037872 30 144.999298 18 148.408234 18 151.952866 25 154.723267 22 156.89473 107 156.989471 22 157.035538 1689 157.486435 20 158.041534 107 159.029236 19.44878 159.043777 27.55122 159.05899 19 159.895447 29 160.886383 18 168.051788 20 173.166031 38 177.739914 24 178.567963 22 180.041962 20 182.229126 20 184.045715 22 199.757523 34 205.354416 19 217.384079 20 220.032974 36 240.472183 18 241.441437 32 258.598083 18 283.078949 41 291.693573 20 295.631165 19 307.396881 17 314.521637 18 315.085663 18 320.426544 60 325.068298 55 329.897247 17 460.108002 17 478.591583 22 485.558411 31 492.659637 28 555.922607 20 606.713928 28 691.235779 23 831.004089 18 847.735657 18 876.207458 18 945.017822 23 1039.358521 34 1065.233032 20 1079.442017 20 1140.206421 18 1144.176147 24 1166.650635 26 END IONS BEGIN IONS FEATURE_ID=189 FEATURELIST_FEATURE_ID=Aligned feature list peak:189 MSLEVEL=2 RTINSECONDS=262.37 PEPMASS=543.15742 CHARGE=-1 FEATURE_MS1_HEIGHT=1.151E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:1492"] SCANS=189 Num peaks=88 50.425041 17 53.254982 18 74.283508 29 78.961662 26 84.009308 20 96.020218 133 97.008476 19 101.019554 21 102.541908 18 111.918015 25 120.269821 18 123.010063 24 123.030823 18 124.014763 942 125.016121 26 127.079628 18 143.071503 17 149.842789 18 164.606705 19 164.620926 22 166.013458 73 166.053894 746 166.918396 30 167.02066 24544 167.059479 89.144432 167.114136 17 167.355331 26 167.541946 21 167.764771 25 167.836456 18 168.022766 1912 168.055084 22 168.121124 35 168.351761 18 168.520355 18 168.644363 20 169.024338 309 170.99472 23 171.72493 18 172.025925 18 172.07814 18 176.043915 20 185.046677 17 199.981003 23 207.379059 26 216.885178 23 219.993393 18 224.301392 21 225.164093 20 238.568878 18 238.947998 24 242.013107 34 244.911102 26 253.090591 20 259.033417 22 262.835083 31 263.141052 20 266.121674 20 269.158051 18 273.934448 20 283.04892 17 291.665955 19 297.172302 20 299.020447 20 300.742096 20 311.174652 75 325.186401 18 335.0495 79 339.112061 40 342.338715 23 362.94754 18 363.359528 26 371.059875 22 377.190399 21 378.115936 20 451.987305 22 462.307404 17 475.056091 19 483.0867 18 487.021454 18 495.048676 18 501.02124 21 542.210144 20 543.149658 21 606.351257 18 625.473145 23 921.29425 21 1019.999084 24 END IONS BEGIN IONS FEATURE_ID=190 FEATURELIST_FEATURE_ID=Aligned feature list peak:190 MSLEVEL=2 RTINSECONDS=262.61 PEPMASS=151.06078 FEATURE_MS1_HEIGHT=1.7E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8:1359"] SCANS=190 Num peaks=71 55.01685 38 59.013248 1256.10498 59.485271 18 59.847595 18 60.017353 46 60.814877 18 61.016891 18 69.034218 80 69.431419 22 71.013199 1969.305786 71.257347 18 71.50573 17 72.018646 76 73.029266 452 73.261665 39 74.034103 49 79.018097 38 79.961403 36 80.236961 18 81.048279 19 83.011192 53 85.028603 215 89.023895 1694.846802 90.026688 101 91.039658 23 91.864128 20 97.030655 131 101.024391 994.727417 101.337593 25 102.022125 18 102.489235 21 103.034996 40 105.021896 21 111.180145 20 113.023415 78 119.033066 252 125.0774 19 127.628922 31 131.034744 80 133.046448 34 144.236145 24 150.965805 18 151.059784 2486 151.348999 62 152.063568 139 153.064438 22 154.022049 20 164.123917 20 170.896057 37 184.022491 25 186.565674 18 191.041306 18 218.307175 24 219.375244 18 219.540237 33 246.55162 21 249.305222 17 262.740814 22 265.546722 18 278.295319 45 324.530731 18 335.050995 21 351.038513 24 364.129272 18 388.399292 33 429.572449 17 439.01947 22 457.589325 22 717.727417 34 998.856445 18 1019.555664 20 END IONS BEGIN IONS FEATURE_ID=191 FEATURELIST_FEATURE_ID=Aligned feature list peak:191 MSLEVEL=2 RTINSECONDS=262.67 PEPMASS=335.04898 CHARGE=-1 FEATURE_MS1_HEIGHT=1.86E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8:1368"] SCANS=191 Num peaks=277 52.014328 21 52.088047 18 52.719452 18 53.104988 26 53.165699 21 54.936043 18 57.462307 25 59.012066 25 59.63805 18 60.799694 39 61.450695 46 61.610001 30 63.177376 19 65.259888 18 67.397888 18 67.633522 23 67.909767 26 68.026764 19 68.295456 29.000002 68.708519 17 68.971283 17 69.008865 314 69.510429 28 72.619583 18 73.079315 18 73.411064 19 73.460014 24 77.11821 21 79.865242 18 80.962448 20 80.974907 23 81.154037 20 85.052643 20 85.62336 19 87.008972 18 91.672592 23 93.508293 20 95.783524 22 96.019463 1310.469604 96.116302 19 97.00647 241 97.026344 48 97.55275 20 97.908958 20 98.789955 22 98.957306 25 99.930626 18 103.686867 18 106.857681 20 107.343155 19 107.369003 17 108.629478 20 109.535927 25 111.40255 18 113.023422 19 114.027039 18 114.475136 19 115.000816 19 115.67495 24 116.533279 50 116.928574 35 117.021103 26 118.890076 19 119.015625 18 120.446655 21 121.985596 18 122.715012 20 123.031387 178 123.060738 25 123.46244 21 123.533127 18 123.819878 17 123.888374 20 124.014908 12023.083984 125.016541 967.713135 125.401566 18 125.948044 21 126.021561 66 126.042877 20 127.248741 20 129.542679 25 132.981842 21 134.314484 18 135.425613 21 139.041183 24 141.552612 24 143.788559 17 145.049286 24 147.899384 18 149.00592 36 151.138718 18 154.069244 18 154.22937 29 154.810501 18 154.940811 20 155.286041 22 157.037018 76 158.049164 21 158.521729 33 159.048523 78 161.91272 20 163.616928 20 164.532425 18 164.590958 61 164.740356 18 166.011887 115 166.055099 99 166.132797 22 166.586899 20 166.798355 20 166.820618 20 166.85054 17 166.900757 23 166.962891 18 166.979385 22 167.021027 86244.640625 167.053772 37 167.079773 2976 167.169327 80 167.206421 18 167.339722 18 167.353531 22 167.559326 38 167.733734 33 167.804596 18 167.83432 43 167.878616 18 167.932419 18 167.96228 20 168.023315 7319.708984 168.09462 22.993279 168.108856 29.006721 168.155945 42 168.215393 22 168.228973 18 168.287125 54 168.34993 19 168.492538 30 168.509445 40 168.686783 21 168.900925 22 168.939484 20 168.963547 35 169.025482 814 169.15918 17 169.186874 17 169.468597 20 169.710907 18 169.86409 27 170.024292 48 170.052582 48 170.328995 18 170.463791 18 170.73558 20 171.314209 22 171.374649 26 171.624619 20 172.079361 22 172.528732 18 172.923294 18 173.008957 17 173.384232 17 176.03125 20 176.05867 133 176.757904 18 177.060577 128 178.565582 18 179.36499 22 182.357986 18 183.009369 18 184.575562 18 184.955978 21 194.95343 18 197.965271 37 198.149948 18 198.562546 18 199.886597 30 200.736084 20 207.881165 20 211.037827 22 211.590637 27 213.014084 34 216.923828 22 217.98996 50 219.074997 56 219.971985 19 220.605484 26 222.174194 86 222.565353 19 225.04039 17 229.538284 26 235.00856 17 235.996246 44 239.122406 26 240.769226 21 244.931732 18 246.558792 22 248.591843 18 249.078415 80 252.017319 22 252.94812 18 255.139267 20 258.060699 22 261.079041 33 266.949188 25 267.392822 21 275.041931 20 288.418457 21 289.988953 20 290.559509 33 293.0495 19 295.505676 18 295.885498 18 296.236725 18 297.223053 20 298.073883 20 300.952911 20 303.023804 17 309.037964 18 309.947998 18 333.294739 17 335.050995 935.606567 336.050476 68 337.050995 19 337.187805 38 338.103729 36 338.126709 24 338.190704 26 339.111816 57 339.200439 118 344.142181 26.000002 345.993652 22 349.114563 21 356.332947 20 357.040527 25 366.887421 18 384.233429 22 389.979126 18 391.984344 20 406.378326 20 409.100555 18 425.788025 22 427.954193 23 438.133698 20 445.495605 22 473.088867 20 481.61853 23 485.654907 25 488.258179 20 503.071228 43 505.361755 21 505.981171 22 557.017273 20 585.683655 22 596.507263 27 598.999573 20 671.102234 23 708.272644 20 710.109985 30 773.969543 18 788.832153 18 793.108765 28 817.31073 18 845.319824 25 867.070801 26 893.085144 20 997.557556 17 1024.041382 26 1033.181396 18 1054.361206 18 1062.53894 18 1071.449707 18 1085.10022 18 1134.204834 27 1166.023071 30 1179.35144 22 1191.183594 31 END IONS BEGIN IONS FEATURE_ID=192 FEATURELIST_FEATURE_ID=Aligned feature list peak:192 MSLEVEL=2 RTINSECONDS=262.74 PEPMASS=167.02074 CHARGE=-1 FEATURE_MS1_HEIGHT=1.182E6 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8:1358"] SCANS=192 Num peaks=174 50.661785 18 51.468243 25 52.001083 18 54.947163 22 56.667095 29 57.917023 25.999998 60.898571 18 64.402 22 66.525894 22 68.023766 62 69.008781 674 69.031265 24 70.01429 20 70.4571 26 71.007286 18 71.245018 20 71.994926 29 74.585114 22 75.565956 28 75.620651 20 78.870369 18 79.95565 107 80.333313 18 81.007751 106 81.065262 18 82.013542 19 82.219826 36 83.855347 21 85.950294 34 89.698784 20 90.623337 17 90.63343 21.782652 95.146141 20 95.218376 27 95.937302 30 96.019295 3797.363281 96.68277 18 96.903603 18 97.004387 804.368958 97.024216 25.133259 97.056137 18 98.0075 23 98.196991 20 99.002762 21 99.046967 22 103.243851 17 105.999725 20 106.118416 26 107.8256 20 108.550888 18 111.111938 18 112.113441 22 115.143417 17 119.716522 18 121.537506 18 121.994232 18 122.027359 26 122.260178 32 123.006462 113 123.029259 158 123.424683 17 123.879951 23 123.917831 24 124.014595 15755.43457 124.33374 17 124.607811 19 125.018227 758 125.364098 18 125.963997 20 126.021393 100 126.564156 18 127.924423 27 128.908798 31 132.431351 40 134.806488 22 137.546585 17 139.023529 18 141.018982 47 145.902603 28 146.744812 18 156.414688 20 156.801849 20 157.040237 17 157.512558 26 161.581528 19 163.516876 18 166.009659 63 166.049286 159.035583 166.791428 17 167.020874 17478 167.061951 18 167.081528 93 168.023193 1341 168.217377 19 168.338394 18 168.850937 22 168.873184 18 168.985657 25 169.02478 182.950668 169.054886 50.465805 169.658661 25 170.024246 23 170.050873 20 170.414352 22 174.059372 20 178.300705 31 181.124313 18 185.972427 17 192.768204 19 200.898422 17 214.976959 22 219.54216 22 220.271164 43 221.814728 28 225.029785 22 225.693497 18 229.7686 26 235.082748 21 242.48204 17 245.236404 18 248.985992 20 262.172729 19 262.460175 29 288.588287 18 289.745667 18 290.469879 18 290.816162 20 297.149261 18 299.528839 20 300.079407 31 311.111237 20 318.286865 28 327.173676 18 335.047913 229 337.065186 17 338.297302 34 354.326843 28 371.252136 20 397.123657 18 416.946381 26 438.12793 18 440.836639 18 449.852173 18 458.753235 20 497.190094 22 503.075317 89 515.572693 21 534.103027 18 539.589233 35 541.229858 29 719.377197 18 725.052612 25 758.00592 39 771.982971 20 796.621094 18 806.555786 18 816.477417 18 828.004883 28 839.124268 25 904.19342 17 922.865845 17 928.146973 21 935.141907 18 939.374939 18 945.160706 17 972.200806 19 984.096008 19 1010.609436 34 1053.10437 18 1054.651855 18 1075.194702 18 1127.30957 20 1137.294678 29 1184.228027 18 END IONS BEGIN IONS FEATURE_ID=193 FEATURELIST_FEATURE_ID=Aligned feature list peak:193 MSLEVEL=2 RTINSECONDS=262.87 PEPMASS=421.13479 CHARGE=-1 FEATURE_MS1_HEIGHT=1.717E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:1496"] SCANS=193 Num peaks=214 50.97171 21 55.016922 18 58.004707 37 58.25172 19 59.013016 1091 59.444424 18 60.016689 77 60.74559 18 60.968681 18 67.767601 20 69.067818 20 70.270401 18 71.013344 1269 71.216309 18 72.017052 40 72.250336 18 73.032288 33 74.032173 23 74.78994 19 77.423775 18 83.012962 20 83.675102 20 85.030037 46 87.003731 27 87.044296 21 88.364624 18 89.023727 3916 90.027519 158 92.073372 25 93.664833 20 93.985077 21 94.82843 18 95.014069 149 96.960632 29 101.023933 1492 102.029381 109 103.027451 43 108.272087 18 108.316483 23 110.136658 21 113.023575 1248 114.029045 115 114.378067 23 115.115891 18 118.194572 20 119.033897 1866.547485 119.187904 22 120.036552 118 120.378258 18 121.040924 22 121.069107 61 122.119568 24 123.249962 22 125.021469 42 125.446701 17 125.940254 18 129.051743 19 131.034378 245 131.197968 30 132.041641 20 133.059769 18 133.255371 18 133.836884 20 138.993332 18 141.019623 19 143.034744 367 143.550873 18 144.034164 23 148.975906 21 149.046799 393 153.208023 21 153.934082 24 154.056976 50 154.944763 18 158.428772 23 161.045792 769.240356 161.632233 42 161.786911 17 162.046295 40 162.98497 25 164.764847 31 164.982254 26 165.050156 20 167.016663 22 167.949463 22 168.034851 17 168.104294 18 168.377274 20 172.658951 18 172.845703 29 178.697952 18 178.979279 18 179.055344 4894 179.086319 39 179.311646 20 179.471497 20 180.058502 248 180.200577 18 180.740509 18 181.062866 76 181.926743 18 181.96373 38 182.063126 28 184.241302 25 184.332825 18 187.071503 47 187.095703 38 187.260956 25 188.164215 18 189.837479 17 195.063675 40 197.054321 26 197.959381 264 198.956726 23 199.04892 22 201.549896 18 203.080627 52 203.955734 18 205.931595 18 207.043732 18 207.990616 17 210.398911 22 211.938858 24 213.814407 23 214.500366 18 220.908142 17 221.051941 22 223.968857 28 224.051025 20 225.066132 45 225.9552 162 227.975662 55 228.96701 20 230.013367 22 233.687805 20 237.065826 18 243.085434 20 245.642746 18 250.047409 18 253.034821 20 253.987839 22 254.934402 25 255.030685 18 256.96225 35 257.302887 18 257.982452 22 265.162903 42 265.702759 17 266.946228 18 290.378967 21 291.094971 23 292.583557 18 293.200623 32 293.900818 17 300.320007 19 306.464539 25 313.649445 17 314.882721 24 315.105225 63 315.978058 56 321.554474 17 331.16098 20 332.126038 22 334.079071 26 335.052704 58 335.083405 34 335.184601 21 335.402405 18 340.609528 31 342.633026 24 355.118042 18 355.214752 37 372.421326 51 372.720978 22 375.127106 112 376.123169 24 380.416595 20 391.419159 18 393.172668 25 397.494171 20 421.133209 442 422.137726 136 424.034088 144 424.111816 21 424.612488 18 425.372314 17 455.156982 21 461.107117 22 469.949493 18 476.887085 22 499.18985 24 506.523041 18 517.287842 18 522.397095 20 531.382874 21 543.141113 17 573.467041 18 598.502747 25 636.670349 24 637.509644 18 638.574524 20 745.167786 21 763.228088 21.000002 774.749634 20 787.24292 17 853.257385 22 861.275452 21 893.154236 24 897.779541 19 997.180481 43 1034.320557 18 1099.047729 20 1160.420532 23 1184.348145 18 END IONS BEGIN IONS FEATURE_ID=194 FEATURELIST_FEATURE_ID=Aligned feature list peak:194 MSLEVEL=2 RTINSECONDS=263.72 PEPMASS=438.12494 CHARGE=-1 FEATURE_MS1_HEIGHT=3.274E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:1491"] SCANS=194 Num peaks=213 50.635151 20 51.605125 18 51.644196 18 51.695461 17 51.795673 18 53.219601 18 53.809994 23 55.611843 17 56.18483 20 58.940308 23 60.013103 18 61.013962 19 61.98719 4220 62.127251 25 62.39809 18 62.477486 17 62.707142 20 62.884357 25 62.969872 20 62.993786 25 63.168419 20 63.541092 20 64.554283 18 65.491707 18 66.047134 17 67.153679 22 68.052574 21 68.565445 29 70.93927 20 75.628754 27 76.267853 17 78.092873 18 83.76561 18 84.475342 21 84.739685 24 86.404884 18 89.076729 20 90.583145 21 91.84903 20 91.902382 18 93.880486 18 95.694267 18 96.560135 20 100.932945 25 109.06073 21 111.936134 19 113.527466 18 113.834595 18 114.774117 20 115.462715 26 116.746201 19 118.55114 18 123.254852 31 123.488747 20 124.788628 19 126.446289 17 131.354218 17 133.013748 45 137.302994 19 137.583572 18 137.804428 26 141.817383 24 142.238052 19 142.71376 20 142.945053 18 144.04808 18 144.44101 25 145.218643 34 146.707077 30.999998 148.04129 19 157.037628 18 159.619202 18 160.888351 25 161.568466 22 163.503311 18 165.0578 18 166.503815 21 167.022949 230 168.024399 23 171.072495 45 173.489883 19 177.363205 20 177.554611 42 179.050659 20 182.245499 19 184.501923 23 188.950745 18 190.777573 18 191.785416 20 193.965698 18 197.185455 22 200.742706 19 202.017532 18 203.713379 18 205.18396 20 209.127548 18 209.582062 38 211.112625 20 216.008728 25 218.603104 28 218.640686 18 219.599258 18 219.657013 18 221.47673 20 225.674759 36 226.497238 18 226.980164 18 227.754929 18 227.967789 18 229.51796 18 230.114639 20 231.165787 25 234.042969 17 235.310303 35 240.051514 50 246.818298 18 248.074112 24 250.334854 26 258.063507 37 262.031219 17 266.98941 23 273.024689 24 273.097412 18 279.129639 19 282.554993 23 286.978577 18 289.023865 24 293.659271 17 296.174438 21 296.236908 22 300.046417 21 301.064667 19 303.056732 30 305.695099 18 314.44046 18 320.945557 20 326.439545 29 335.050568 119 336.040985 18 336.066833 18 337.05484 22 340.648163 23 342.187378 25 347.049286 26 363.917847 25 364.038116 27 376.251495 18 387.775574 22 395.139862 18 421.061157 18 421.143982 36 421.489777 24 427.821503 19 438.124908 777 439.125183 95 439.9375 24 440.132355 20 440.251678 27 441.130188 20 441.238678 37 451.505005 20 457.741119 21 462.246765 42 479.190918 20 485.090546 18 487.11795 21 493.839264 17 502.198364 24 505.798218 18 519.941345 18 534.183289 78 543.150208 20 544.158447 17 545.159485 19 560.648254 17 563.852661 26 579.221191 34 582.641846 26.000002 586.194702 18 612.105591 18 613.500061 22 627.976624 19 658.248718 17 663.420532 22 667.80011 18 716.279541 22 741.23468 19 749.257568 21 762.21106 20 777.151489 17 787.806641 19 789.956177 32 797.286194 18 800.29126 50 815.248413 20 873.55658 21 925.251465 19 945.349792 20 962.124268 28 963.098877 18 986.210815 25 1010.281494 21 1032.308228 18 1036.341797 18 1060.375122 19 1117.272217 25 1124.054077 21 1141.800781 20 1146.063965 22 1155.333374 26 1169.271606 18 1186.258179 19 1193.762939 17 END IONS BEGIN IONS FEATURE_ID=195 FEATURELIST_FEATURE_ID=Aligned feature list peak:195 MSLEVEL=2 RTINSECONDS=264.85 PEPMASS=203.08205 FEATURE_MS1_HEIGHT=6.262E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8:1245"] SCANS=195 Num peaks=125 51.571987 19 54.140354 29 54.668034 17 55.361462 20 71.222839 17 74.025208 453 75.025856 47 75.547997 18 76.125092 18 76.393341 18 77.873573 18 97.695053 18 99.683205 22 105.55822 18 108.583282 17 111.00721 17 112.926483 18 113.943878 20 114.021736 20 115.016899 18 116.051407 1449 117.052757 91 118.057098 18 118.114609 18 118.833038 24 125.025536 36 126.209053 20 129.057892 20 130.06424 18 132.077209 21 132.148224 18 140.192383 25 141.884384 18 142.065964 485 143.070892 138 143.179413 20 144.071136 25 151.036835 20 159.093323 120 160.098282 60 160.71637 20 161.051239 18 163.013199 18 166.440781 17 169.68985 19 175.4711 17 178.243835 22 181.064346 21 185.069504 18 186.053909 76 187.052292 25 187.069061 22 189.020004 18 196.030457 18 201.072632 19 203.083328 837 204.087509 96 205.095932 24 206.998352 20 207.018936 55 216.362137 20 221.324966 20 222.999481 23 227.362335 20 230.017044 18 230.073868 21 234.953629 17 246.106003 18 283.073578 18 286.40094 25 289.174469 18 291.016785 17 293.646912 18 305.808746 18 316.035309 17 318.857178 19 322.285736 22 327.155518 18 331.339233 36 334.448883 18 335.04895 49 337.91803 24 353.917542 18 354.183228 37 356.785522 19 369.832397 18 376.422607 25 381.821442 17 382.186127 17 407.923492 18 416.899536 18 433.674377 21 457.582428 18 465.618835 22 475.686432 18 477.09256 17 499.178894 18 500.133148 17 510.016327 19 516.211487 24 521.674622 21 534.531494 18 538.853516 35 549.119873 19 608.621155 17 664.870911 18 687.754211 17 688.345154 22 728.997314 20 751.013306 22.999998 760.290649 18 806.456482 18 817.063293 27 821.019104 18 866.175903 18 888.623291 17 917.14325 24 943.187195 18 956.586182 28 1128.379272 37 1137.375366 20 1140.406372 20 1151.445679 19 1152.136353 18 1180.370972 22 END IONS BEGIN IONS FEATURE_ID=196 FEATURELIST_FEATURE_ID=Aligned feature list peak:196 MSLEVEL=2 RTINSECONDS=273.41 PEPMASS=282.08365 CHARGE=-1 FEATURE_MS1_HEIGHT=1.375E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8:1438"] SCANS=196 Num peaks=163 57.653278 18 58.841949 27 59.214062 20 60.810719 22 61.706371 40 61.988976 66 62.785454 32 62.982159 17 65.999115 22 66.010689 18 66.317841 20 67.004784 18 67.68071 18 69.519936 18 70.557716 18 71.012444 21 77.15316 30 78.012047 37 78.968414 36 82.040695 64 82.17849 18 85.254478 18 85.632042 18 86.883255 19 87.007805 371.523743 87.201202 17 90.609276 18 91.290817 21 91.739532 49 92.393181 22 93.656319 18 95.108284 21 95.515442 18 96.053619 18 97.053459 18 98.52861 60 99.994781 18 101.276848 20 103.005249 21 105.018471 36 105.299896 18 105.375931 33 106.02919 18 107.03669 277 107.405632 17 107.585381 18 107.935417 17 108.019722 672.416321 108.038422 50.583702 109.028084 18 109.978218 22 110.066032 18 111.041107 19 113.982193 18 114.134659 18 119.556839 21 120.217186 24 120.975746 18 122.040199 23 122.897102 20 122.974068 18 123.016838 28 124.832527 23 125.380043 32 125.599457 21 125.636627 21 126.027199 17 128.587296 18 130.012192 18 131.343323 18 132.836502 18 133.015778 2019.354248 133.593094 22 134.014999 40 135.520523 18 136.467117 17 136.99292 23 144.136383 25 146.960571 48 147.884552 24 148.438141 23 148.972122 24 149.04213 46 150.041534 10337.605469 150.092682 38 150.371384 35 151.044617 880 151.716461 19 152.04628 56 154.291656 33 154.458069 24 154.606674 21 156.615402 40 157.040237 24 158.366119 19 158.639175 18 164.054901 38 164.499069 24 171.839279 17 180.065384 22 180.215973 18 185.236023 18 187.292679 18 190.975601 18 192.355942 18 198.986328 19 210.293121 18 216.251678 21 217.027405 20 220.054367 67 223.02742 22 226.081848 24 234.261856 18 245.846329 18 254.380493 20 259.541443 20 267.070343 17 268.433044 20 278.482117 18 279.712494 19 280.85257 20 281.251373 17 282.084198 2033 283.088745 297.109314 283.262451 17 284.068878 17 284.091309 35 287.134033 22 304.496887 29 305.867401 21 307.000305 18 311.17746 18 322.357178 34 345.089569 45 346.076263 27 348.275757 18 357.76181 18 359.258087 21 384.786499 20 384.970551 25 391.873871 18 394.301392 20 394.889099 20 417.93042 18 424.949799 18 428.229706 22 438.122375 17 442.241608 23 450.888672 21 510.960815 29.999998 585.277161 18 628.172546 40 629.144104 23 629.179565 18 630.202393 23 638.061768 30 893.228149 20 1011.835205 18 1105.547363 28 1135.759277 30 1158.271362 19 1187.519775 26 1193.096069 17 END IONS BEGIN IONS FEATURE_ID=197 FEATURELIST_FEATURE_ID=Aligned feature list peak:197 MSLEVEL=2 RTINSECONDS=273.48 PEPMASS=628.17104 CHARGE=-1 FEATURE_MS1_HEIGHT=8.543E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8:1270"] SCANS=197 Num peaks=195 50.06802 20 50.217953 20 50.304596 21 50.865463 18 51.630409 18 51.751457 37 52.361496 21 52.587879 27 52.96534 22 53.512077 20 53.810696 18 54.95158 18 54.991425 17 55.40303 29 59.55785 18 60.139179 18 61.988247 1981 62.093887 19 62.445042 22 62.970669 21 65.299271 20 65.726189 18 66.211021 18 67.148132 18 69.027817 20 71.452614 46 74.677849 27 75.484512 18 75.844902 19 78.63736 18 83.70607 34 84.530846 26 86.111351 18 86.420547 33 88.247223 18 88.618011 18 92.496948 22 94.270828 23 96.756737 19 97.14888 18 98.128586 23 100.322266 20 102.074837 22 102.755745 18 103.223091 18 105.644966 18 105.918144 23 108.619102 44 112.132301 23 115.288139 18 116.92807 25 117.638733 19 117.927116 20 119.38829 18 119.838829 18 124.97773 26 130.589279 19 136.106949 28 136.979874 18 138.714066 21 139.641068 35 142.730713 21 146.215179 18 146.964005 89 150.049622 20 155.012695 17 156.601288 18 162.94017 40 170.984161 20 181.018417 18 184.888733 17 186.003448 18 186.971603 27 189.262024 18 192.016342 32 194.647995 22 194.903152 22 197.865265 24 201.366135 18 203.34079 24 203.385284 21 203.761368 28.000002 204.339417 18 205.181778 17 206.054169 18 210.483063 56 211.275085 26 211.412628 32 212.153198 34 212.226715 18 213.199478 21 228.011856 24 230.99913 19 235.334457 18 243.11792 17 250.679581 17 252.729279 26 260.934052 18 262.75592 20 264.851288 20 266.734955 18 269.969391 23 277.824127 18 282.084778 306 283.086426 119 284.087036 35 286.044769 24 295.383667 24 306.084015 18 307.667664 20 311.955658 26 313.98291 20 317.802704 17 325.179382 20 338.042603 25 340.745911 39 344.464172 22 345.079834 3814.068359 345.440643 26 345.828003 39 345.985962 18 346.085785 519 347.077423 90 348.080963 18 349.091492 18 359.792542 37 362.485992 18 371.148285 18 378.762756 34 380.220245 22 383.033081 18 399.001587 17 402.750336 41 409.801331 18 410.159241 18 415.04657 19 418.931 18 441.0336 18 443.78302 22 446.039795 18 449.143982 22 452.471558 34 462.882202 21 477.058136 18 483.984619 18 506.926849 21 509.081146 20 511.469849 19 530.250854 18 530.922058 21 542.054077 20 557.807251 18 565.167603 30 566.11554 18 579.257568 19 584.356506 27 588.045776 18 609.048645 25 610.061462 18 618.908752 18 628.16925 118 628.363464 98 629.179016 20 630.178589 34 684.387024 21 688.160889 17 695.071533 24 703.026001 19 708.608887 20 720.980896 18 729.133423 18 735.526428 18 749.177063 18 759.010559 18 767.067871 20 807.39093 17 837.080261 17 869.04541 33 891.036499 18 942.280029 31 972.574402 17 974.976562 18 975.251831 18 975.983582 18 1011.885132 18 1037.179932 18 1043.040771 30 1112.215698 18 1131.38623 20 1136.154541 18 1142.399414 28 1148.333374 20 1178.185669 22 1190.320435 17 1190.593262 18 END IONS BEGIN IONS FEATURE_ID=198 FEATURELIST_FEATURE_ID=Aligned feature list peak:198 MSLEVEL=2 RTINSECONDS=273.89 PEPMASS=144.04478 FEATURE_MS1_HEIGHT=8.222E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8:1574"] SCANS=198 Num peaks=122 58.212322 18 58.904102 23 59.079552 19 59.448261 17 61.987587 96 62.281742 18 65.995079 24 68.333603 18 72.078201 21 78.779541 22 82.440697 18 82.715126 42 83.015747 25 83.724243 18 83.967148 24 85.028008 75 85.308456 24 87.007057 38 88.587524 19 92.428108 17 98.19912 18 99.010986 18 99.928307 21 100.935951 20 101.026108 64 101.604866 27 102.033783 81 103.039009 58 104.043724 22 105.580185 18 106.034142 19 106.125473 18 108.754669 25 109.99633 19 111.303345 17 112.492241 29 115.040985 42 117.233841 23 119.833694 21 125.987152 25 126.899498 18 129.018143 325 132.397186 19 134.807724 30 139.04306 20 140.334442 24 141.974396 23 143.11116 23 144.045151 2865 145.049652 376.312653 145.11412 20 145.152237 22 146.340027 17 146.968948 54 147.026337 99 147.044952 18 148.043289 38 149.693741 22 153.355118 31 156.406891 22 161.063156 23 162.74144 17 171.218231 20 181.263107 17 186.153809 27 187.798004 20 188.193497 18 189.116821 18 194.289474 18 198.438278 18 202.18483 20 208.286392 30 213.04953 18 214.675797 20 228.517288 27 234.865128 35 235.202774 21 243.673874 23 247.982681 23 248.387573 17 268.537811 17 269.704468 20 272.030701 18 274.020203 20 275.735168 20 281.063507 22 286.529663 57 293.223846 17 295.131805 17 297.313171 19 314.346588 17 324.767883 21 325.2883 17 325.507355 18 328.486877 22 335.236481 24 345.072937 24 349.751465 21 355.300964 32 367.105835 21 367.546417 21 389.675812 19 390.481018 19 393.403931 23 395.242584 22 396.535828 21 409.707062 18 424.780334 18 425.609528 25 432.102417 22 438.743011 18 455.286621 18 472.231964 20 554.679871 21 598.957336 18 651.050171 23 682.18927 18 777.713379 29 851.284668 25 946.029968 17 964.189636 17 1078.51001 27 END IONS BEGIN IONS FEATURE_ID=199 FEATURELIST_FEATURE_ID=Aligned feature list peak:199 MSLEVEL=2 RTINSECONDS=273.89 PEPMASS=188.03477 FEATURE_MS1_HEIGHT=6.651E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8:1575"] SCANS=199 Num peaks=92 51.21434 22 54.331062 20 60.098293 19 61.984303 38 65.998192 98 66.995781 18 68.330688 22 71.014404 19 71.88607 18 74.023888 18 82.02639 21 84.042618 24 85.02887 110 87.008072 199 88.014595 26 88.19294 17 96.25515 21 99.009033 17 99.044495 20 100.952034 22 101.440857 19 101.936775 20 102.03376 135 102.946983 80 102.990654 20 103.035713 22 110.045273 18 111.010262 125 113.01841 18 115.043358 22 116.048508 54 117.052284 20 122.892357 21 125.022568 20 125.070961 97 125.098198 18 126.054337 17 127.047806 174 128.041321 37 129.016281 24 135.878784 23 141.12793 17 141.867096 35 143.044098 84.367744 143.067825 40 143.769669 18 144.044601 12026.308594 144.476196 23 144.892746 24 144.953003 18 145.047989 1281.592041 146.051941 88 146.137695 18 147.060638 19 159.991364 35 160.891708 22 162.71167 20 162.892609 20 169.064285 31 187.050873 20 187.074097 68 187.098877 20 188.032639 241 189.033966 37 191.019638 18 191.105179 25 199.1745 26 204.378571 20 210.545776 17 213.629669 18 229.891708 17 254.517044 21 257.212982 18 266.861694 21 280.078888 18 285.53421 31.000002 301.300507 18 319.054535 18 320.915588 25 323.28891 20 355.214111 18 374.555054 19 425.0802 17 463.112976 18 495.214417 19 495.365082 22.999998 499.294678 18 502.062073 22 536.009216 23 711.659424 18 712.519836 17 817.934875 20 END IONS BEGIN IONS FEATURE_ID=200 FEATURELIST_FEATURE_ID=Aligned feature list peak:200 MSLEVEL=2 RTINSECONDS=276.76 PEPMASS=524.12556 FEATURE_MS1_HEIGHT=6.112E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8:1341"] SCANS=200 Num peaks=106 51.649967 19 57.009514 17 57.374016 18 61.987865 672 62.303524 18 67.737297 17 72.665268 17 75.700737 30 80.602936 18 85.222206 22 89.022362 54 93.040855 32 99.739342 20 103.73143 18 105.989059 18 106.86834 20 110.90873 18 114.950813 17 120.660934 18 120.744057 43 122.024849 22 128.05661 18 131.537766 22 131.733734 17 132.617157 18 135.594559 38 137.023544 336 137.86409 17 138.028961 85 142.33815 18 146.963882 120 147.976151 24 152.993225 19 155.030014 26 157.057266 24 161.051224 20 162.933838 35 166.765915 18 175.933472 28 179.033585 47 179.066254 62 179.586548 35 180.05014 18 183.667801 20 188.478455 18 195.912903 18 197.0961 18 197.959854 26 198.128494 20 202.631439 18 203.458069 18 207.224091 20 214.894226 21 216.345108 34 217.102386 20 217.551254 26 225.920135 24 237.351746 18 253.493698 18 254.241013 18 258.164673 17 262.60672 25 267.840637 22 274.686035 20 275.933197 24 299.037964 20 301.208954 18 302.282135 17 311.174255 24 326.074799 28 339.208191 30 341.264862 39 346.650543 18 350.130951 25 355.350952 27 366.444305 22 385.300079 31 387.960022 19 394.426361 20 398.987549 17 406.892578 23 407.008972 17 410.02124 20 413.719666 17 417.29657 18 433.34903 18 445.476074 24 454.01239 18 461.128113 267 461.245483 18 462.138794 98 486.051941 18 500.765259 18 502.533234 20 524.121399 116 525.136292 50 536.217529 18 550.783508 18 625.0896 18 707.015686 27 772.739319 17 783.569153 35 807.234985 18 893.296936 18 910.005005 22 1103.892578 18 END IONS BEGIN IONS FEATURE_ID=201 FEATURELIST_FEATURE_ID=Aligned feature list peak:201 MSLEVEL=2 RTINSECONDS=278.12 PEPMASS=367.10463 FEATURE_MS1_HEIGHT=6.225E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:1614"] SCANS=201 Num peaks=252 50.438927 18 50.492668 18 52.358273 23 52.864006 21 54.208572 20 55.73922 25 60.171967 18 60.497429 18 61.025024 19 61.622578 21 62.268776 17 62.55328 21 66.947044 18 67.417404 22 69.029648 19 69.24366 21 69.314247 19 69.768806 20 71.013695 361 71.40625 20 71.708366 27 74.034325 20 75.175644 46 75.232475 20 75.436966 24 76.631721 23 79.395668 24 79.936264 20 80.222565 22 80.446815 26 80.767509 20 81.031044 18 81.084862 18 81.661171 19 82.374763 28.999998 83.130524 19 84.012344 26 85.031837 89 87.00721 21 87.4338 18 89.021843 19 97.029015 53 99.678818 18 100.008392 22 101.021828 109 102.131065 23 105.963768 20 107.804108 24 107.914879 47 108.309074 23 108.980827 19 109.823288 30 109.902657 20 111.008926 22 112.452003 18 113.02388 930.254761 114.025421 174 115.019958 691 115.041428 22 116.31321 19 118.65509 22 120.058197 20 120.738388 20 122.661423 22 122.777382 22 125.022873 133 125.364441 30 126.021141 18 126.633202 26 127.021698 100 128.768723 26 129.440674 25 130.02533 23 130.086639 26 130.723709 18 132.192184 18 133.031891 85 135.731491 25 136.990112 28 143.032074 56 143.115799 18 144.041656 191.463516 145.02919 140 146.057831 18 146.875061 55 147.023682 25 147.93187 20 148.039062 39 152.357285 18 153.014084 42 156.034592 98 157.031708 305 158.034744 60 160.507156 20 162.788071 26 162.888199 18 162.984848 21 165.038376 18 169.030548 451.756897 170.162354 18 171.037994 19 175.039978 23 175.849426 17 179.045105 44 184.178574 28 184.40419 18 186.046646 401.376007 186.886795 18 187.040649 1379 187.10672 114 188.039795 117 188.874557 18 198.040741 20 199.018753 22 199.044708 70 202.048386 76 204.056061 108 204.099976 26 205.051315 511.232117 205.87619 30 206.060852 26 207.057007 17 207.613754 21 209.006546 22 211.033768 42 211.641388 25 217.049927 139 217.698395 28 219.12767 21 223.097321 27 225.681305 18 226.289948 18 226.879105 75 227.04924 39 229.139099 18 235.848221 20 246.066544 18 247.05748 74 247.389099 20 248.962662 20 250.087753 18 250.921982 20 251.067245 22 252.161331 27 258.179047 18 258.359558 20 258.954498 18 259.400146 19 260.743347 18 261.107086 18 267.134613 18 273.03476 26 276.077545 252 277.07193 1547 278.0755 142 278.376923 27 279.08374 148 280.103638 20 280.195984 25 282.35614 28 284.623749 20 286.616913 30 289.776855 18 291.045746 18 291.201355 18 293.74408 22 296.579102 36 299.930328 17 302.205353 18 303.108002 53 306.098907 20 307.087921 105 308.072601 20 308.526489 22 320.57663 18 324.103546 20 332.750244 18 335.125092 18 337.691895 20 350.983398 18 353.848938 20 358.185913 18 358.377197 34 366.108643 563 367.104126 2451 367.220581 18 368.108063 398 368.324127 18 369.100922 28 369.522797 18 384.163147 19 389.109528 691 390.117279 187 391.10907 27 395.455109 22 402.10257 23 404.590851 17 435.076996 17 448.719025 20 452.097839 18 453.197021 40 490.044556 24 499.056793 25 573.568359 19 594.578674 23 607.263916 24 614.629211 24 631.528564 19 635.175598 18 657.180359 18 669.165405 18 708.557556 18 722.250671 18 730.452087 37 779.220032 157 780.246094 101 781.224548 18 782.232239 23 801.212158 35 812.030212 17 815.980469 21 817.165344 102 819.167358 22 821.195435 17 823.236572 18 824.73407 18 832.143616 20 911.742065 22 941.310486 22 947.449585 30 962.320679 22 992.379761 18 1004.321716 18 1012.726135 59 1013.242737 26 1020.709656 43 1025.209961 30 1025.268799 30 1043.341553 20 1050.25 20 1066.64624 22 1075.484375 20 1095.295654 20 1125.740356 32 1136.712646 18 1141.764038 20 1169.800903 17 1188.299072 37 1191.356445 17 1192.320557 18 1193.289307 18 1199.852173 19 END IONS BEGIN IONS FEATURE_ID=202 FEATURELIST_FEATURE_ID=Aligned feature list peak:202 MSLEVEL=2 RTINSECONDS=278.51 PEPMASS=299.08024 FEATURE_MS1_HEIGHT=1.36E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8:1607"] SCANS=202 Num peaks=281 50.505173 22 50.516254 18 50.757355 18 51.124157 18 51.685219 27 52.051228 20 52.153133 18 52.90588 22 53.046959 28 53.562103 17 55.682594 22 56.865482 22 56.96759 38 57.683456 25 57.897758 19 58.412189 20 59.62355 26 60.063503 20 62.318417 17 64.253944 31 65.192329 22 66.091759 18 66.358597 19 66.994377 24 68.049736 23 69.035309 21 69.070587 19 69.092278 18 69.733696 27 72.277252 25 74.199753 24 78.285538 22 78.953674 21 79.052025 18 79.962402 22 83.844284 19 85.064041 44 85.443306 18 86.622467 19 86.954468 17 87.044167 20 88.453499 18 88.545387 28 89.600121 21 90.757217 36 91.04908 33 91.323486 20 91.526558 31 92.023666 20 92.973221 22 93.477974 18 93.936989 26 94.037376 22 95.086548 23 95.375526 21 96.606903 17 96.959312 9804.807617 97.026543 19 97.067543 17 97.182213 22 97.272209 17 97.434647 18 97.471283 18 97.539963 19 97.677849 20 97.721115 28 97.957886 55 98.28624 18 98.385971 19 98.63649 18 98.793884 20 98.9562 454.014038 99.002403 25 99.031731 25 99.086479 17 99.142509 25 99.329964 24 99.594025 18 100.247826 20 100.725151 21 100.954597 20 101.371849 18 101.959099 17 102.417091 23 103.040222 18 103.534042 33 106.910118 19 107.627869 19 108.171669 18 108.499786 18 110.023003 21 111.081497 36 112.117584 23 113.062042 242 113.095871 65 113.388443 18 113.779755 42 114.062233 18 114.10627 19 114.64682 22 115.039902 66 121.359253 27 122.396172 25 123.007568 18 123.060722 27 126.022369 20 126.968925 17 127.052635 27 129.055298 19 129.660263 30 130.060471 21 131.732285 18 132.63678 18 133.00885 17 133.025131 21 133.110474 39 134.981659 18 139.036407 23 140.044128 23 141.054611 18 142.188019 18 144.069809 29 144.574615 22 145.272842 41 146.04631 17 149.061218 23 150.593384 32 151.044708 26 152.853989 19 153.056961 22 153.800949 26 155.068192 19 157.549194 20 159.039505 47 161.063065 37 162.344818 25 164.044785 20 165.044418 17 167.956299 21 169.657959 22 169.996292 21 172.056015 22 173.569702 18 175.132919 18 177.640976 26 179.032867 41 179.718674 20 180.335388 19 182.53775 20 182.90567 21 184.105377 18 184.127258 23 186.887711 20 187.044617 21 188.039749 37 190.300995 21 190.962631 18 193.019348 30 193.064072 28 198.261215 24 201.111984 176 203.103867 26 205.229004 18 206.953629 18 209.05011 25 210.035309 21 211.580902 21 212.897049 24 214.030106 18 217.271851 22 219.122879 1602 219.227905 18 220.12442 161 221.126633 101 222.012772 23 222.082291 18 222.129425 19 222.367065 20 224.068558 24 226.294083 20 232.501648 18 232.836212 19 239.868195 23 243.038498 28 250.687119 18 250.993637 20 255.088409 18 258.04364 19 261.969971 20 269.524689 19 269.866211 22 270.536804 22 281.066772 43 282.074219 18 283.041443 22 284.334015 17 292.431641 20 293.225586 18 298.154083 81 299.07959 7492 299.148163 71 300.084534 792 300.151978 26 301.039062 20 301.078796 536 301.172119 30 302.078247 90 303.04306 20 303.102478 26 304.228088 20 308.893463 18 317.745667 20 323.088745 21 324.537079 20 329.829651 18 330.94455 17 343.810272 27 345.419098 26 357.096222 18 365.964844 18 366.209198 43 369.477051 17 376.602936 20 389.108765 580 390.111755 78 391.11084 18 393.039673 39 414.390381 31 419.415955 34 440.38501 19 444.828735 17 463.058411 22 463.893982 21 467.534729 17 489.006378 18 503.761566 18 537.190002 26 540.356689 20 547.422058 34 556.15979 18 563.19574 20 589.674438 22 607.182556 20 618.02655 17 634.141663 20 641.534851 17 676.360229 21 756.167664 18 759.208496 44 779.219421 112 780.229797 95 782.242188 37 801.202698 40 814.61676 18 817.187927 215 833.115662 18 834.127075 26 835.115662 20 866.631104 18 874.180359 18 898.289856 19 984.498169 20 990.257019 30 993.772888 19 996.251404 21 1012.257935 25 1022.200989 18 1031.253662 18 1033.197266 20 1057.189819 20 1080.199219 22 1088.279419 24 1105.547363 39 1144.287842 20 1147.284424 20 1169.367798 22 1175.72583 17 1188.836182 41 1191.346069 21 1194.034668 30 1199.329346 19 END IONS BEGIN IONS FEATURE_ID=203 FEATURELIST_FEATURE_ID=Aligned feature list peak:203 MSLEVEL=2 RTINSECONDS=280.08 PEPMASS=779.22478 CHARGE=-1 FEATURE_MS1_HEIGHT=9.459E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:1634"] SCANS=203 Num peaks=361 51.293751 27 54.458889 18 55.020348 22 56.831287 46 56.892746 35 59.01281 783 59.235985 20 60.517014 20 60.785011 32 61.377182 38 61.397026 18 63.333214 18 66.651627 31 68.995239 19 71.013245 637 72.010078 19 72.067429 20 72.971756 18 73.032028 32 76.117279 17 77.836365 22 79.933655 34 81.032684 95 81.434967 24 81.67955 17 82.036263 24 83.013412 18 84.059563 29 84.14753 23 85.029007 138 85.455994 20 86.030586 18 87.004692 54 87.053375 22 88.005074 22 89.023575 2047.177734 90.026855 74 91.057869 18 91.44635 17 91.628639 19 93.029205 37 93.142433 20 94.514908 17 97.028755 20 97.962929 22 98.313843 30 98.885353 22 98.900543 19 99.043999 455 99.190186 18 99.75782 19 101.023804 1336 101.056213 21 101.82254 23 102.02681 72 102.368828 18 102.912163 18 105.925934 20 107.036232 59.163177 107.053017 78.836823 109.027122 62 109.065018 39 109.867844 20 110.068802 20 110.258972 22 110.310165 32 111.044792 68 112.749802 25 112.829269 18 113.024429 957.76532 114.026306 67 115.669136 20 118.472855 41 119.033989 1859.417847 119.249809 24 120.041405 145 121.028503 352 121.171066 18 121.512642 18 122.031876 24 122.082359 18 122.198143 40 123.044395 33 124.979935 20 125.020279 83 125.059143 20 125.080147 17 125.426071 18 126.301926 18 127.55735 19 128.570084 18 131.03508 245 131.832886 22 134.038727 18 135.043091 248 136.046722 37 137.059769 3154 137.934998 21 138.063492 151 139.039291 1356 139.067566 66 139.193634 18 139.35321 22 139.387009 18 139.607986 18 140.039078 46 142.295563 20 143.037491 312 143.335297 28 147.044037 269 147.805038 23 147.976059 20 148.037674 37 149.027344 25 149.045029 178 150.054337 18 151.974899 18 152.639084 22 153.055908 579.439819 154.061356 38 154.601257 24 155.732269 20 159.957855 29 161.045044 916 161.176697 22 162.045105 57 165.054626 4728 165.962296 18 166.029373 24 166.059296 606.425659 166.86821 25 168.232056 51 175.455048 18 179.020493 18 179.054214 1849 180.06308 167 181.062836 62.76112 181.102814 31 181.961365 18 182.480286 18 183.02243 43 183.065247 7159.686523 183.182816 19 183.77298 22 184.069656 504 185.077499 99 185.681931 18 187.41597 33 189.319061 26 189.568176 18 189.692154 17 190.878235 19 191.033386 272 192.036377 36 193.221237 20 200.122726 20 202.975739 18 205.328445 21 207.058472 18 207.848022 22 208.620483 22 209.044342 6646 209.590958 18 209.815323 25 210.048141 784 211.05162 161 211.548615 32 211.941025 18 212.800552 22 213.05249 17 215.41214 17 215.723892 18 219.179642 17 219.666641 20 220.686203 22 223.787262 18 227.004196 19 227.05484 5139.624023 228.059113 637 228.981766 28 229.074554 18 243.07988 44 244.059387 21 246.338455 18 252.553635 22 258.929047 21 260.364075 23 263.075317 20 267.621582 22 269.064026 21 275.350372 21 284.368042 18 295.076233 25 296.202942 26 297.373962 19 299.381042 27 301.676605 31 303.995392 18 304.100281 20 304.155029 28 305.27359 18 317.254333 20 325.080322 23 329.929901 22 340.239105 17 341.779907 17 352.738342 18 361.366333 20 368.59967 17 371.094849 104 372.098755 18 374.171478 18 381.458069 27 383.356354 71 383.416016 75 383.488159 20 383.750305 17 384.187378 20 384.366302 18 384.427124 35 384.502319 26 385.460419 18 386.47525 20 387.832153 35 388.638062 20 388.713531 42 388.769867 18 388.814667 23 388.846252 18 388.963043 35 389.024872 18 389.050934 19 389.1073 121818.460938 389.198425 5591.921387 389.30484 32 389.329559 81.552391 389.396667 111.782532 389.493896 57 389.537628 35 389.591309 18 389.620697 21 389.719849 18 389.815704 25 389.89209 27 390.11026 25729.326172 390.186737 34.292049 390.223541 71.274994 390.345825 35 390.399353 20 390.531616 39 390.628906 17 390.832733 27 390.973724 18 391.05719 18 391.111633 4904 391.234467 54 391.326599 18 391.459259 18 391.568817 18 391.837433 20 391.900085 41 392.11676 305 392.175781 37 392.234314 18 392.371704 23 392.694397 18 392.888153 18 393.011749 53.861675 393.048798 44 393.172821 43 393.389099 17 393.560211 18 394.37146 27 394.425873 22 394.7099 17 394.837738 18 395.017578 17 395.12262 17 395.147522 18 395.227173 29 395.393677 18 396.365967 20 396.514587 21 396.611969 20 396.68277 18 398.211212 20 399.318176 22 401.490845 20 404.491577 19 405.266357 33 406.096161 20 407.044647 17 408.559052 22 416.242218 18 417.386383 25 422.346497 18 427.801086 23 441.342133 19 446.599945 17 446.898804 19 467.341461 18 467.913025 20 475.085999 21 494.649231 20 540.428833 34 550.220703 51 550.314819 18 551.215271 18 557.164368 20 563.933594 18 573.17572 48 574.246033 20 607.307068 20 635.177307 21 650.364624 18 651.157288 21 652.083618 19 652.268005 23 655.999451 22 683.142395 18 694.188232 19 711.282166 23 711.335327 18 736.395142 25 762.246155 40 779.22113 1587 779.506409 17 780.221619 374 781.223511 230 782.240234 66 801.208313 57 811.81427 20 817.175171 183 833.163025 45 846.14801 21 942.336731 37 974.293762 20 979.528625 18 993.232178 18 993.752991 20 994.764771 25 1013.750122 22 1027.406006 20 1035.698486 18 1036.553711 18 1040.317139 21 1043.246948 17 1058.454224 18 1060.994995 20 1071.461792 20 1101.217285 18 1102.434937 20 1125.404053 20 1152.861938 18 1169.341064 37 1186.609375 22 1188.841064 20 1192.291992 17 1193.304077 22 1199.334229 49 1199.816162 17 END IONS BEGIN IONS FEATURE_ID=204 FEATURELIST_FEATURE_ID=Aligned feature list peak:204 MSLEVEL=2 RTINSECONDS=280.21 PEPMASS=452.10414 CHARGE=-1 FEATURE_MS1_HEIGHT=2.108E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:1610"] SCANS=204 Num peaks=112 59.013977 55 61.015583 35 61.98737 5222.367188 62.043018 20 62.103722 18 62.166927 18 62.294521 29 62.572849 18 63.102997 18 63.994858 17 68.843513 18 71.013771 18 80.55497 18 82.835396 24 83.011383 19 89.023621 193 93.032516 23 98.846062 18 99.048103 75 100.047249 25 101.026634 111 101.964241 18 107.048782 22 109.028435 25 109.065514 18 112.049858 22 112.417328 19 114.172127 18 115.037621 21 117.034363 18 118.018379 20 119.036926 71 120.038254 45 122.030121 24 122.682365 17 123.036957 19 123.04673 39.911907 125.017227 18 131.031845 62 135.044037 49 136.781631 18 137.059021 198 139.03775 145 139.636917 20 143.029129 29 145.069107 44 147.031677 18 149.04686 18 151.040207 18 153.052948 57 160.990845 17 161.044647 38 165.056076 240 169.026428 17 174.086731 18 179.052246 29 183.066788 240 183.854111 18 184.069901 40 191.032425 38 196.106812 22 200.09552 24 201.030228 18 205.188812 29 209.043274 189 212.063461 22 215.095627 21 219.731247 18 227.054535 132 229.10376 19 231.105164 18 243.161972 20 258.965759 18 261.746429 19 272.913818 26 274.044739 20 274.079315 18 288.066864 18 291.800293 47 296.537292 19 298.295685 24 299.214142 41 309.08667 24 309.207153 22 319.8396 17 336.028534 20 336.192352 22 340.187408 21 343.108215 26 349.099091 23 360.140015 20 362.087189 23 363.870148 20 370.16217 21 371.133881 18 372.076691 18 374.121948 19 389.106323 1877.28833 389.166351 37 390.112091 243 391.111816 102 392.665985 27 400.193604 22 419.49704 17 436.075928 17 452.10733 21 452.590271 22 454.205963 17 455.234161 18 466.091522 17 496.818878 18 560.593994 27 END IONS BEGIN IONS FEATURE_ID=205 FEATURELIST_FEATURE_ID=Aligned feature list peak:205 MSLEVEL=2 RTINSECONDS=281.09 PEPMASS=817.1808 CHARGE=-1 FEATURE_MS1_HEIGHT=6.709E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8:1470"] SCANS=205 Num peaks=70 50.659313 20 52.185993 18 57.421242 20 59.013786 18 68.243217 18 80.487762 49 84.785065 28 86.648209 18 89.022316 68 99.045982 46 101.027344 37 109.066673 18 119.006386 25 119.033524 226.324554 121.034645 21 130.76416 18 135.764084 19 137.058746 167 137.654068 21 139.037079 58 143.03183 18 147.04541 69 153.063812 22 161.041458 18 165.057266 145 177.027115 18 179.058807 98 183.065063 297 183.236664 17 183.79924 34 184.073303 60 185.003464 22 188.260223 45 191.047729 28 203.634933 18 209.045258 279 210.046951 88 226.714386 18 227.054993 466 228.058487 18 229.057251 18 232.707169 28.000002 265.015656 42 356.933929 23 388.975433 17 389.10788 3636 390.110352 568 390.995453 18 391.111237 53 393.061646 17 394.453827 18 395.275726 18 400.132599 22 427.063965 292 428.067444 38 465.021759 28 503.525757 18 619.281982 17 781.239197 18 805.056763 18 815.992798 18 816.188843 19 817.181213 2985.981689 818.1828 1160 818.570435 20 818.828064 17 819.190613 595 820.179077 93 820.522034 17 821.365234 20 END IONS BEGIN IONS FEATURE_ID=206 FEATURELIST_FEATURE_ID=Aligned feature list peak:206 MSLEVEL=2 RTINSECONDS=281.19 PEPMASS=389.10803 CHARGE=-1 FEATURE_MS1_HEIGHT=2.268E6 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:1639"] SCANS=206 Num peaks=504 52.093029 24 52.871544 21 53.038433 37 54.935101 22 55.019012 375 56.996601 23 57.033791 83 57.139366 19 58.935265 18 59.012959 6209.644043 59.074368 33 59.122295 20 59.174698 20 59.238804 26 59.380642 23 59.451347 17 59.99255 17 60.016136 155 60.232666 21 61.018604 59 61.457542 19 62.700314 17 63.193851 18 63.648563 23 64.002968 20 66.570343 20 67.019753 18 67.082481 18 67.958443 26 68.050385 20 68.995468 21 69.033745 312 69.064453 19 69.152695 17 70.020439 28 70.486656 18 70.964851 17 71.01342 6745.195312 71.038506 29 71.053223 42 71.224579 20 71.260582 20 71.426743 20 71.922943 21 72.016037 365 72.101433 18 72.373077 20 73.017433 82.616966 73.029434 298.383026 73.356567 19 73.769318 20 74.939377 17 75.006744 22 77.02314 62 77.152695 27 77.338524 25 77.464584 42 78.95842 18 78.987335 18 79.019287 24 79.054039 44 80.022598 18 81.0336 1525 81.070091 25 81.459869 19 81.716934 21 82.036469 105 83.013016 391 83.045677 85 83.27832 17 83.336136 17 83.931709 17 84.021988 182 84.120468 18 84.296631 27 84.413055 17 85.028755 1725 85.145325 17 85.17244 21 85.726357 20 86.031845 82 86.253517 18 87.009651 247 87.169441 22 87.866379 23 88.011726 51 88.54921 20 89.023643 12495.276367 89.405945 18 89.419273 18 89.55349 19 89.648651 22 89.673828 21 90.027084 462 90.055527 18 90.43576 17 90.808662 18 91.028549 131.02919 91.055405 333 91.249466 18 91.813698 35 92.02713 18 92.107338 25 92.930145 18 93.00573 24 93.033417 820 93.067719 18 93.430122 28 94.03933 19 95.012932 514 95.049507 372 96.016991 15.235526 96.02681 23 96.052841 18 97.029137 1353.036743 97.542107 18 98.034706 43 99.00354 74 99.013351 41 99.044518 5689.147461 99.100754 37 99.513008 18 99.590248 24 99.94677 27 100.031097 19 100.047882 256 100.112793 20 100.302101 18 100.398216 17 101.023575 11344.128906 101.081863 20 101.159874 36 101.256729 19 101.413109 36 101.459106 22 101.501747 17 101.513374 18 101.930611 26 102.026886 542 102.055573 26 102.189934 21 102.349396 18 103.027985 117.680832 103.055878 55 104.519127 22 104.564095 30 105.033478 263 105.374069 43 106.039864 20 106.19873 18 107.049759 993 107.195854 18 108.018585 27 108.054062 20 108.774422 24 109.028694 899.138428 109.065643 1005 109.631195 42 109.666512 18 110.033363 60 111.006706 40 111.044807 2206.483398 111.577141 20 111.629173 28 111.690033 36 111.702675 18 111.993942 52 112.051147 117 112.078712 19 112.354111 21 112.863792 18 112.952019 24 113.023537 6227.033691 113.182747 18 113.682617 17 114.028893 284.197235 114.05587 20 114.34314 22 115.027473 18 115.041443 37 115.842468 18 117.033714 26 117.318535 17 119.03479 8984.500977 119.203323 23 119.357933 22 120.038498 752.89801 120.058586 98.818275 120.100006 18 120.177185 18 120.449493 18 120.771286 17 121.001694 24 121.02877 6149.079102 121.065231 437 121.542267 29 122.034821 817 122.069016 20 123.044319 708.621094 124.007652 20 124.187195 18 125.023651 170 125.05246 17 125.06839 40 125.137283 20 125.940247 17 126.025078 20 126.098885 19 127.042816 20 127.070526 18 127.887527 17 128.012619 62 128.502594 20 129.033447 407 129.096466 20 129.108185 29 129.935745 20 130.373657 18 131.035187 800 131.300293 20 131.485336 20 132.041031 54 133.038193 49 134.037003 98 134.676651 24 135.044754 4929 135.216782 22 135.477875 19 135.973892 30 136.014725 17 136.051376 676 136.121445 17 136.135529 20 136.968765 18 137.024887 192 137.060211 14815.314453 137.179169 20 137.29567 18 137.831406 24 137.880997 17 138.036011 20 138.063049 1281 138.439651 23 138.738098 17 138.894302 20 138.964859 18 139.039398 11304.108398 139.068054 40 139.104202 25 139.479263 18 140.042603 781 140.337418 20 141.043777 173 141.394165 18 141.579498 18 142.139313 18 143.034393 950.257019 143.11824 26 144.036163 78 144.113403 17 144.374924 31 144.42775 21 144.927979 18 145.017303 18 145.036789 39 145.270706 18 146.007431 21 146.032837 20 146.554993 18 146.986771 18 147.044617 3901.735107 147.781616 18 147.794434 18 148.049011 438 148.132874 18 149.044983 864 149.216461 30 150.031403 153.33345 151.029205 18 153.054535 2617.03125 154.058319 217.845734 154.816162 20 155.061584 92.428627 155.075272 26 157.963318 17 159.030106 60 159.592819 18 161.044464 1309 162.050415 84 162.228668 22 163.047623 74 164.010986 23 164.074249 27 164.390442 81 164.958832 20 165.055115 18693.767578 165.175079 37 165.352722 18 165.777191 18 165.829651 18 166.014435 20 166.058655 1895.416504 166.084808 17.455566 166.315094 18 166.702682 22 166.889999 19 167.058151 113.000008 167.216385 22 167.403229 20 167.597046 28 168.050751 20 168.920975 21 169.967361 36 170.791534 18 173.740814 30 174.059128 18 174.277435 20 174.329834 21 174.984573 20 176.587936 22 177.255676 29 178.643097 22 178.680328 26 179.055893 3260.910156 180.032761 40 180.058167 239 180.41626 21 181.036789 37.08049 181.056366 27.301966 181.080185 18 181.225128 19 181.980194 24 182.674057 26 182.987701 19 183.012238 17 183.06601 13876.810547 183.346954 18 183.417725 33 184.070038 1516.330444 184.271637 18 184.742401 20 185.044769 45.237534 185.071106 210.762466 185.458633 17 185.618896 22 185.69165 18 187.281891 18 189.325256 20 190.672729 25 191.033447 765.748718 191.586441 18 191.614853 18 191.702011 18 192.038315 159 193.088867 18 195.070099 20 195.966888 20 197.962494 79 198.077652 19 199.237167 18 200.476501 18 200.905457 18 201.317581 17 202.929199 46 204.08374 29 207.004013 20 207.264969 22 207.984497 19 209.045059 13866.467773 209.133057 18 210.048141 1949.722412 210.167313 20 210.360611 22 210.889816 19 210.916153 18 211.053268 301.528687 211.110397 48 211.160309 17 211.451126 22 213.001953 30 214.01651 20 214.074295 21 214.560425 25 215.676041 17 215.807449 28 218.04509 25 219.455887 17 220.769302 18 223.68248 18 223.758453 17 225.082016 40 227.055603 6689.208984 227.117645 20 228.057877 569.452087 228.093475 18 229.064362 128 229.61853 18 230.245712 29 233.010284 17 233.959534 37 236.121307 17 237.041595 17 238.026184 18 238.107407 35 239.9673 39 243.169434 26 244.065292 28 248.633743 19 249.023987 18 256.599548 23 263.325012 18 265.106171 26 266.114105 25 269.074188 18 284.307281 18 301.66452 18 305.318451 19 307.149567 22 307.194885 20 311.737152 41 316.850861 19 317.21756 29 318.109833 24 322.280762 17 323.71701 17 327.109589 18 334.321533 18 343.105621 18 367.141235 26 371.1008 129 372.102203 17 374.169128 36 375.178101 17 383.317261 22 383.382996 25 383.425018 19 384.103943 18 384.467651 17 386.766327 18 387.084991 18 387.722717 18 388.085236 19 388.279572 19 388.722748 30 388.953827 27 389.107971 33051 389.199432 600 389.326843 18 389.427979 18 389.795441 26 389.954254 17 390.111969 7076 390.187195 18 390.360748 18 390.415283 18 390.521057 18 390.861755 18 390.931976 18 391.112457 1581.265503 391.1698 18 391.675934 20 391.86496 18 392.115906 251 393.119568 26 394.517578 20 395.950714 18 397.315948 19 399.792023 18 417.074249 20 438.903503 17 439.888702 18 492.685028 20 510.55954 26 513.359436 22 564.27655 18 609.337158 18 651.164246 20 660.598816 26 687.762329 29 710.444641 20 716.607239 17 732.88446 18 775.820923 20 779.222351 136 780.245972 35 801.208435 20 817.182007 21 830.159668 18 833.117859 24 962.525696 21 983.271973 67 985.309814 17 1015.107666 18 1030.373169 18 1046.53479 31 1054.758179 28 1063.92395 32 1102.293579 18 1124.445557 19 1152.553833 18 1160.908447 18 1169.359985 18 1188.306885 20 1195.286865 18 END IONS BEGIN IONS FEATURE_ID=207 FEATURELIST_FEATURE_ID=Aligned feature list peak:207 MSLEVEL=2 RTINSECONDS=281.77 PEPMASS=569.17155 CHARGE=-1 FEATURE_MS1_HEIGHT=2.253E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:1635"] SCANS=207 Num peaks=163 56.156002 21 57.033382 21 59.013134 579 61.444767 20 69.037064 18 71.012764 828 72.01709 20 81.030899 102 83.012733 51 85.027855 39 85.617325 26 87.010216 81 88.01001 18 89.023102 1539.855225 89.785805 20 90.027618 20 91.05452 20 93.033493 86 95.009743 20 95.050255 64 97.029465 118 97.549057 18 98.881111 26 99.044174 562 101.024323 1301.877686 101.053062 20 101.089516 20 102.025681 63 103.023682 18 105.029144 18 107.048981 123 109.030907 89 109.064056 111 109.67942 20 110.031143 18 111.044365 191 112.047951 25 113.024826 685.361389 114.026634 104 116.11647 17 119.034271 1336.241577 120.037399 62 121.029526 563.967529 121.315445 28 122.032684 58 123.046257 50 124.019341 17 125.021599 41 125.541344 29 129.01564 19 131.033096 22 132.035049 18 134.038727 24 135.043961 429 135.929504 18 136.04567 57 137.060211 2163 138.034256 17 138.06282 197 139.040512 1178 139.073593 55 139.116837 42 140.039536 53 143.034164 148 144.042221 22 144.354095 28 145.040298 20 147.045547 275 148.039627 27 149.044479 181 153.054688 337 154.056686 18 154.941254 20 159.031342 32 161.044907 314 162.048798 20 164.849594 18 165.055084 2880.688721 165.258438 68 166.060043 260 166.361816 18 166.938171 18 171.043396 20 175.02829 21 178.53476 17 179.056122 917 180.031326 34 180.057419 37 180.416504 29 181.01442 18 181.057495 18 182.789322 23 183.019623 39 183.064987 3113.921631 184.068268 328 185.076385 93 185.804245 17 186.867188 22 187.955444 22 191.033188 342.374359 202.032425 17 206.616684 22 208.630783 30.999998 209.044495 3375 209.576218 18 210.047058 375 211.04599 109 215.436462 26 223.756912 18 226.955948 17 226.972137 26 227.055511 1893 227.417664 19 228.058701 223 229.065018 78 230.066284 18 231.100708 18 235.444366 28 237.078751 19 256.913116 24 287.349792 51 324.459473 19 324.615204 33 331.523041 22 333.842621 24 362.861115 23 370.193146 18 371.096344 42 373.860809 26 377.92691 40 389.107635 28053.921875 389.172607 18 389.874329 18 389.980164 18 390.111664 5717.071777 390.233398 23 390.28479 18 390.36441 20 390.468689 18 390.511841 19 391.11438 1143.552246 392.102905 53 392.830627 18 394.29425 22 396.180054 19 399.431183 19 409.053925 28 413.593079 18 453.013489 30 453.28067 23 464.40213 20 471.252991 25 478.000854 17 480.224121 18 490.218536 25 529.298645 29 561.182556 27 571.125183 22 722.514038 20 795.612549 23 1058.581665 20 1068.49646 23 1074.703857 17 END IONS BEGIN IONS FEATURE_ID=208 FEATURELIST_FEATURE_ID=Aligned feature list peak:208 MSLEVEL=2 RTINSECONDS=281.98 PEPMASS=367.10478 FEATURE_MS1_HEIGHT=6.536E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:1644"] SCANS=208 Num peaks=276 50.075714 20 50.491806 22 52.472992 29 52.909321 24 53.60957 24 54.51339 18 55.016285 18 55.685577 17 56.554539 20 56.816662 25 58.850166 23 59.010342 20.298935 59.016342 44.639164 59.178143 24 60.014545 23 60.650177 18 60.743565 18 61.007812 18 61.453358 18 62.153004 18 62.17342 20 62.324467 20 64.147667 21 64.269257 20 66.47963 21 66.758713 17 66.953476 21 67.756088 20 69.392532 19 70.181107 19 70.222496 25 71.013634 261 71.788757 17 73.025902 17 75.555023 18 77.093376 18 77.341835 23 79.967232 29 80.44342 24 83.01223 19 84.400414 25 84.628586 22 85.012321 17 85.028282 92 85.293854 20 85.349892 19 85.783249 26 87.023857 20 87.0466 21 87.914948 18 88.170471 22 88.636169 21 89.022858 191 92.090286 17 95.007523 18 97.027588 47 98.369156 22 98.394058 17 99.044907 17 99.510262 18 100.680679 26 101.005699 19 101.020714 22 102.024063 24 102.44738 21 103.003952 17 105.520248 17 106.286522 20 108.477028 22 111.025368 17 111.963814 23 112.987183 26 113.023041 468 113.354179 18 113.370926 24 113.750336 24.756918 113.761429 24.243082 114.023506 147 114.085732 23 115.019638 648 115.131271 18 115.41053 20 116.034904 18 116.050018 20 116.107712 25 116.926056 34 119.034721 18 119.727036 24 121.031593 18 123.004227 18 123.042259 25 125.022583 141 127.02224 20 127.043556 40 127.24128 20 130.088516 149.938873 130.60585 19 133.032532 40 137.057678 18 141.066422 88 142.261215 20 143.120392 46 144.03186 18 144.044495 18 145.025024 60 145.4505 20 149.096146 17 149.125061 24 150.771011 18 150.914246 20 152.066864 22 154.093781 40 154.197021 28 156.032211 40 157.029953 519 157.485825 31.999998 158.034271 48 161.042145 56.658901 165.056778 18 165.604645 24 168.034958 39 169.031113 341 170.039154 47 171.011398 28 177.037399 29 179.037994 23 179.052551 36 179.719574 18 182.34137 19 183.065125 36 185.056427 147 186.046829 239 186.078598 27 186.112549 21 187.040405 1472 187.107956 608 188.041321 101 188.106583 20 189.131119 25 189.260529 22 190.519745 24 191.040131 42 193.884872 21 195.742035 17 198.402771 22 199.016373 19 199.038849 18 202.049896 75 204.060867 18 205.055023 644.953796 205.711731 17 206.054733 37 207.024475 20 207.929443 19 209.04126 36 211.065872 18 211.133514 22 212.518066 24 212.857025 17 214.417099 29 217.04805 34 218.052887 20 222.017075 53 224.765076 26 225.957428 20 227.054733 63 231.580139 20 238.739731 18 240.033905 25 240.708206 58 240.880142 22 247.066742 24 253.244736 17 254.199402 18 255.076935 18 258.047852 18 259.065002 20 259.094452 24 271.927673 24 273.00531 19 273.058411 21 276.077698 398 276.394257 18 277.073151 1890 278.073517 149 278.11557 18 279.072998 122 280.737701 17 281.009186 23 281.276398 18 291.109833 18 299.14978 23 307.081604 46 311.847046 18 321.1875 20 322.039734 19 326.217499 19 328.903473 18 331.069061 19 335.476624 32 336.090973 21 337.09375 18 340.947327 17 350.757507 20 355.222351 20 366.107605 399 367.104645 2723 368.042664 20 368.108246 299.191742 368.170319 20 369.030334 18 369.125366 54 369.221802 17 389.10849 1080 390.110565 213 390.558838 21 391.112732 93 392.115845 22 397.21524 36 398.071075 20 427.075043 18 442.351715 20 450.491913 20 469.100494 22 469.31604 22 482.212341 23 506.570526 19 509.071533 18 512.929504 21 525.143616 17 532.017334 19 543.109863 19 544.228638 20 550.21936 20 551.21106 19 559.093811 18 569.628845 19 577.143921 20 586.215515 24 605.151794 19 619.109192 44 665.041077 34 672.181824 20 693.205627 19 715.47406 18 779.230408 390 779.374207 20 780.224365 124 781.234558 38 801.209351 18 809.739624 20 817.192688 87 818.193054 23 819.162415 18 850.256653 23.000002 851.830322 17 962.312683 18 962.360168 17 979.2948 47 983.295105 23 984.287781 18 1007.512817 19 1012.233337 35 1015.738403 19.999998 1051.284424 18 1065.203125 21 1066.328735 20 1074.534424 22 1093.812134 18 1103.427612 18 1127.755737 18 1165.364624 22 1170.320557 29.000002 1175.44104 17 1188.325806 39 1188.822876 20 END IONS BEGIN IONS FEATURE_ID=209 FEATURELIST_FEATURE_ID=Aligned feature list peak:209 MSLEVEL=2 RTINSECONDS=287.86 PEPMASS=432.09905 CHARGE=-1 FEATURE_MS1_HEIGHT=6.748E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8:1307"] SCANS=209 Num peaks=141 53.590954 23 54.153477 18 56.161732 19 56.673569 22 59.299103 27 61.987473 11993 62.205933 18 62.23304 17 62.291245 30 62.310829 25 62.335503 24 62.370495 20 62.760342 18 62.969048 18 62.984497 19 62.991634 20 63.051991 22 63.372509 20 63.917557 20 63.992378 112 64.158546 22 64.483795 21 64.754738 17 65.790184 17 66.64579 18 68.20462 17 68.334076 20 68.60936 22 73.052994 28 75.130402 22 75.972046 24 76.527817 23 78.169205 20 78.273216 25 82.074028 18 86.193352 18 89.022926 18 95.915131 18 98.376709 17 99.536079 17 102.818466 22 102.929138 27 102.957901 17 105.25695 17 107.671165 18 110.174568 18 111.331345 18 112.083832 18 112.266937 22 114.024734 17 115.37056 21 116.07103 17 121.601189 18 123.573151 28 124.989799 17 125.131416 21 129.453125 18 136.479568 23 136.937317 18 137.074387 18 141.195496 17 143.033875 88 144.782471 22 144.875519 17 146.972183 18 149.121414 18 150.095581 17 155.493698 18 155.909195 20 157.926544 20 161.045151 36 161.298187 30 162.947128 18 163.002991 17 164.889496 31.000002 166.024811 33 166.607788 24 170.02742 26 177.403244 19 178.102615 20 179.052872 37 181.491623 22 184.498978 20 185.193176 20 192.57132 20 207.137436 18 213.70578 20 221.055267 37 228.148849 18 228.241623 21 230.657669 17 234.517593 25 238.265182 22 238.927689 23 241.888184 18 245.143539 29 246.585068 18 246.908478 18 247.007172 18 249.060776 17 252.542191 23 264.159302 18 264.256561 18 269.983398 28 271.069763 18 272.822998 18 312.72821 17 320.230896 21 329.135071 27 332.438049 18 333.931641 17 340.235413 18 361.307281 18 375.629059 22 381.296265 18 391.531403 18 405.074646 45 421.300568 18 432.097351 2247 433.100983 305 434.104736 163 438.524567 18 444.715179 52 469.393738 18 500.446625 20 520.077576 18 538.875366 21 553.659546 21 558.303894 18 592.927429 24.000002 741.206543 23 917.03949 41 943.917542 18 952.076843 18 1014.104919 19 1051.077026 20 1053.68396 18 1073.391968 17 1104.181396 24 1106.002686 22 1162.347656 17 END IONS BEGIN IONS FEATURE_ID=210 FEATURELIST_FEATURE_ID=Aligned feature list peak:210 MSLEVEL=2 RTINSECONDS=289.27 PEPMASS=116.07132 FEATURE_MS1_HEIGHT=6.477E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8:1551"] SCANS=210 Num peaks=152 51.10125 18 52.045448 26 54.146534 40 58.676147 18 60.129074 20 60.440044 18 63.815704 20 64.320549 18 64.646965 23 65.717758 18 69.212837 18 69.427818 19 70.123703 24 71.086189 19 71.529411 19 75.437164 17 75.761871 26 76.761749 18 79.01561 18 79.722092 20 80.211693 18 81.240479 18 81.491745 23 83.514694 22 85.853226 23 86.688965 17 88.171227 18 88.273308 20 90.016701 22 92.726723 21 95.261032 18 96.81385 22 97.933128 19 99.927269 114 103.946068 22 109.617744 23 111.702385 19 112.061241 18 114.717224 23 115.349609 20 115.920807 60 116.071182 1735 116.272171 17 116.316536 18 116.928284 121 117.013519 17 117.076363 82 118.077003 37 118.370728 27 121.316544 21 130.608826 17 131.835541 19 139.241745 18 141.319092 20 141.689484 29 142.962265 17 145.079514 19 146.963943 22 149.763275 24 149.921524 25 150.131973 18 150.658783 18 153.016663 18 160.849472 35 161.766159 18 161.873611 18 169.909546 18 170.013535 20 173.938599 18 175.709641 17 177.150146 17 177.512329 21 181.973251 18 184.238449 31.000002 184.956284 25 189.275497 19 191.692093 23 191.786102 20 194.38446 32 199.547729 20 214.87323 18 215.04335 18 216.457565 17 216.993759 24 217.446793 19 220.079987 26 220.891617 18 221.077316 18 232.92981 19 235.477615 24 236.50943 40 236.557068 48 240.786835 19 240.972839 29 241.144653 20 246.281693 20 248.84465 19 253.673721 18 259.643707 17 261.737976 24 266.483215 21 267.450134 29 273.184998 18 275.848846 18 276.652283 18 284.830566 18 287.613617 20 288.096802 20 292.514771 24 300.052063 24 310.931213 19 315.795441 18 319.505463 19 334.873993 18 338.212311 23 345.493683 17 355.271484 19 362.64267 17 363.368683 18 364.502197 17 366.116333 25 380.172882 18 390.728912 18 415.437531 18 440.134521 18 441.939667 29 446.482208 33 454.974091 43 460.283813 33 480.270935 18 506.107727 18 511.574615 21 512.784363 21 554.267212 22 574.352722 19 605.596741 19 627.100037 20 634.831055 18 642.712952 25 645.593628 17 658.289673 18 664.127136 18 674.667236 18 708.23645 21 714.39856 26 725.826172 17 751.010071 18 868.721619 18 878.523438 27 1089.352905 19 1147.394409 17 1185.30542 23 END IONS BEGIN IONS FEATURE_ID=211 FEATURELIST_FEATURE_ID=Aligned feature list peak:211 MSLEVEL=2 RTINSECONDS=289.52 PEPMASS=217.08229 FEATURE_MS1_HEIGHT=6.878E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8:1694"] SCANS=211 Num peaks=204 54.255566 31 55.542103 50 58.028919 21 60.800476 20 61.987957 54 63.655518 18 64.098671 22 65.571175 18 67.180275 18 69.146797 33 69.201927 17 71.014748 59 71.037178 20 72.043617 24 72.059662 23 74.220306 18 75.807213 21 76.311646 18 78.338402 17 82.027512 109 83.062202 92 83.624054 20 84.044449 322 84.357727 27 85.024345 19 85.047722 17 85.998749 23 86.048569 20 86.531464 60 86.979691 18 87.899246 17 88.040611 218.577682 88.773476 18 89.257103 21 90.559532 18 91.723892 20 92.682182 30 95.595596 22 96.613846 33 97.221199 21 97.66256 18 97.914917 31 98.309799 28 99.055603 18 101.022873 21 101.071777 1114 102.069427 17 102.079453 22 102.515732 18 103.035721 40 103.30265 30 103.354034 17 105.021301 28 105.549248 30 106.858994 19 107.894623 17 109.687309 18 110.029297 17 110.234047 22 111.005478 18 111.057053 184 111.400558 19 112.042023 42 114.058235 48 117.389275 18 121.051491 20 124.262047 18 124.384712 19 124.888863 20 125.111488 21 127.049767 255 127.820992 18 128.033112 491 128.343048 18 128.931046 18 128.955063 18 129.038589 56 129.070267 62 130.042603 18 130.098999 18 131.367249 22 132.879807 25 133.012985 21 134.018051 17 134.266693 17 134.974792 31 136.964493 17 137.02623 60 137.071304 36 140.076035 20 145.061432 41 150.21312 20 151.804398 29 153.983551 65 155.032959 18 155.083908 344 159.541168 21 159.700043 28 160.892288 24 161.044647 33 163.548752 18 164.013458 20 164.493454 19 170.043182 17 171.052536 20 173.092712 274 173.624207 26 174.090912 20 175.284027 26 176.493683 17 178.46553 18 179.52327 17 181.125381 20 181.96376 18 182.935379 19 185.581635 19 186.122345 24 190.541214 25 193.015228 35 193.083237 18 193.718002 45 199.022598 41 199.072098 446 200.075775 83 200.997238 59 201.157379 24 205.794464 32 206.349915 18 208.652695 22 213.413162 25 215.570129 24 217.013184 18 217.034821 22 217.08223 916 217.971146 17 218.07988 130 218.423477 21 219.084839 24 222.003906 20 222.080963 17 222.73671 34 224.614868 37 226.205338 24 230.715424 19 233.086014 18 244.065796 18 245.097824 19 245.89296 27 252.957916 19 258.536957 17 263.371033 17 263.547913 17 268.142578 18 268.941315 19 299.581635 27 300.891907 21 305.557648 21 313.80835 18 316.566315 23 326.869293 18 328.609131 18 331.177063 18 335.653717 18 362.696442 22 367.622131 18 370.145386 18 377.440308 18 384.880188 25 385.744568 20 388.345215 18 392.392944 18 396.615784 25 398.520111 18 405.471436 18 409.77832 20 426.705505 18 432.112244 61 440.39624 18 448.453461 19 472.333069 21 478.49884 17 481.18988 20 485.183441 17 489.637177 38 492.302673 25 504.177094 30 542.256775 20 548.963196 22 551.233704 17 568.114563 27.000002 614.543945 18 631.436279 24.999998 678.337097 26 701.162415 18 713.366882 20 739.299316 18 749.522095 18 884.241699 21 904.723755 20 972.351013 27 1010.320007 18 1121.488037 35.000004 1149.272705 18 1173.62439 21 END IONS BEGIN IONS FEATURE_ID=212 FEATURELIST_FEATURE_ID=Aligned feature list peak:212 MSLEVEL=2 RTINSECONDS=292.91 PEPMASS=129.01874 FEATURE_MS1_HEIGHT=5.582E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8:1320"] SCANS=212 Num peaks=79 59.517643 44 59.875885 19 61.447292 18 62.578907 18 62.665741 20 62.904877 20 67.808891 65 70.821739 18 71.89325 24 74.77179 46 85.029839 528 91.952034 20 92.61145 20 96.121796 18 101.251106 18 107.034599 21 111.005974 21 119.667137 22 129.016617 152 133.009384 17 134.331802 29 135.372528 22 137.111053 22 140.968109 18 146.968124 86 162.940018 17 163.783264 18 173.413513 22 186.31134 18 196.396713 18 199.472412 18 211.318832 22 213.321823 20 222.618576 18 226.132202 20 231.94165 20 232.756088 23 237.616989 24 250.972565 20 265.093231 18 270.86557 18 272.062561 18 272.755402 40 293.807007 18 302.503235 20 309.761841 48 318.906677 18 342.894257 20 346.694397 18 358.121429 28 366.470062 18 383.198517 24 391.060089 18 416.401794 22 433.213287 17 441.190399 18 443.498962 18 466.156189 20 478.035217 18 483.658905 17 509.218506 37 531.966309 20 584.774841 32 658.862671 30.999998 719.042908 18 749.255737 18 798.357727 18 821.864807 18 901.376282 20 903.983582 20 918.143372 17 936.94165 18 954.229309 25 1023.925354 17 1083.928345 20 1091.780029 18 1137.128052 18 1170.867798 17 1180.874512 18 END IONS BEGIN IONS FEATURE_ID=213 FEATURELIST_FEATURE_ID=Aligned feature list peak:213 MSLEVEL=2 RTINSECONDS=293.66 PEPMASS=194.99623 FEATURE_MS1_HEIGHT=7.138E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8:1414"] SCANS=213 Num peaks=147 52.032578 39 52.72805 21 53.381474 18 55.139614 18 56.346405 19 57.033749 19 57.202152 18 59.388565 20 60.518032 18 60.786102 24 61.988377 21 63.602413 18 65.433289 19 66.936142 18 67.935776 20 69.590912 18 70.142723 17 71.648849 31 73.635864 20 75.009796 34 75.34549 21 78.180511 19 79.335037 18 79.956009 56 80.288994 34 80.964691 1578.479004 81.447647 25 81.743362 22 81.776703 22 81.969841 67.737633 82.101646 18 82.960091 109 87.043907 19 89.01976 27 90.9235 20 94.288155 21 96.019974 17 98.836723 20 103.917946 18 105.250969 22 108.042007 21 114.055855 140 116.176857 18 120.998192 40 125.165909 19 126.630295 20 134.960938 20 135.016052 54 135.232834 23 136.251526 28 137.354462 20 139.052338 27 139.069794 21 142.370972 22 144.065826 18 146.081848 25 146.969009 92 149.495834 27 151.007736 60 151.074707 18 152.446304 25 153.106888 29 158.854904 18 159.889206 27 169.962769 20 173.65712 17 176.88826 18 179.035553 18 181.004959 20 182.344589 34 182.376801 18 183.003723 18 184.657074 20 185.686218 20 188.286804 20 194.996536 717.752197 195.379059 18 195.998947 55 196.032776 31 196.538574 20 196.761353 20 196.989319 43 197.749664 22 199.740677 18 206.986618 30 208.878235 18 219.022766 21 235.164169 17 244.351624 22 258.410706 20 266.316742 17 268.004791 20 280.199707 18 282.081909 21 311.110535 22 315.75946 24 321.945679 17 321.998535 25 330.026703 22 334.690063 17 336.715485 17 344.194946 18 370.912598 18 385.10733 20 386.094849 22 391.716644 82 394.058319 28 405.539886 17 407.591522 17 423.051788 27 426.872528 20 429.051086 22 432.100464 37 439.020966 17 508.660004 18 535.9552 18 544.308716 18 561.27948 23 568.30188 22 569.126892 20 580.765503 17 679.043457 26 681.973877 18 709.891846 21 718.77533 22 771.118774 21 797.485779 21 816.655884 18 817.165649 25 823.393372 28 831.092102 18 848.184753 30 881.842224 22 900.039368 18 901.058044 20 934.835083 18 970.83197 22 972.066101 19 990.164734 22 1021.251648 20 1066.957275 18 1137.182617 19 1137.446777 20 1139.912476 20 1140.255371 49 1143.129761 60 1195.68811 22 END IONS BEGIN IONS FEATURE_ID=214 FEATURELIST_FEATURE_ID=Aligned feature list peak:214 MSLEVEL=2 RTINSECONDS=294.56 PEPMASS=114.05556 FEATURE_MS1_HEIGHT=1.513E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8:1587"] SCANS=214 Num peaks=88 50.191708 20 55.536018 19 55.933212 23 63.996262 20 67.192551 20 70.169197 27 73.027481 20 74.597855 29 74.721252 18 75.191383 18 76.670013 20 78.894691 17 80.462639 20 82.82605 49 83.146729 26 86.022873 54 86.684875 18 87.95118 20 91.703568 37 97.009323 17 99.922836 72 102.395493 20 110.694511 34 112.040031 62 113.017342 18 114.055397 5881.174805 114.842827 18 115.059181 321 115.917709 70 116.064308 180 116.927734 126 117.018372 37 117.925514 38 120.825714 17 125.866066 19 146.965515 20 153.066818 49 153.304947 18 156.459869 20 164.232315 20 166.110046 30 172.155426 18 181.567657 20 182.286774 18 189.080887 21 192.507904 20 196.887909 27 202.608734 22 202.663773 17 207.080597 20 208.707428 20 214.882706 37 227.502747 24 241.873184 23 253.200241 24 258.956543 18 259.257782 28 286.15799 18 291.057373 20 295.224426 17 298.999359 20 300.125916 29 301.269562 20 322.077118 18 332.048401 20 332.088776 18 342.508453 19 350.12207 26 355.226166 22 355.448486 24 361.663879 24 365.083221 20 405.192261 26 420.114319 18 432.096252 22 434.125122 18 441.949066 85 529.757446 18 552.200012 18 610.324585 28 651.151489 17 651.991272 20 693.148193 21 758.900696 18 822.053406 17 832.11792 20 1010.86499 18 1065.152344 18 END IONS BEGIN IONS FEATURE_ID=215 FEATURELIST_FEATURE_ID=Aligned feature list peak:215 MSLEVEL=2 RTINSECONDS=299.78 PEPMASS=210.08781 FEATURE_MS1_HEIGHT=6.807E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8:1378"] SCANS=215 Num peaks=141 50.896557 22 50.973255 22 54.375328 21 55.418919 22 55.685715 17 55.735218 43 55.753551 23 56.108067 20 61.986492 19 69.031754 20 72.045654 75 72.617676 17 73.028503 100 73.047249 19 73.506744 18 74.020699 18 78.033653 21 79.480202 17 80.037453 50 80.089355 20 80.443604 17 80.904228 20 81.04493 131 82.052742 26 93.032181 42.07077 93.044357 109.92923 95.713448 18 102.144089 18 105.032814 35 107.471619 18 110.071625 2262.969482 111.074364 53 112.040863 98 113.027893 18 113.039833 18 114.053131 22 118.041367 26 120.897346 51 120.960045 18 124.035469 18 128.348068 18 134.724792 42 135.341263 23 137.0336 105.999992 141.059921 20 143.048782 26 146.963379 17 148.088974 297 148.431122 18 148.891846 27 149.091888 32 151.078323 18 153.449539 22 154.062744 1157 155.066681 46 157.240402 23 159.89241 18 161.040604 20 162.996445 18 163.364029 24 164.088562 28 165.059174 17 166.050156 23 166.097382 95 166.605896 20 168.17981 18 169.095413 48 174.559433 22 174.967117 18 175.517517 27 176.049179 40 181.961884 31 183.069519 37 192.071503 21 193.047852 17 196.558701 22 197.131439 18 201.905212 18 209.945557 19 210.087204 815 211.093124 61 212.099274 26 213.051025 40 218.280106 61 223.571793 20 233.564575 18 233.791672 18 237.600677 29 239.920288 20 251.399307 20 261.140411 20 269.673767 18 272.264679 20 273.072174 24 283.07431 29 284.08847 18 301.983337 18 302.027924 18 305.966064 32 308.605072 18 311.654816 18 317.14917 26 320.334991 18 332.894348 20 335.9935 22 368.127655 17 369.673523 20 372.064423 24 373.047852 26 386.391144 23 397.115265 18 412.229584 18 423.121063 20 425.595032 20 432.096161 18 438.249664 19 463.652802 18 469.055878 19 477.65213 20 490.119659 18 501.020874 18 507.774597 18 535.854187 21 552.975281 24 561.732056 24 574.26062 17 622.770752 18 699.624695 17 712.231201 21 733.21405 19 771.248962 29 818.371826 18 834.40033 55 898.287048 17 962.482788 21 1019.525818 26 1039.266235 18 1109.208862 21 1118.932861 18 1180.957764 20 1187.994141 42 END IONS BEGIN IONS FEATURE_ID=216 FEATURELIST_FEATURE_ID=Aligned feature list peak:216 MSLEVEL=2 RTINSECONDS=301.08 PEPMASS=468.11039 CHARGE=-1 FEATURE_MS1_HEIGHT=1.254E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8:1499"] SCANS=216 Num peaks=128 55.072796 17 55.738972 18 57.43174 18 57.717564 18 58.47031 17 59.013264 18 61.930809 42 61.987804 1505 62.266373 23 62.515137 20 62.993141 64 63.994507 27 65.12149 18 66.251442 40 66.966614 25 67.263145 17 69.471626 24 70.493935 20 73.415558 18 83.370163 18 85.388947 19 85.494217 19 87.695145 19 87.927704 20 92.847313 18 96.961784 18 107.208092 46 107.888008 25 108.855614 21 109.698257 17 111.020439 82 111.293259 20 111.384308 18 113.000916 21 113.977707 18 114.949501 22 134.516571 21 137.089264 24 140.605133 22 145.053513 18 146.961441 42 147.104736 25 148.963394 17 149.129669 18 149.727829 22 149.741211 18 152.027008 20 160.855103 18 164.047684 17 170.068039 19 172.540115 20 175.84079 22 184.275513 40 188.390533 18 191.940445 18 194.911346 22 201.649704 18 206.020477 28 215.393265 18 215.994095 39 220.49231 20 241.891464 19 243.873886 20 248.979446 20 250.17186 18 250.903687 17 252.922394 26 255.901993 32 256.869141 18 260.542389 18 261.098633 21 268.055573 19 271.15387 17 273.686707 20 285.791351 18 293.17981 21 295.824066 17 306.990814 19 308.997772 22 314.068268 17 330.191833 17 340.235626 18 343.112061 27 346.882904 18 349.164886 18 369.998077 18 395.813568 18 404.455261 33 405.121216 65 406.115875 19 408.437164 27 412.747986 17 432.081299 23 466.98288 18 467.18634 18 467.728577 17 468.111847 363 469.108459 104 470.110138 35 471.53183 18 495.677338 40 504.589233 18 511.123047 25 511.369049 18 518.980103 18 523.970459 18 530.249634 20 542.408875 26 551.179993 24 565.048401 18 566.253662 18 583.770325 20 651.497375 30 677.521912 19 678.523804 20 726.765015 18 763.219543 17 787.918762 18 795.404419 24 865.931824 18 894.997009 33 950.216309 25 1046.9646 23 1052.393433 20 1088.86853 28 1161.523926 18 1170.580933 20 1170.772705 31 END IONS BEGIN IONS FEATURE_ID=217 FEATURELIST_FEATURE_ID=Aligned feature list peak:217 MSLEVEL=2 RTINSECONDS=301.79 PEPMASS=432.09895 FEATURE_MS1_HEIGHT=1.066E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8:1457"] SCANS=217 Num peaks=121 51.934429 21 56.300934 20 57.396152 18 60.755859 22 61.987782 1969.762817 62.429317 18 62.984039 18 63.988579 22 67.173416 24 67.388039 20 68.027016 19 73.029007 17 78.645851 20 79.953163 18 80.884544 22 82.767685 19 85.176323 18 85.713234 18 89.025238 17 90.837898 20 93.904938 22 94.254898 21 95.621948 20 98.318512 20 99.04483 17 106.381332 20 112.983368 18 113.853973 18 114.051552 18 114.25103 18 114.76342 29 117.47258 20 123.164207 18 125.786797 18 128.188492 20 138.885208 20 143.785812 18 146.967224 84 147.09967 17 148.232773 22 152.990067 17 160.456772 20 160.558899 26 161.041656 40 162.932083 35 164.0522 19 166.052414 23 166.418137 40 168.990082 31.999998 170.592987 20 172.041977 24 172.957489 30 174.974945 18 175.236801 18 178.69603 22 178.951004 18 181.593262 18 181.886429 18 183.06192 18 186.015121 17 187.139038 18 193.986115 20 196.454391 18 198.522552 22 204.921402 18 206.063141 18 207.052109 23 211.706726 22 211.823166 18 211.954193 24 218.955032 27 223.054581 34 244.845871 19 245.937469 19 246.474686 18 246.733856 23 250.064209 24 252.233597 20 252.888916 18 263.400787 24 265.390869 18 267.30069 24 268.702332 23 276.2388 18 276.281525 22 280.582428 21 287.079956 48 290.647675 18 290.887329 18 294.305023 22 302.269867 17 304.852112 17 305.001404 23 306.81604 17 307.707977 18 311.947449 25 317.585907 20 325.304108 20 330.834412 24 342.728149 26 367.134125 17 370.133545 18 378.256378 18 403.74826 17 432.098877 407 434.107544 20 440.8526 21 454.647125 20 471.398315 18 538.474487 17 572.430176 17 670.529724 24 730.407104 22 870.886047 18 957.863464 17 1050.854614 17 1059.888184 23 1060.148315 18 1084.055664 44 1192.08667 20 1194.482422 18 END IONS BEGIN IONS FEATURE_ID=218 FEATURELIST_FEATURE_ID=Aligned feature list peak:218 MSLEVEL=2 RTINSECONDS=302.42 PEPMASS=181.07138 CHARGE=-1 FEATURE_MS1_HEIGHT=8.137E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8:1632"] SCANS=218 Num peaks=240 50.059139 18 50.676826 20 51.904045 21 52.381134 19 53.327007 18 54.750515 24 55.019375 202 55.143215 25 55.530693 17 56.457863 17 56.995743 19 57.789604 22 58.002789 24 58.035526 18 58.815845 18 59.013206 1746 59.03027 39 59.254765 18 59.403519 20 59.861885 21 60.017506 68 60.082943 24 60.146225 18 61.01825 18 61.498833 20 61.969349 22 62.380196 20 62.422852 60 62.515411 20 62.877445 18 63.415771 25 65.373795 18 65.56794 19 68.008904 20 68.483421 19 69.03492 212 69.340462 39 69.86158 18 70.036888 17 70.237206 30 70.698143 17 70.754585 17 70.961189 18 71.01342 5010.324707 71.222992 40 71.355507 20 72.017441 150 73.02832 1430 73.052917 21 73.082848 21 74.031197 57 75.907776 20 77.744942 22 77.921104 18 78.307846 24 78.663055 22 78.840462 18 78.847977 19 79.959503 28 80.767624 18 81.035606 37 81.346619 16.08742 81.353989 43.267818 81.655731 30 81.902199 19 82.585205 23 82.839607 18 83.013222 503 83.558311 23 84.01651 35 85.011871 23 85.02919 991 85.40403 18 85.758583 20 86.032166 148 87.007324 17 89.024025 3435 89.069641 68 89.947838 19 89.985817 20 90.004608 27 90.027504 163 90.093102 18 90.551208 38 91.03978 100 91.707489 18 93.212257 22 93.293869 20 93.89991 25 94.872185 25 95.012589 70 95.529198 18 95.7668 20 95.821938 18 97.029205 354.260468 98.566185 19 100.528702 17 101.02372 3662.50415 101.124458 18 101.549835 18 102.027428 278 102.178741 20 103.039406 138.742676 103.679825 30 105.406578 18 106.715393 18 109.171921 22 110.556938 18 110.947731 24 112.30899 27 112.980911 18 113.023499 534 113.391869 20 113.481903 18 113.551476 21 114.351189 22 114.920692 17 115.041016 400.93396 119.034454 573 119.154594 20 119.889908 18 120.767685 21 121.03833 18 121.052971 58 122.827736 29 124.606567 20 125.555008 25 125.793915 21 127.039597 26 127.142288 18 128.558014 23 130.145447 20 130.601532 19 130.742249 30 131.035339 370 131.810867 20 132.039154 18 133.048584 18 133.548462 20 135.828186 20 136.293503 22 138.28035 18 138.86557 18 141.499802 51 143.0401 20 143.470215 22 144.392426 19 144.660751 18 145.052795 21 145.578156 27 146.054352 18 146.321808 30 146.963181 27 147.387634 18 149.047546 162 150.376038 27 153.421616 17 158.381073 18 161.042923 66 162.020889 26 163.059906 598 163.418335 18 164.068588 37 166.857697 28 171.138458 29 176.417953 22 178.449158 18 178.551636 22 179.037491 26 179.057541 38 179.605377 18 180.8423 17 181.071381 5893.805664 181.260712 18 182.07283 543 182.317795 28 182.476379 21 182.653946 20 183.075943 144 184.889069 17 187.087753 19 187.285843 27 188.953766 18 189.481659 18 189.931625 20 195.889938 36 197.923279 18 203.619598 18 204.84227 18 205.060867 24 208.373871 18 209.345642 20 209.551498 19 211.400375 26 215.128448 17 227.079071 42 232.768707 18 234.730255 32 237.516434 18 240.774887 24 245.024521 18 253.481628 18 254.915649 33 264.721283 22 266.938721 28 270.59201 23 272.0672 18 272.787415 18 278.78241 23 278.98172 22 280.536407 22 282.365753 18 282.644318 20 284.035706 35 285.825165 20 286.168884 21 290.639099 17 296.136627 18 301.258087 18 308.763092 26 323.109772 68 350.154846 21 356.281982 17 357.532288 17 376.20401 18 377.292023 18 388.353973 20 411.539307 17 488.049072 20 729.458008 51 982.609802 20 1006.16925 18 1068.769531 17 1105.529175 24 1125.500854 18 1154.323853 18 1167.450928 18 1179.60144 20 1183.499268 20 1186.61792 18 END IONS BEGIN IONS FEATURE_ID=219 FEATURELIST_FEATURE_ID=Aligned feature list peak:219 MSLEVEL=2 RTINSECONDS=306.23 PEPMASS=128.95891 FEATURE_MS1_HEIGHT=1.435E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8:1482"] SCANS=219 Num peaks=269 50.199162 18 50.456802 36 50.788445 17 51.351898 18 52.350246 19 52.38924 19 52.67086 18 53.096889 17 53.716408 18 54.333199 24 54.43029 20 54.459183 22 54.996555 17 55.037155 22 55.161518 20 55.501793 24 55.55801 20 56.521458 17 56.957542 20 57.276184 18 60.794697 19 61.060772 39 61.857613 54 61.956726 26 62.873917 41 62.94017 26 63.308979 24 63.414585 26 63.594067 20 63.766376 23 63.879269 19 64.025215 41 64.43058 22 64.826744 22 65.937317 20 66.165733 48 66.296974 37 70.569191 31 72.843468 28 72.891312 18 73.565498 31 74.003883 38 74.082405 21 75.531853 21 76.195969 24 76.225067 20 76.368019 18 78.189987 18 78.737503 19 78.852798 18 80.036842 17 80.151627 18 80.286835 22 82.100418 20 82.359505 18 82.885765 18 85.673363 18 86.00544 22 86.032784 30 86.460045 49 86.584679 19 86.608994 30 86.650383 18 86.715393 20 87.497604 19 87.553299 20 87.612808 28 88.107277 25 88.479561 18 88.845718 17 88.877869 20 89.927696 33 90.355324 34 91.918877 22 92.134254 39 92.270515 18 92.660431 44 92.680893 18 92.814522 25 93.47493 18 95.163895 54 95.252052 19 96.721451 23 98.099564 22 99.663475 43 99.704567 17 101.264221 37 101.520699 20 102.403885 19 102.561348 21 103.017159 21 103.640755 23 103.662605 23 103.964806 21 104.248581 18 104.774719 20 105.15892 17 106.206581 20 107.327957 18 108.114128 27 110.453163 22 111.686371 32 114.319557 22 115.756119 17 115.923264 23 116.959183 21 117.538307 18 118.464539 43 119.252594 23 119.607628 20 120.767075 17 123.607819 19 124.091171 21 124.670876 25 125.289101 22 125.387199 20 125.426643 24 125.955818 17 126.110764 22 126.848381 18 128.959442 195 129.777161 17 131.550308 20 131.832779 18 133.209946 18 133.810532 22 133.997528 40 134.787888 20 136.548325 19 137.14415 18 138.904877 22 140.112839 18 140.750214 22 143.284729 21 143.623749 36 144.506622 35 146.30751 18 146.566696 45 146.896759 20 146.940811 31 147.231949 30 147.28334 30 147.420258 18 148.316971 18 149.114624 94 149.868652 18 150.03566 21 151.888077 20 158.104706 21 158.396042 18 161.043274 18 161.340973 34 162.184204 20 162.560364 20 162.937378 18 164.625 17 165.119095 22 165.232162 65 165.380539 23 165.497971 28 170.650711 25 172.332825 18 173.015549 20 175.885086 20 180.919296 18 181.074005 17 181.225693 58 183.621857 34 184.384018 22 185.700104 18 188.515442 27 188.997665 27 190.475616 20 191.665665 17 194.89621 22 204.814117 29 205.708267 23 206.598709 30 206.687714 25 209.787338 18 212.406891 22 212.886322 41 212.972336 24 214.63118 18 218.457184 23 221.313629 20 222.312531 20 223.546371 18 225.190338 28 226.044693 17 244.049728 47 244.949219 17 246.62912 25 247.078827 18 248.221085 19 249.006073 27 249.738327 17 252.265152 42 254.463501 33 258.062561 28 259.213287 18 260.082886 18 260.466248 17 261.034973 20 263.010345 20 266.817566 52 267.392395 20 276.68985 24 277.775421 18 285.859314 23 288.818787 22 290.134521 24 291.24115 23 296.886292 18 298.884216 18 299.416199 18 313.873138 20 315.229248 20 318.795471 74 333.303467 32 337.244141 22 343.574707 20 350.225555 56 365.870026 18 369.086151 17 370.754364 20 373.07843 51 380.817535 19 380.855194 18 384.812775 20 417.656738 20 418.462616 26 422.727051 19 476.570953 24 552.682068 24 565.311462 32 565.644897 24 565.740601 18 586.842346 44 634.380676 19 639.268494 20 643.432861 20 652.115051 53 678.800537 23 754.925171 27 756.956177 18 773.639465 21 788.588745 20 800.644531 35 821.407043 17 874.623901 18 890.616394 19 968.582092 38 971.601868 18 979.049927 20 986.952576 18 1012.546631 23 1037.282837 20 1094.53772 49 1095.506714 20 1103.180908 27 1114.534912 17 1136.513672 18 1137.467896 21 1139.496094 20 1142.505005 17 1168.832642 29 1183.461426 20 1188.99353 19 END IONS BEGIN IONS FEATURE_ID=220 FEATURELIST_FEATURE_ID=Aligned feature list peak:220 MSLEVEL=2 RTINSECONDS=306.30 PEPMASS=296.88145 CHARGE=-1 FEATURE_MS1_HEIGHT=1.226E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:1826"] SCANS=220 Num peaks=160 50.232857 17 50.793346 17 53.461239 18 54.257622 28 56.394302 20 58.14439 20 59.410343 17 59.74094 27 60.425602 18 61.122295 33 61.468655 23 62.231056 20 62.690426 18 63.144203 19 64.058418 22 64.421455 18 65.570129 18 65.67276 25 65.713722 20 66.247505 20 66.720451 28 67.6642 19 68.301514 32 70.217293 18 70.281792 23 71.166702 21 73.701874 19 74.73481 46 78.440826 18 78.892784 20 81.003479 24 81.58873 25 81.75235 67 83.150002 68 84.636848 23 84.965706 20 85.647873 62 86.297653 24 86.648827 18 87.302773 24 98.019051 22 99.120964 21 100.920334 28 101.57518 18 103.560364 18 105.48999 29 111.809692 22 111.922829 40 112.714439 37 116.560776 22 118.208115 25 118.980064 18 119.029503 25 119.39045 25 125.379745 29 126.713074 22 127.067635 18 127.490067 19 127.911491 18 128.010941 51 128.425323 23 128.959335 8016.30957 129.068512 21 129.5159 18 129.712982 17 129.859497 18 129.963852 301 130.120529 24 130.153702 19 130.958511 764 131.251053 20 131.96019 17 132.189621 18 133.163727 30 133.664185 26 133.807007 37 134.645676 18 137.027374 19 138.329803 18 141.079987 31 146.204422 21 149.019577 33 150.679306 20 157.788696 18 160.046265 19 162.145096 68 163.416534 30 163.487839 24 168.602982 19.968136 168.618637 31.031862 169.483627 19 176.223068 40 176.840439 21 181.073334 43 183.007401 27 183.062042 20 191.715347 33 191.794006 45 194.005844 18 196.023926 26 196.900284 18 197.029953 21 199.041687 34 203.072998 18 203.611633 17 208.760483 18 212.109772 20 214.399338 38 214.921677 25 225.646515 22 229.320892 27 233.838562 19 239.076385 24 239.650543 27 240.575546 20 245.299576 26 262.622467 23 267.349365 22 272.956024 22 277.807648 32 279.224976 25 289.297028 23 291.593781 20 296.062683 18 296.882538 93 297.152496 53 298.153198 37 298.88269 17 299.757629 21 300.155945 20 305.406372 20 342.942444 18 353.13858 22 355.967712 18 386.263123 26 409.900116 37 480.301056 28 483.530121 23 505.149109 22 510.663269 20 515.71759 21 531.508301 22 625.501282 18 628.868347 19 632.717468 20 695.01886 18 776.105225 18 788.196655 18 794.373474 20 849.708801 20 928.696411 20 977.468628 17 1011.742371 31 1012.547546 17 1014.421448 25 1032.913208 31 1054.546509 17 1095.530518 45 1137.511108 18 1167.966309 18 END IONS BEGIN IONS FEATURE_ID=221 FEATURELIST_FEATURE_ID=Aligned feature list peak:221 MSLEVEL=2 RTINSECONDS=306.48 PEPMASS=380.84315 CHARGE=-1 FEATURE_MS1_HEIGHT=8.15E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:1827"] SCANS=221 Num peaks=58 72.99128 18 99.531052 20 118.222855 28 119.138435 18 120.784851 18 124.402756 23 128.958893 18186.791016 129.01445 18 129.274582 18 129.637085 27 129.799484 18 129.961365 354 130.219528 37 130.340973 20 130.550552 20 130.95813 1386 131.235184 18 131.969406 18 135.422012 22 139.189377 45 140.022781 19 167.937592 18 192.123688 27 197.88652 19 212.921631 521 213.791946 19 214.916504 122 215.042191 20 215.841309 28 215.929153 22 223.098923 18 226.383377 34 229.960815 24 241.187119 22 275.887451 19 296.861389 18 296.966766 18 297.142609 25 297.58429 31 305.472595 19 321.101837 18 332.133606 21 335.586151 24 345.246979 20 350.15976 25 357.061188 24 381.119019 26 381.223694 21 381.256531 26 421.07666 27 440.934174 28 585.196899 20 612.07489 21 746.047424 22 769.120667 28 880.628967 22 899.086365 17 1102.223389 20 END IONS BEGIN IONS FEATURE_ID=222 FEATURELIST_FEATURE_ID=Aligned feature list peak:222 MSLEVEL=2 RTINSECONDS=308.76 PEPMASS=181.07127 CHARGE=-1 FEATURE_MS1_HEIGHT=9.011E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8:1691"] SCANS=222 Num peaks=339 50.054127 18 50.076569 18 51.242878 18 51.262436 20 51.642902 23 52.451336 18 53.017742 25 53.037495 18 53.449219 28 53.944363 17 55.0177 391 55.308697 42 55.723736 18 55.731976 26 56.624771 17 56.761223 20 57.000099 18 57.032169 75 58.003506 36 58.164978 41 58.190353 23 58.938431 20 59.013611 4533.305664 59.246563 18 59.369785 21 59.666031 21 60.018364 174.549301 60.320217 20 60.354229 32 60.809517 28 61.01899 92.965553 61.028641 18 61.114548 20 61.24255 21 61.880505 21 62.628624 27 62.709686 20 62.996262 21 63.700176 18 63.924271 22.999998 64.343102 20 64.69178 19 65.444725 17 65.539642 21 65.570992 18 65.593086 35 65.72438 21 65.748451 20 66.28212 20 66.334976 20 66.751427 18 67.017433 21 67.20121 22 67.795197 25 69.03376 147 69.080391 18 69.168198 18 69.451576 17 69.89695 42 69.998665 25 70.995171 16.689306 71.013359 8409.068359 71.033546 72 71.048592 22 71.215775 18 71.480461 18 71.70948 50 72.016594 393.598145 72.041512 20 72.204094 17 72.742889 19 73.029007 1821.370239 73.10463 19 73.326935 29 73.354271 17 73.408592 24 73.545113 18 74.035141 86 74.672516 18 75.607086 18 76.59185 25 76.999031 28 77.350838 29 78.046532 22 78.070343 18 78.20649 18 79.013954 19 79.395607 24 80.100708 21 80.177841 18 81.027931 18 81.060104 31 82.283005 18 82.938011 17 83.01368 860.964844 83.194992 19 83.271645 44 84.018425 72 84.973366 45 85.029266 2248 85.770042 19 85.998764 17 86.03083 45 87.009422 105 87.043991 41.326439 88.012581 18 88.022575 18 88.109253 20 88.532669 18 88.584236 33 89.024078 6136 89.272896 22 89.695381 23 90.027428 277 90.170525 23 90.408882 22 90.525955 23 90.763657 19 91.034935 45.08469 91.151573 23 91.263885 18 91.651184 22 94.255341 17 94.492828 18 96.555153 21 97.028702 496 97.562431 18 98.001297 20 98.032082 19 99.046349 38 101.023956 9381.927734 101.566391 36 102.026962 350 102.08374 22 102.742104 22 102.754265 22 103.040009 171.161789 103.438736 26 103.558571 28 104.162338 18 104.36058 22 105.752083 18 106.707268 18 107.647697 18 109.030235 20 110.275406 60 111.044373 25 112.167572 24 112.571968 20 112.985039 19 113.024422 1057.187378 113.678383 19 113.799026 28 113.865654 18 114.029022 112 114.708008 37 114.891052 22 115.040634 304 115.956886 50 116.038223 20 116.10421 18 116.191574 21 116.993347 18 117.131645 23 117.547287 21 117.76284 25 118.31852 28 119.034836 1324.70459 120.036636 78 121.048332 61 121.100739 40 121.755264 40 125.952171 20 126.551308 18 127.042046 30 127.808006 22 128.012985 44 128.040863 18 128.47142 18 130.729782 21 131.034897 716 132.038132 18 132.201736 37 132.532547 18 132.642563 20 132.907104 18 132.924423 41 133.046448 26 134.062073 26 134.504105 21 134.594589 29 135.719757 21 138.052917 36 138.764511 20 139.758804 18 140.198944 20 141.460419 37 143.034897 160 143.111465 20 143.280746 20 143.530838 32 145.051682 49 145.951538 18 146.041595 68 146.682373 27 149.013748 18 149.042648 280 149.678513 18 150.046936 18 150.216171 22 150.58638 19 153.090622 17 156.17247 22 158.277802 23 161.046875 190 161.941818 20 162.058136 18 162.113754 19 162.634491 17 162.937119 25 163.061752 2001 163.891418 20 164.061188 127 165.069931 88 165.449493 18 166.973175 17 169.317276 22 174.302948 20 174.335876 19 177.305984 18 177.340042 20 177.796082 51 179.056931 130 179.491333 17 180.069931 23 181.008896 40 181.071823 8945.450195 182.074921 833.480103 183.078384 206 183.751984 19 183.933289 29 183.975983 22 185.427399 25 190.62265 20 190.914337 20 197.610474 22 199.205444 30 199.828323 18 200.728348 23 200.759262 24 201.920273 20 206.604385 24 206.778946 19 209.120895 21 211.847809 29 213.406067 18 213.975739 34 215.92395 26 224.318542 18 225.065002 51 227.072937 17 234.758362 20 238.002045 19.999998 242.745255 17 246.279556 22 248.724808 18 249.607269 18 253.651169 18 254.231857 17 254.63623 18 261.126251 23 266.89386 18 269.652893 21.999998 274.578979 25 275.872467 18 278.292542 18 278.803497 22 281.709808 22 283.004272 20 283.202881 31.000002 291.501038 20 313.951324 20 324.896851 27 338.99884 18 339.915009 24 341.10733 90 350.638031 18 356.970245 18 359.700928 18 362.512115 22 374.289429 18 379.2742 17 381.850952 34 383.357361 36 384.675354 25 397.842926 45 415.09787 19 416.122711 17 441.293671 24 453.331055 18 476.102997 43 483.793793 18 486.328766 48 499.775757 20 500.504181 17 634.719788 18 635.242859 23 636.715637 17 637.194519 26 718.699463 21 847.476746 18 856.446655 20 897.650635 18 901.6026 22 919.607727 24 923.530396 17 955.679016 19 987.557495 18 989.568909 20 1003.868408 18 1004.554443 39 1017.339844 53 1036.988403 18 1052.775146 23 1077.047363 21 1084.134155 17 1086.704834 24 1104.584717 19 1105.856201 18 1130.760498 21 1133.173462 39 1135.324707 19.999998 1142.316895 17 1144.530884 26 1157.959717 19 1174.728882 21 1178.171875 29 1183.506104 33 1198.483643 18 END IONS BEGIN IONS FEATURE_ID=223 FEATURELIST_FEATURE_ID=Aligned feature list peak:223 MSLEVEL=2 RTINSECONDS=309.25 PEPMASS=101.02382 FEATURE_MS1_HEIGHT=5.763E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8:1697"] SCANS=223 Num peaks=56 52.909969 20 54.236969 17 70.338997 18 73.026001 17 84.158928 20 88.827553 31 93.020294 18 101.201073 65 105.603577 26 105.764641 18 108.906769 22 115.963364 20 118.900864 22 119.329071 22 121.720673 21 125.197678 18 130.279877 20 135.963699 28 139.199951 21 141.13649 19 143.353943 34 146.702225 19 149.817215 18 152.963287 25 153.509521 27 153.859039 18 164.922058 18 165.175446 21 169.553482 35 170.843491 24 175.565964 19 177.421524 17 182.672821 37 184.802628 24 194.655716 26 205.221588 18 227.07843 18 228.099258 23 230.051163 18 238.562027 23 239.009766 18 240.987701 25 260.369965 20 263.088806 22 276.174042 20 280.213348 18 311.264099 20 316.127228 27 320.427002 34 321.693787 38 338.493408 21 353.013458 22 376.271057 28 438.649658 20 444.10791 18 484.341675 22 END IONS BEGIN IONS FEATURE_ID=224 FEATURELIST_FEATURE_ID=Aligned feature list peak:224 MSLEVEL=2 RTINSECONDS=309.25 PEPMASS=163.06056 FEATURE_MS1_HEIGHT=8.051E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:1846"] SCANS=224 Num peaks=251 50.293488 24 50.535225 22 50.629189 18 51.786858 25 52.446262 20 52.502758 45 54.391308 22 54.73716 20 54.994011 27 55.037189 18 55.054287 39 55.124783 33 55.209381 20 55.977631 28 56.691059 22 57.164391 18 59.01366 40 61.024307 18 61.085739 21 61.395481 18 62.748608 20 62.881718 28 62.90958 20 63.28138 19 63.736389 42 64.700256 33 64.764435 20 65.413071 20 65.541412 17 65.823067 20 65.850876 70 66.308723 20 66.422523 20 66.6586 18 67.338013 49 67.68866 24 67.71032 18 68.167709 20 68.396614 17 68.608376 18 69.186234 20 69.222176 24.000002 69.434784 18 69.798134 22 69.957169 23 69.977844 18 70.651909 20 70.734428 18 70.804543 17 70.97361 37 71.014717 19 72.058884 20 72.485161 29 73.711655 25 76.503494 22 77.286026 17 79.605942 20 79.88401 18 80.000496 20 80.183197 20 80.828003 22 81.792595 22 82.606514 22 83.013397 20 83.117874 20 83.233284 19 83.516747 23 84.060669 30 85.030258 22 85.168472 20 86.957886 22 87.361343 24 88.654045 25 89.30938 30 89.775513 25 90.121574 17 91.75238 35 92.049103 18 92.485329 18 92.829353 18 93.419586 19 94.4664 19 94.875298 19 95.954193 20 96.787804 24 97.895348 27 98.182884 22 99.044777 25 99.722038 30 101.02343 17 103.216652 22 104.805344 17 106.730736 25 106.862343 25 106.932999 29 107.381836 18 107.46875 20 110.685478 18 111.597557 17 111.825066 19 112.258682 20 113.691849 20 116.849709 25 119.702286 20 120.438919 42 121.911476 17 124.761459 18 125.712776 36 126.41864 29 126.601662 26 126.79689 18 128.564835 27 128.959122 62 130.716858 33 130.777969 17 130.963806 25 131.038879 18 131.491302 17 131.945068 18 135.47319 17 136.015686 18 138.052063 31 139.302567 23 141.450851 24 143.113449 19 143.149963 38 143.980789 22 145.057343 17 146.856506 20 150.694611 30 151.196915 38 152.91507 18 153.444839 28 153.516388 18 156.746109 56 156.903183 20 158.484924 18 159.823212 19 162.051193 22 162.236847 35 163.061859 94 163.321335 24 164.90979 17 165.197311 20 166.051102 39 168.073257 25 168.635025 20 168.96077 20 169.649826 30 170.639297 20 170.931244 29 171.083145 32 171.456146 48 179.050995 18 182.078903 36 182.914612 18 184.967667 20 185.578598 26 189.502792 21 189.82782 19 192.764633 29 194.074097 20 196.82692 31 200.09549 21 200.397675 27 202.789627 19 206.000549 19 213.380478 24 219.142944 30 221.949493 18 222.060959 18 227.075562 38 229.076904 26 235.477722 22 236.527023 25 238.090942 26 238.779129 18 241.681564 30 241.769608 32 246.262421 36 248.164154 22 248.532974 22 252.450302 25 253.502975 23 253.60907 22 257.808044 23 262.075073 25 264.08606 19 280.233093 22 280.541565 21 282.770355 19 295.663666 18 303.034332 18 313.830109 19 314.595581 25 320.529785 20 322.289032 21 325.857452 20 326.801514 36 328.717621 18 330.267548 23 333.995056 17 334.551971 22 334.98822 24 336.523254 21 338.952209 26 341.103333 19 342.894318 26 345.231384 17 350.933105 24 357.404327 19 358.622406 18 376.285217 27 382.862946 18 407.058624 17 423.611664 18 430.617462 30 464.817474 22 497.154205 33 516.983459 22 554.905945 18 575.234558 26 589.484619 17 598.254333 30 615.729248 23 631.190979 19 645.516541 18 808.468445 18 824.460815 20 848.247681 17 889.701294 18 918.877869 26 970.555481 17 971.607483 19 984.077332 18 1010.740906 18 1011.067017 20 1011.538269 17 1036.297363 20 1052.517334 24 1054.552368 33 1061.596069 18 1132.495239 19 1140.459961 34 1144.602905 19 1155.156372 17 1174.045898 20 1174.528442 20 1179.453003 25 1189.44043 20 1194.629761 18 END IONS BEGIN IONS FEATURE_ID=225 FEATURELIST_FEATURE_ID=Aligned feature list peak:225 MSLEVEL=2 RTINSECONDS=309.81 PEPMASS=499.07031 CHARGE=-1 FEATURE_MS1_HEIGHT=1.317E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8:1546"] SCANS=225 Num peaks=135 59.013988 62 59.867596 24 62.141056 23 71.01355 203 73.030396 20 80.044533 18 85.030197 20 85.905594 34 87.008453 185 88.009933 18 89.024582 598 89.337616 21 90.805611 23 101.023163 399 102.024811 18 103.037827 37 107.035446 20 108.863785 20 111.031929 18 113.022957 234 113.802727 21 114.02623 24 119.035263 609 120.041328 18 125.047211 28 127.088844 24 127.959 21 128.035431 80.511093 128.050583 21.488905 128.814682 18 128.959122 5619.057617 129.017487 61 129.055023 82 129.962738 116 130.018463 23 130.050629 99 130.091644 51 130.391724 26 130.712952 19 130.957291 451.670502 131.003372 59 131.035461 93 131.054825 18 131.967926 21 132.08255 21 133.054459 42 133.752487 33 134.364929 24 142.511536 23 143.035736 260 144.036697 41 145.043976 30 149.045853 92 152.569473 22 153.510574 20 157.091858 18 161.045456 373 163.052078 24 172.990692 19 179.055466 1105 180.059586 38 181.057327 18 199.751724 17 202.99025 38 212.025589 26 215.132706 20 217.25 25 221.065613 19 225.129745 18 225.716385 26 226.015579 20 230.977875 21 249.637009 19 251.837234 20 260.422638 20 260.661285 20 263.074738 26 271.352051 20 273.215668 19 275.713806 18 281.09021 24 285.36615 20 305.088379 18 318.245209 18 323.097504 1075 324.103882 222 325.108673 45 336.137207 20 337.038513 20 337.441772 25 338.947876 17 340.955963 25 341.107819 9272.97168 341.200592 17 341.346771 18 341.374084 20 341.425293 22 341.685211 18 342.114532 1469 342.37738 42 343.110352 206 343.482269 18 345.024902 18 346.774353 25 351.09079 22 354.914612 23 369.10437 839.437439 370.106171 97 371.10437 20 371.194458 21 372.114471 31 383.521606 24 397.096954 19 407.155853 42 415.108612 2842 415.235382 18 416.113953 639 417.109528 160 418.207001 17 419.222809 21 433.957184 18 435.384552 30 435.833221 20 456.335144 36 498.169373 44 499.069153 23 499.170624 56 500.152588 18 501.13205 36 555.824463 23 590.420959 20 618.054382 17 651.703125 20 777.306091 27 828.3526 23 END IONS BEGIN IONS FEATURE_ID=226 FEATURELIST_FEATURE_ID=Aligned feature list peak:226 MSLEVEL=2 RTINSECONDS=309.94 PEPMASS=443.1039 CHARGE=-1 FEATURE_MS1_HEIGHT=2.056E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8:1552"] SCANS=226 Num peaks=106 55.01675 37 56.833996 23 57.18745 20 59.012989 316 59.186867 18 59.265411 20 71.013542 634 71.131744 18 72.99041 40 73.021301 21.622892 73.031006 42.377106 75.007179 113 83.016518 18 85.029472 39 87.007935 405 87.045364 33 89.024681 1745 89.217667 17 90.026138 59 95.01239 56 97.02771 20 99.007797 18 99.042839 24 101.024315 1375 101.386009 20 102.029198 38 103.025467 37 103.510162 18 107.033394 24 109.032578 18 111.364029 19 113.024315 568 114.028732 19 117.015732 20 117.347572 18 119.03437 1305 120.03978 138 125.025085 17 126.027054 35 129.019058 22 131.038422 116 132.688873 24 143.034653 452 144.03479 20 146.560104 18 149.043686 246 160.170013 17 161.045273 677 161.726486 20 162.047974 41 163.049133 18 166.240982 22 169.5354 19 178.287582 18 179.055344 2767.947021 179.103683 19 179.122589 21 180.057205 168 180.621597 22 182.23291 25 182.82872 18 193.793182 20 198.595383 18 229.159058 18 236.047424 20 247.069397 17 249.062958 20 266.762665 20 269.055634 20 281.091492 23 288.169556 33 305.085327 86 323.097626 1958 324.102386 306 325.104828 60 336.034027 32 337.173981 22 339.690796 20 340.744568 19 341.014801 20 341.107849 11934 342.111816 1775.234375 342.529266 19 343.046631 18 343.115234 400 344.119568 102 345.244324 17 345.679443 18 350.273804 25 369.105255 606 370.099365 18 371.087067 44 397.102814 44 415.118439 91 416.11969 18 429.268524 25 443.104889 446 444.112457 195 445.102203 41 445.129822 25.252117 531.133423 34 556.332886 24 567.091003 18 676.156799 18 997.526917 20 1010.543335 35 END IONS BEGIN IONS FEATURE_ID=227 FEATURELIST_FEATURE_ID=Aligned feature list peak:227 MSLEVEL=2 RTINSECONDS=310.13 PEPMASS=369.10293 CHARGE=-1 FEATURE_MS1_HEIGHT=2.515E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8:1475"] SCANS=227 Num peaks=247 51.034859 19 51.278343 19 52.472885 21 52.943218 28 53.232437 18 53.881058 18 54.545872 17 54.984913 22 55.017189 19 57.409992 26 58.082977 22 59.012531 109 60.302818 28 61.013943 28 62.626945 21 62.765022 18 63.522385 17 63.57703 31 63.756092 22 66.227249 22 66.851273 18 67.248535 17 67.499878 19 70.002739 22 70.482124 22 71.012596 123 71.321167 17 71.896896 18 72.92514 18 73.030022 22 74.120468 18 74.235001 18 76.936523 20 78.8675 25 79.242043 20 79.687233 17 80.331406 24 83.003761 24 83.018402 18 84.002197 19 84.772278 20 84.86393 18 85.015396 20 85.030426 31 85.092659 21 85.574905 25 86.296982 18 86.611938 18 87.006874 60 89.024704 426 90.025047 39 90.098495 19 90.608116 28 95.013557 20 95.74781 23 96.643608 18 97.027374 18 99.046417 18 101.023544 327 101.883347 18 102.171326 18 102.272469 29 102.746933 23 103.031227 23 104.426987 20 104.538902 31 108.275787 24 109.163574 26 111.371346 22 111.738632 22 113.024452 95 113.530472 18 114.575531 20 115.179314 18 115.668282 18 116.203476 37 116.996811 20 119.01902 16.390915 119.034691 235.609085 124.454414 19 124.835648 29 126.285255 23 127.724228 23 127.917236 20 128.100281 18 128.961258 42 129.045441 18 129.387756 25 131.035553 18 136.417877 20 136.906097 54 138.350586 24 140.292923 21 140.967209 20 142.164536 18 142.396179 18 143.035049 61 143.547302 21 146.651886 26 148.101425 18 148.131241 36 148.671829 21 150.450989 20 150.973389 21 152.493561 19 160.669098 21 161.046066 92 161.467117 20 162.053528 18 163.057938 18 163.90715 40 164.112457 18 167.05632 18 170.302734 20 172.127411 18 172.541428 17 173.090103 20 174.976089 18 179.054581 315 184.063934 18 189.042999 29 191.190918 20 191.923843 17 192.027176 23 192.56073 18 220.307922 18 221.07309 18 224.559784 24 228.01506 18 229.898163 17 232.299179 22 235.784836 19 236.157333 21 239.036758 33 244.833252 21 249.638657 20 250.550186 21 251.103271 17 252.178146 20 256.081482 17 256.113342 25 257.429657 17 257.91275 20 262.321869 19 262.917603 18 271.384949 23 283.321014 25 283.866425 19 286.529999 17 287.905914 22 296.166351 18 298.246948 20 313.874634 39 314.457458 18 316.378876 19 323.097809 259 324.109558 32 325.10553 20 325.185699 20 329.528381 18 332.850708 18 334.211731 18 338.581451 35 339.696106 25 341.107666 666 341.179108 18 341.491943 18 342.106049 37 343.106934 35 343.211731 19 353.151764 25 353.191345 24 364.898132 17 366.438507 26 369.106567 69 375.839508 33 380.845245 18 381.28186 18 387.119507 18 388.893646 23 406.088379 25 413.018127 23 415.106079 189 416.119934 60 418.256989 20 427.273102 18 427.385895 30 430.347778 18 432.099915 26 440.844879 42 443.062683 23 443.110046 80 444.111053 41 453.752167 24 455.931671 32 457.109375 25 460.082794 19 471.079315 20 472.09964 18 479.57428 18 484.161499 40 487.455261 20 499.070801 17 502.056061 19 525.712769 18 532.247864 20 581.774658 29 583.03656 22 585.032288 17 588.141479 18 604.995483 19 610.46698 18 640.2901 23 683.237183 44 711.22168 18 751.944214 18 785.21698 36 786.209167 22 795.166016 21 809.038574 18 824.179016 18 834.926208 20 883.290222 51 887.999695 18 907.130676 20 931.804626 19 935.077515 28 937.12738 18 954.138855 18 961.184753 26 989.200562 47 992.080627 17 993.972717 25 1002.108032 32 1005.109253 24 1027.224731 26 1038.116699 18 1084.947144 20 1102.550537 22 1104.982666 18 1109.366455 21 1138.109009 17 1144.664795 18 1147.005859 17 1159.663208 18 1178.035156 18 1190.501831 22 END IONS BEGIN IONS FEATURE_ID=228 FEATURELIST_FEATURE_ID=Aligned feature list peak:228 MSLEVEL=2 RTINSECONDS=310.19 PEPMASS=341.10793 CHARGE=-1 FEATURE_MS1_HEIGHT=6.657E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8:1545"] SCANS=228 Num peaks=187 51.018463 20 52.373383 20 52.523071 23 53.14336 23 55.020302 51 56.095287 18 56.443867 18 56.998661 29 58.537289 22 59.013306 930 59.479504 25 59.77063 18 60.017132 22 63.067265 20 66.839813 18 67.833603 18 68.124908 20 68.711441 17 71.013336 887 71.830498 17 72.017029 20 74.071877 18 76.382027 29 80.413109 51 82.027924 20 82.143219 18 83.011932 44 83.238449 20 83.517609 18 83.590706 19 84.926254 18 85.029526 70 85.275238 17 87.009094 61 87.351173 23 87.826698 21 88.650993 18 88.977005 20 89.024086 1510.637573 90.661827 18 91.030914 18 94.36908 20 94.580353 24 95.015251 37 96.135078 20 96.568245 18 96.696404 18 97.028 40 97.946861 31 98.999611 39 99.549828 22 101.023491 1087.757812 101.285004 34 101.473251 19 103.027878 18 106.624657 30 109.203156 27 111.007805 22 111.185997 31 112.146935 26 113.025024 804.436584 113.268051 18 113.903984 17 114.026474 20 114.892357 20 115.913475 20 115.984192 35 118.965385 18 119.033798 987 119.379189 37 120.038155 112 120.064377 32 121.042168 17 121.081848 18 121.685966 19 123.701836 20 124.604149 17 126.718216 21 128.528976 43 130.737015 22 131.038559 214 132.034927 18 133.9776 19 141.003067 21 141.936554 31 143.034927 125 144.888565 29 145.031784 25 149.046783 122 150.742661 17 152.32785 19 154.393051 18 158.227585 27 161.043884 264 162.980804 25 163.064636 18 165.079285 18 166.455811 18 170.302277 29 174.182129 35 179.057358 1016 179.67453 25 179.975052 22 180.05896 117.146469 180.423615 18 180.723572 17 181.057327 26 209.985535 49 210.104874 20 213.06929 22 216.993195 20 225.967743 20 228.197174 19 229.122192 20 230.818893 22 232.510468 25 233.958115 18 234.188873 28 235.386993 18 236.245193 17 239.077179 21 240.356155 18 254.6689 24 259.471161 18 263.520477 23 264.183838 21 266.368378 17 266.654419 19 268.729462 21 275.015778 24 277.363922 33 281.079651 17 281.800201 17 293.864227 17 296.767059 26 297.124023 18 297.301117 23 308.629791 18 313.344971 18 317.439056 27 321.588806 18 329.926727 18 334.676697 63 340.20636 22 341.107819 1683.270508 341.157654 36 342.114655 189 343.108612 34 344.293213 18 351.328094 28 356.556946 18 357.218781 17 366.556091 18 375.681671 31 387.101898 17 394.813629 20 398.586823 20 415.09671 75.91156 419.15802 17 432.091614 19 434.004364 27 441.802917 24 443.100403 18 456.120667 21 465.009216 18 475.130005 20 484.123657 26 519.164124 18 527.075928 18 528.090759 18 536.392334 23 566.67804 20 571.213562 24 584.526001 20 637.651489 20 709.500183 28 863.277832 18 864.788879 18 1100.035645 20 1101.054443 18 1105.053223 20 1134.421509 20 1135.25647 19 1154.135986 34 1186.127563 20 1189.696045 23 1191.140869 26 END IONS BEGIN IONS FEATURE_ID=229 FEATURELIST_FEATURE_ID=Aligned feature list peak:229 MSLEVEL=2 RTINSECONDS=310.19 PEPMASS=415.1088 CHARGE=-1 FEATURE_MS1_HEIGHT=3.541E6 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8:1550"] SCANS=229 Num peaks=731 50.313362 18 51.276134 22 52.017796 63 52.774467 17 55.018272 438 56.019421 19 56.997932 57 57.022663 17 57.032597 18 58.00425 23 59.013275 11300.006836 59.106487 19 59.18412 18 59.232887 18 59.330475 18 59.447136 18 59.553097 18 59.582912 18 59.608593 17 59.667194 18 59.697113 18 59.78957 18 60.017212 338.821198 60.13768 19 60.181389 19 61.018227 59 61.764091 17 63.09927 17 63.624905 20 66.296227 27 68.997932 52 69.035553 19 69.926849 18 70.420891 18 70.582848 19 70.619316 25 70.733704 17 70.915855 18 70.972153 24 71.013222 13974.029297 71.079048 20 71.254219 18 71.301781 18 71.350075 18 71.50985 25 71.66256 18 71.796097 18 71.880592 19 71.891563 18 72.015671 460 72.045479 21 72.104744 19 72.280815 18 72.989738 22 73.028732 1047.460571 73.151375 18 73.209488 22 73.603828 30 73.696739 18 74.029594 46 74.433022 22 74.878387 43 74.8936 17 75.009865 87 75.976448 35 76.13118 18 76.720482 18 77.230095 21 77.642319 32 79.016403 43 79.964165 25 81.033348 169 82.694603 26 83.013855 1041.981567 83.455627 22 84.018715 81 84.821129 20 84.988823 31 85.029251 1298 85.492577 18 85.769485 18 86.030014 163.409164 86.091766 18 86.254456 18 86.679169 23 86.869438 17 87.008293 7774.895508 87.045181 276 87.279091 18 87.516685 29 87.707947 17 87.741119 17 87.755547 51.885365 87.983482 18 88.01313 105 88.047058 46 88.883156 18 89.023735 34592.957031 89.065643 54 89.078224 24 89.104691 17 89.225365 18 89.266083 18 89.317619 36 89.381012 24 89.402573 44 89.466522 18 89.4758 20 89.550797 17 89.559891 21 89.581566 18 89.594856 18 89.749031 18 89.795792 18 89.847908 19 90.026863 1625.293335 90.209831 18 90.265076 20 90.285553 19 90.505974 29 90.557121 18 90.660309 19 90.680168 17 90.72731 20 90.960884 20 91.026703 279 91.186966 17 91.35218 17 91.592361 22 91.943901 20 92.217155 18 94.151001 24 95.012436 301 95.516846 19 96.014687 44 96.427322 25 97.028442 218 98.030144 24 98.221252 22 98.61937 20 99.008392 313 99.047913 182 99.200577 18 99.549835 17 99.57151 19 99.582443 18 100.045906 17 100.333305 31 100.594002 20 100.975677 18 101.023849 31206.361328 101.046005 20 101.069397 62 101.107506 18 101.214546 17 101.27507 17 101.363289 17 101.386421 18 101.94014 20 102.027832 1715 102.49192 24 102.634445 18 103.030792 219 103.09021 22 103.268951 19 104.377373 19 105.272202 20 105.411667 17 106.222832 26 106.362701 18 106.624184 20 107.033081 409 107.153648 45 107.84481 18 108.401398 22 108.441292 18 109.588165 18 110.127815 18 111.00798 113 111.042221 20 111.092209 23 111.323303 18 111.629089 20 112.009689 18 112.385529 20 112.512321 18 112.977524 20 113.024055 15389.84375 113.459061 18 113.483589 23 113.645683 19 114.027725 1188.307617 114.078842 28 114.212067 31 114.381424 24 114.65094 20 114.74514 20 115.037338 479.131287 115.237823 21 115.613495 21 116.037575 18 116.251785 28 116.458038 24 116.787621 21 117.017952 120.999992 117.047577 28 117.304756 18 118.025711 21 118.305023 18 118.32312 22 118.579704 25 118.896393 18 118.937157 19 118.999496 67.79068 119.034241 28400.603516 119.084015 58.913242 119.094292 63.739231 119.153763 18 119.314095 18 119.328842 20 119.413124 26 119.432716 17 119.486473 26 119.656487 19 120.038628 1618.088135 120.232056 18 120.263031 18 120.616493 17 120.85051 20 120.998085 20 121.039223 159.199997 121.047577 55.656933 121.409187 18 121.672935 22 122.105576 17 122.1642 17 122.20488 20 122.324936 18 122.551491 18 122.658516 17 122.940918 18 123.54744 18 124.390228 18 125.023933 1150 125.642914 18 125.686066 21 125.806854 26 126.027176 62 127.036469 39 127.264908 20 127.539154 18 127.660339 23 128.040619 18 128.499222 24 128.716644 21 129.016663 286 130.02005 18 131.010132 18 131.034927 4585 131.093994 20 131.118042 34 131.337875 27 131.695358 20 132.038177 253 132.591782 55 133.039169 101.033669 133.650208 36 133.743378 24 134.585098 21 135.031128 27 136.405212 17 137.022171 21 138.141464 32 139.002075 18 139.037964 20 139.595261 46 139.629913 18 139.741119 20 140.967194 20 141.013794 67 141.252411 18 141.75119 24 143.034531 9738.458984 143.541901 18 143.630447 20 144.038818 503 144.410202 18 144.667542 17 144.722351 30 144.976654 22 145.040604 211.306 145.265091 17 145.956146 18 146.040359 20 146.442993 19 146.466187 18 147.201324 19 147.978638 31 149.045563 4226 149.083618 19 149.252563 20 149.34967 17 149.931931 19 149.956894 17 150.048477 223 150.283401 20 150.483597 21 150.640259 37 151.049194 56 151.798965 40 152.204865 20 152.474472 22 153.902237 38 153.988724 43 155.032547 18 157.764725 19 158.329681 18 158.564575 18 159.028549 115 159.539993 22 160.191269 18 161.014877 20 161.04509 12986 161.144592 20 161.664154 22 161.726486 20 161.748627 20 161.797028 25 161.819092 55 161.835968 27 161.903641 23 162.048874 1058 162.279846 17 162.315109 29 162.458313 18 162.526398 17 163.003845 21 163.04924 185 163.480515 18 163.537888 21 163.586014 22 164.698685 18 165.169373 20 165.568024 18 166.193832 18 167.035583 18 167.197815 23 167.39444 25 167.431732 27 167.822479 24 167.911301 20 168.219299 18 168.570526 20 169.039566 23 170.597534 20 170.880768 39 171.081329 20 171.243118 18 171.461166 21 173.05249 20 173.087173 20 173.267868 44 173.579559 18 175.226852 18 176.447464 17 176.464035 18 176.552444 24 177.78949 20 177.863968 18 178.191132 20 178.72731 31 178.883911 18 178.969055 41 179.023361 19 179.055389 45299.90625 179.091904 49.317997 179.115005 439.433838 179.244171 24 179.284103 26 179.815979 40 179.898087 18 179.950806 18 180.059677 4116.751465 180.184723 19 180.213882 19 180.446182 18 180.464737 18 180.522522 22 180.855301 18 180.936783 49 181.029266 20 181.060303 800 181.177017 18 181.215286 18 181.282471 31 182.058578 41 182.719604 20 183.827713 17 184.058777 18 185.607468 17 185.630753 21 185.708191 33 186.655533 29 187.043137 18 189.034134 21 191.055969 87 191.500443 23 194.599854 19 197.053955 40 197.886963 18 199.388824 27 201.047562 17 203.210144 25 204.637222 61 205.035858 28 205.530014 17 205.681381 27 207.056793 35 208.13855 23 209.142029 20 209.406433 22 210.258408 18 213.167984 20 216.396759 35 216.787308 18 217.48378 17 217.544235 18 219.024597 44 219.050598 37 221.064438 94 221.259857 33 221.854752 18 224.337997 25 226.356094 20 227.407333 20 229.552612 24 229.812866 22 230.432434 63 231.758972 19 233.058151 17 237.328079 23 237.986725 18 239.076172 177 240.07016 22 242.619095 22 243.232864 36 243.377869 24 243.735809 26 244.833481 40 245.075912 17 245.986008 17 248.33786 27 249.063446 221 250.061371 17 250.82132 28 251.086899 64 252.083633 20 252.649811 19 252.912491 18 255.207092 18 255.660858 25 263.077667 43 264.07785 49 265.074188 20 266.561188 18 266.865662 20 267.035156 17 267.602875 22 270.3013 17 274.035858 26 277.275238 18 278.547546 23 278.859039 18 280.224609 19 281.085175 419 281.569611 20 282.084778 83 282.430267 20 282.59082 51 283.090027 22 287.91745 18 291.517426 40 306.249084 17 307.349762 22 310.378265 38 311.523346 18 315.738281 18 318.334198 20 319.208038 18 322.046753 23 322.121185 22 322.649872 20 322.747437 23 323.024628 71 323.097626 28028.716797 323.144836 30.433378 323.18158 52 323.262634 18 323.333618 18 323.419067 17 323.667084 19 323.77829 18 324.101257 4803.376465 325.102844 928 325.194244 17 325.460907 36 325.556183 23 326.103973 66 326.296753 18 326.753265 18 326.842682 18 334.60788 18 335.466675 18 335.964233 22 336.050659 42 336.113403 18 336.144318 22 336.183899 54 336.864075 17 336.905731 18 337.632996 20 337.917603 21 338.015167 19 338.821106 24 339.089203 19 339.224762 18 339.734314 38 339.963898 22 340.09549 20 340.619659 20 340.690613 18 340.72171 23 340.752106 38.394703 340.817017 17 340.846527 18 340.880463 18 340.93924 119.781021 340.975189 82.600517 341.020477 18 341.050018 36 341.108215 185518.953125 341.192993 10903 341.268158 56.638596 341.315247 2694.879395 341.374176 731.198853 341.409637 1333.080444 341.470551 128 341.558472 66 341.816437 35 341.882172 18 341.986816 35 342.027252 71.697433 342.064606 126.302567 342.112152 29531.585938 342.196472 1836.164917 342.285858 115 342.321075 378.610382 342.354889 122.989349 342.407806 38 342.43634 50 342.46994 27 342.71283 17.935377 342.738312 57.413631 342.792816 18 342.878845 35 342.987946 18 343.010773 17 343.052917 39 343.11319 8426.359375 343.202728 306.899506 343.234558 54 343.277618 35 343.308807 40 343.404419 25 343.477264 18 343.656616 19 343.803436 18 343.855713 18 343.95636 22 343.980042 20 344.002502 17 344.050262 86 344.117493 852 344.178711 26 344.240631 47.001438 344.273865 18 344.368286 18 344.40094 20 344.446716 23 344.75412 30 344.851898 20 345.086487 37.331192 345.119965 23 345.170959 18 345.248932 18 345.860748 18 345.987457 20 346.186829 17 346.245758 21 346.812653 18 346.94397 20 347.006073 17 347.237091 33 347.304352 38 347.470459 24 347.673401 18 347.768799 39 348.042603 60 348.61792 28 349.005829 22 349.233582 24 349.446594 22 349.658081 30 349.70993 18 349.88446 17 349.970032 22 350.049072 17 350.292633 22 350.522217 27 351.022705 45 355.322998 18 355.903717 23 359.065704 18 367.863922 23 368.866577 20 369.032562 37 369.103271 5192.933105 369.552887 17 370.108185 646.189514 371.105347 130 371.291168 22 372.105591 20 374.831635 18 376.378723 22 384.872833 18 385.330688 17 387.122864 29 390.007812 21 398.44281 18 400.902557 25 401.322845 22 401.491577 20 409.714478 20 414.99115 22 415.023682 36 415.108215 14639 415.200439 349 415.334808 23 415.40036 22 415.438751 23 415.755737 21 415.851288 20 416.009491 23 416.112 2809 416.175415 18 416.206146 29.730492 416.337372 21 416.387756 17 416.451538 20 417.110657 613.22522 417.350494 17 417.433411 20 417.552155 20 418.113068 99 418.253815 18 418.375702 38 418.425446 22 419.4245 17 419.777832 17 420.027313 41 420.16391 18 420.394958 18 425.663483 20 443.098816 20 444.090393 18 448.499847 23 458.578735 20 461.11145 17 472.037781 21 476.135742 22 479.650818 21 488.070496 18 503.721619 20 521.475342 18 552.721741 20 562.249817 28 562.870483 18 564.903503 18 576.319641 21 576.564697 27 579.018738 22 611.034668 22 630.334412 33 640.388733 35 650.82196 18 671.956848 24 675.776855 17 686.356995 18 688.735352 22 717.836853 18 744.962952 47 750.964478 21 752.956848 18 759.51593 21 759.918823 31 761.443115 20.000002 766.152832 20 767.238525 19 772.544678 20 777.195862 23 803.166138 29 841.155334 21 842.387634 18 842.822388 21 843.043152 22 843.348145 38 843.687439 22 844.485901 32 844.941772 19 844.991699 38.576454 845.516296 26 853.867432 26 869.336731 25 890.592957 22 897.124817 17 903.493347 32 918.103455 19 942.537476 25 1013.597717 24 1107.170654 20 1167.506592 18 END IONS BEGIN IONS FEATURE_ID=230 FEATURELIST_FEATURE_ID=Aligned feature list peak:230 MSLEVEL=2 RTINSECONDS=310.29 PEPMASS=459.1342 FEATURE_MS1_HEIGHT=7.287E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8:1471"] SCANS=230 Num peaks=71 57.660522 18 58.135292 22 61.987427 306 66.527054 20 71.012489 41 72.989754 22 76.778374 18 80.278503 18 81.09127 18 81.19297 19 87.008667 502 87.376259 37 88.011581 197 88.064369 21 88.985893 41 89.023926 3500.999268 90.027 105 91.024223 20 99.470612 32 101.027084 32 105.052361 24 112.3153 18 115.952072 21 117.017387 21 119.035355 55 119.761734 18 122.431854 18 128.290649 18 129.380859 19 143.029007 17 147.482742 18 153.596588 24 156.383209 17 161.040451 19 166.50795 18 170.505493 20 179.054565 67 185.325027 23 194.613586 18 202.961609 18 213.703384 21 221.059875 29 229.963348 24 234.42186 20 234.439026 20 250.3806 18 255.076233 22 274.305054 19 279.107727 18 303.891083 18 340.516449 33 341.107697 396 350.140808 22 350.910278 20 353.420563 23 357.781036 22 377.086487 18 413.167969 25 417.910522 19 458.132385 39 459.134857 266 460.092102 32.991501 460.142761 145.008499 460.341797 20 461.32608 20 541.607849 19 566.903625 21 567.718567 18 658.262024 18 1001.92041 18 1155.91687 20 END IONS BEGIN IONS FEATURE_ID=231 FEATURELIST_FEATURE_ID=Aligned feature list peak:231 MSLEVEL=2 RTINSECONDS=310.44 PEPMASS=460.094 FEATURE_MS1_HEIGHT=6.569E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8:1483"] SCANS=231 Num peaks=39 59.017658 26 61.988239 948 71.015404 22 85.027611 18 87.008728 217 88.009949 36 88.939285 25 88.986496 20 89.023712 3390.544922 90.02652 208 91.02684 18 92.110123 37 92.97403 21 113.018791 18 119.034241 47 131.032974 20 161.044342 20 179.056 18 224.798019 19 232.211121 18 237.177673 29 266.213196 24 273.277252 18 283.228851 18 323.10437 18 332.959869 31 340.227997 20 341.110199 248 391.533752 25 419.683105 19 421.255829 21 459.135956 162 460.102142 64.354317 460.130188 35.729816 462.10022 18 534.218262 17 613.808716 37 891.391602 20 1058.806641 29 END IONS BEGIN IONS FEATURE_ID=232 FEATURELIST_FEATURE_ID=Aligned feature list peak:232 MSLEVEL=2 RTINSECONDS=310.50 PEPMASS=457.11938 CHARGE=-1 FEATURE_MS1_HEIGHT=1.314E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8:1477"] SCANS=232 Num peaks=56 61.987919 822 71.012169 20 76.45414 18 85.763458 21 86.013405 20 87.008163 6560.97168 87.11718 18 87.375381 36 87.986465 22 88.01226 225 88.985451 17 89.02404 4256.816895 89.052536 18 89.607437 17 89.759697 48 90.028236 137 90.103737 18 90.178429 21 90.777534 22 97.031609 18 98.937103 18 101.023575 41 115.649422 19 143.120804 18 143.557724 20 158.13591 18 160.107452 34 179.049164 18 179.062195 20.243073 180.059769 25 182.113388 20 196.027618 17 211.935928 18 229.32753 19 250.300919 26 267.358154 21 272.7901 24 299.456329 18 323.107849 80 339.710022 20 341.109802 451 342.108673 18 343.123627 18 344.498108 19 369.099762 21 452.754761 18 457.120758 333 457.237823 18 458.134125 34 459.134247 310 459.32663 67 460.089172 38 460.57135 18 475.344757 20 847.291992 68 937.398987 20 END IONS BEGIN IONS FEATURE_ID=233 FEATURELIST_FEATURE_ID=Aligned feature list peak:233 MSLEVEL=2 RTINSECONDS=310.86 PEPMASS=432.09907 CHARGE=-1 FEATURE_MS1_HEIGHT=1.072E6 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8:1425"] SCANS=233 Num peaks=214 50.364166 22 52.344345 18 59.66465 18 61.111832 20 61.12215 38 61.244175 24 61.967293 18 61.98769 14870.623047 62.093395 18 62.227383 35 62.264938 18 62.356911 22 62.375622 20 62.438606 24 62.462254 18 62.496845 23 62.547619 19 62.722652 20 62.98822 99 63.003178 18 63.032005 23 63.330929 20 63.47913 18 63.531517 69 63.904678 17 63.992085 111 64.436272 18 65.971336 18 67.435585 18 68.847237 20 69.7939 20 70.260803 17 70.451378 18 71.84478 18 76.730789 32 78.302658 20 78.600868 17 78.729675 18 78.851006 26 79.278069 22 82.444748 22 82.904305 25 84.169128 18 85.03447 18 86.142502 17 87.009201 26 88.429764 22 88.8834 27 89.023857 37 90.029282 20 92.234306 20 93.652466 40 97.438057 20 100.333092 18 101.025505 22 103.07753 20 105.439186 18 105.976578 18 107.756058 17 107.962784 18 111.685783 26 113.793098 22 114.571205 18 115.008797 18 116.176048 20 117.555862 19 117.811058 23 117.857841 18 120.833252 52 123.299393 23 123.459763 17 124.441666 18 127.052399 21 127.923637 20 128.958862 18 129.070892 20 129.961075 18 130.981552 22 135.828918 20 144.127396 18 148.195038 17 155.706314 25 157.64386 22 158.19841 24 159.705902 20 164.943802 24 165.776611 18 166.053055 20 169.725067 20 170.748962 26 170.877792 18 171.103546 20 174.600433 19 174.971146 22 180.334152 18 181.053497 20 181.140305 32 181.466461 28 183.063629 18 188.001587 18 190.225967 17 191.028458 30 192.092575 18 198.213226 27 202.098129 21 202.789642 20 209.15033 36 210.15097 25 212.079224 18 218.552734 18 223.420822 18 226.131424 20 227.89505 18 233.839066 19 235.47702 18 240.05426 17 245.413574 30 248.073273 41 249.840057 33 251.369949 20 253.043045 23 253.211594 17 258.316833 18 259.549347 18 264.057739 40 265.146729 17 268.320709 22 270.102295 18 271.409302 27 273.27066 20 274.169312 19 277.965698 18 279.982025 18 287.932404 21 289.249603 25 293.182068 18 296.190277 28 311.474548 20 313.877014 67 322.114319 18 322.172058 18 327.013458 23 333.500671 27 335.911407 18 341.110291 213 342.113068 42 352.227112 17 360.674713 17 377.480347 23 383.489777 20 390.384674 18 392.416473 20 393.157654 18 405.082764 20 407.087372 21 413.185699 18 415.105042 120 416.11554 35 417.104858 82 425.060974 18 432.100006 3048.611084 433.100433 338.350586 434.0961 57 435.079651 41 435.114319 20 435.56604 18 435.641052 18 443.101257 82 444.054718 18 453.76416 17 454.112915 20 459.145813 22 460.083466 18 464.824036 26.999998 471.071259 41 471.14566 17 520.514587 18 521.385742 26 552.967834 19 554.097534 20 600.029907 23 607.733765 18 609.996521 20 614.063599 32 615.47821 26.999998 622.641235 19 655.615723 17 667.731445 17 767.20813 18 775.184814 18 775.677307 23 785.220703 17 795.052063 22 802.230225 23 823.17157 18 883.314209 17 963.232117 18 1016.849609 18 1038.014038 17 1039.10498 18 1044.988159 25.000002 1049.394165 38 1051.501953 24 1065.27417 34 1110.181641 23 1120.635498 17 1121.06897 18 1130.165894 26 1137.172119 22 1139.573486 19 1140.071289 17 1150.154907 25 1167.779175 25 1194.734131 27 END IONS BEGIN IONS FEATURE_ID=234 FEATURELIST_FEATURE_ID=Aligned feature list peak:234 MSLEVEL=2 RTINSECONDS=312.84 PEPMASS=166.0172 FEATURE_MS1_HEIGHT=1.546E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8:1866"] SCANS=234 Num peaks=62 52.940052 19 63.145035 51 69.71772 18 70.332794 18 72.045601 36 75.914787 25 79.956627 1980.904907 80.229469 21 80.962296 393 81.951683 43 81.965263 41.782406 82.844742 22 82.956505 25.15811 82.964668 39.52412 84.007126 18 84.045898 36 90.863617 18 94.977249 27 95.049454 17 99.680779 20 100.040909 245 101.414871 34 102.055115 256 105.4701 18 106.980782 736 108.022354 17 108.972267 19 110.621834 19 110.854057 31 118.725014 24 123.144279 20 124.005661 282 125.998924 20 127.620224 21 128.095352 27 130.020538 18 133.65004 28 147.032288 26 149.024521 18 151.420029 18 152.967697 17 164.091583 20 165.044342 39 165.142487 23 166.018295 4248 166.054794 374 167.024094 245 167.054764 57 168.013397 174 168.052155 20 171.981293 21 181.074539 18 185.342728 18 189.918991 20 201.03157 28 201.708725 20 227.08226 17 235.363892 19 245.939926 19 377.013245 21 423.912231 21 567.845947 20 END IONS BEGIN IONS FEATURE_ID=235 FEATURELIST_FEATURE_ID=Aligned feature list peak:235 MSLEVEL=2 RTINSECONDS=318.06 PEPMASS=432.09898 CHARGE=-1 FEATURE_MS1_HEIGHT=2.304E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8:1673"] SCANS=235 Num peaks=175 51.720558 17 54.766155 18 55.488762 36 56.016346 21 59.225986 20 59.30801 20 60.091984 24 61.405525 18 61.987499 3574.085449 62.178215 20 62.435204 17 62.899315 22 63.651154 31 63.993492 75 64.863289 24 68.656235 18 69.344826 18 69.489365 21 69.523399 22 70.086349 17 72.079437 18 72.991936 19 73.17852 19 73.381027 18 74.026779 18 78.588593 18 78.957924 18 79.77179 33 81.521194 28 82.909447 21 83.495453 18 88.068375 20 90.371666 17 90.845085 18 93.805023 20 99.270203 18 104.920067 26 106.2024 18 114.010338 24 117.032578 29 119.515076 22 124.212784 18 124.252937 18 127.621223 18 128.029022 18 129.974442 18 130.742844 20 136.408035 24 141.274185 17 142.375565 18 142.45842 18 146.823196 20 146.96492 56 149.792206 21 154.630676 24 156.483841 22 162.6828 26 162.912018 25 162.934479 58 165.052948 17 166.048874 19 168.841217 18 169.002151 25 170.924835 22 182.568283 45 188.437027 21 190.880615 21 192.68924 17 193.165878 20 195.583252 28 204.205368 18 207.922836 36 208.766251 20 210.00946 21 214.003235 26 217.991455 23 220.857574 20 222.752228 17 223.873184 22 225.117981 17 225.922302 19 227.182663 17 227.340485 19 227.924805 18 229.78476 17 233.171768 22 234.279953 21 235.041077 20 238.97348 18 238.991013 35 241.83902 18 243.023834 28 243.088928 20 244.773926 18 248.015518 17 248.919922 17 251.793488 47 257.122864 27 263.061951 22 265.151367 18 265.313843 18 265.718079 22 271.900909 19 277.642975 27 278.595398 22 283.07843 18 285.046387 17 288.073639 17 292.096954 17 292.815155 23 294.655457 21 301.019501 18 313.616119 17 319.736755 17 325.693359 19 325.941956 17 328.03952 20 329.565186 18 340.748901 28 347.769836 20 356.789398 18 364.116272 33 372.044342 22 374.022156 18 379.031433 55 385.029572 21 397.832672 19 400.002075 18 403.208405 17 403.328552 29 408.444458 18 426.102203 24 432.039948 20 432.101257 915.538208 433.102753 160 433.863068 17 434.098206 58 435.106842 18 443.504181 42 443.668884 47 450.203918 19 452.931671 18 453.778961 18 470.792206 18 486.825592 18 487.130829 20 512.23761 20 518.954956 17 522.55365 25 524.326294 32 532.381042 33 592.352478 18 643.66626 17 651.749634 19 663.019165 18 709.738831 25 714.517822 24 770.413879 18 809.512512 18 811.428162 20 904.923645 20 950.54126 29 984.906006 31 987.82074 18 989.671204 21 1010.154663 40 1034.453613 18 1042.83374 18 1067.605957 20 1077.565796 27 1098.939697 26.000002 1136.991089 20 1141.284668 23 1173.411377 37 1178.425659 17 END IONS BEGIN IONS FEATURE_ID=236 FEATURELIST_FEATURE_ID=Aligned feature list peak:236 MSLEVEL=2 RTINSECONDS=318.93 PEPMASS=415.10868 FEATURE_MS1_HEIGHT=1.003E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8:1535"] SCANS=236 Num peaks=223 53.588306 21 55.018669 20 55.817753 18 57.033695 30 58.724167 18 59.013477 429 59.452126 24 61.971394 18 61.98859 21 62.87994 20 65.938477 19 69.098274 20 70.861031 20 71.014534 417 71.532425 17 74.137108 47 82.453949 18 82.646332 28 84.006157 17 84.442268 27 85.028641 17 85.299393 18 86.774513 33 87.006706 81 88.015907 19 88.451637 18 88.981834 19 89.023605 1672.188599 89.188148 21 89.326279 20 89.850197 18 90.028236 138 90.338516 20 90.664818 18 91.026596 25 98.688087 18 98.758125 18 99.549255 18 100.040466 25 100.348 18 100.889336 23 100.961823 20 101.0242 1316.560181 102.028786 61 102.991081 18 103.193687 30 109.046364 30 110.104622 19 110.879417 20 112.367126 24 112.983772 18 113.024666 623 114.031174 18 114.50061 18 117.888718 20 118.270828 22 119.035027 1728.934692 120.040428 56 120.759102 18 121.028786 25 123.07682 27 125.02533 65 128.072311 20 128.658112 18 130.966202 20 131.033829 164 132.039322 18 135.031555 20 140.040268 18 140.503494 24 141.015961 17 143.035217 227 144.037613 46 145.032761 19 146.927383 18 148.941971 41 149.04335 219 150.048233 44 150.12912 21 157.99028 40 159.025848 20 159.938797 17 161.047134 526 162.047867 26 162.933136 20 164.040298 22 166.052734 59 167.050827 21 171.395584 18 172.943787 22 173.055435 17 175.909592 21 179.055695 2424.079102 179.885132 22 180.061127 189.939636 181.060623 40 183.135376 23 183.818542 17 185.974091 23 187.092484 19 189.0336 28 189.443573 21 189.523117 17 194.532761 18 197.027756 20 197.095337 19 198.982071 17 203.989258 20 205.059372 18 205.99028 17 209.923599 18 210.733994 18 211.035812 18 211.535706 53 215.033234 24 215.629913 18 218.139664 26 221.070618 23 221.924591 20 222.069839 30 223.261948 22 224.040253 20 226.882767 19 226.991104 18 227.386932 24 230.863327 18 232.166122 20 234.703598 29 235.934845 18 236.003067 43 236.057907 50 236.96756 18 238.078613 17 238.67366 20 239.157913 18 240.114685 23 240.876007 20 244.009598 47 244.895538 23 245.8591 19 246.861954 18 248.998611 18 251.927353 18 256.809021 31 258.595428 17 258.972076 18 263.06073 22 267.053528 20 269.515167 20 270.286621 18 274.900146 32 278.944794 18 281.058868 23 282.112518 20 283.92041 30 283.970795 22 285.143951 17 291.112518 18 292.91272 21 299.008972 31 308.441071 21 313.777588 25 313.918335 24 316.941376 20 320.938904 26 322.803131 20 323.098572 89 323.321716 18 324.116577 36 328.118958 18 328.807465 25 331.079468 22 332.697449 70 333.021271 25 333.104858 32 336.158142 18 337.975586 18 340.089508 19 340.772186 24 341.109283 8948.986328 342.112396 1417 342.240906 28 342.500702 20 343.113556 380 344.117706 41 347.151581 17 347.345306 18 350.417267 21 350.798431 18 358.08847 28 361.39624 22 368.0466 19 370.102631 17 370.99707 21 371.034515 18 372.251526 23 397.783661 20 415.110199 612 415.197266 27 416.011597 18 416.110626 184 416.283813 23 417.106659 53 417.295746 19 417.873718 20 433.997192 18 440.777832 18 450.706055 20 463.065857 17 476.327789 26 476.804199 18 512.464172 20 516.672668 18 544.213318 32 567.170471 23 626.167786 22 646.555786 18 750.825195 20 754.949524 19 766.896851 22 783.978149 17 920.317444 20 1000.540649 22 END IONS BEGIN IONS FEATURE_ID=237 FEATURELIST_FEATURE_ID=Aligned feature list peak:237 MSLEVEL=2 RTINSECONDS=319.17 PEPMASS=405.07983 FEATURE_MS1_HEIGHT=5.206E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8:1623"] SCANS=237 Num peaks=113 52.721935 20 59.012989 34 61.989079 19 62.03014 37 71.015572 41 80.914505 22 81.019073 22 85.509644 20 88.684975 20 99.09346 27 99.924919 18 100.931534 17 101.021721 20 103.031181 20 109.040596 22 110.104675 29 111.534416 19 116.928688 22 119.036316 17 126.066528 22 129.93779 17 133.086853 20 136.061966 18 142.335587 25 143.033569 38 144.965805 22 148.862076 18 150.914536 43 151.021179 20 154.955673 30 159.023132 19 159.252808 19 161.045792 39 170.97348 18 179.058517 22 180.128113 23 183.891159 20 184.390656 23 187.974136 41 192.312149 18 193.972748 17 194.898544 18 196.909607 23 201.861465 24 202.072342 17 203.928024 23 209.957077 18 210.947784 22 214.021942 18 214.312775 17 214.988342 26 215.03241 18 216.788467 22 225.08812 24 225.126541 20 227.116501 23 227.880051 19 228.065323 18 231.564041 20 233.908081 17 235.13472 18 236.882645 25 236.992493 22 240.909225 21 242.051788 20 249.043549 17 250.835739 17 254.826981 17 258.229218 18 258.509735 17 259.756409 37 260.88855 23 262.9758 20 264.83075 29 273.968811 20 274.998047 17 279.00589 17 286.637421 30 287.032501 20 292.911469 21 293.904663 29 308.987122 18 309.095764 21 310.079193 18 310.918152 33 312.339874 21 312.91391 17 325.188202 39 334.868591 18 341.108368 235 343.139465 45 365.115356 20 386.160522 17 404.22879 20 405.08136 673.754272 406.078613 37 406.898834 18 407.085144 218 408.051025 38 408.082581 20 408.145966 20 408.973389 21 409.08905 18 409.21521 18 410.003479 24 507.283783 21 596.963684 19 606.647095 18 633.391357 20 709.312073 44 741.506042 18 807.070435 27 988.437744 30.000002 END IONS BEGIN IONS FEATURE_ID=238 FEATURELIST_FEATURE_ID=Aligned feature list peak:238 MSLEVEL=2 RTINSECONDS=319.90 PEPMASS=451.02811 CHARGE=-1 FEATURE_MS1_HEIGHT=5.954E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8:1618"] SCANS=238 Num peaks=146 50.952381 20 51.593925 19 51.836639 18 52.508675 29 53.952198 28 56.190266 18 56.377182 18 57.133396 20 57.200218 18 59.013626 20 59.823532 22 60.427353 19 60.739429 21 62.994667 18 63.370934 17 65.582611 22 65.595627 38 66.873833 30 66.912445 18 68.864128 30 69.158363 17 70.293045 26 70.994415 21 71.009232 17 71.420059 21 75.244522 21 76.524963 18 78.133301 17 78.921204 106 79.738495 18 80.494186 20 80.877449 18 80.916069 667 80.966919 18 82.42144 30 82.71386 23 83.020439 18 83.144432 20 84.008415 186 84.034943 17 85.528259 18 87.038315 24 88.231354 18 89.021126 35 90.243332 18 90.347008 18 90.625 20 91.355118 22 99.890793 36 101.023132 41 101.3283 26 104.116898 20 107.077309 17 107.25042 22 112.173317 20 114.242111 26 115.016899 18 116.211494 33 116.924866 44 117.194328 20 118.871201 20 119.038635 81 125.943832 17 129.015884 20 130.455856 17 136.878021 25 137.618591 18 138.712097 30 154.062912 26 154.275208 20 158.427994 35 158.789703 18 158.862076 24 160.431976 18 160.973206 20 163.016113 28 165.955215 21 167.87439 38 172.913467 20 173.057449 31 179.061096 21 179.858795 23 186.034515 17 186.875916 17 188.734222 18 192.873077 18 199.856384 17 208.071182 18 223.779266 18 233.147125 18 233.671494 17 242.054138 18 251.536942 18 252.841324 17 256.18042 20 261.97406 21 267.009003 20 267.874237 21 268.083221 17 285.883911 18 286.678925 17 286.798401 22 294.54129 38 294.995148 21 307.889923 29 311.65744 25 315.980957 18 323.919464 32 339.908264 33 341.113403 230 342.099854 29 345.381683 18 345.865906 42 347.885406 18 357.45163 17 383.016602 23 390.611298 33 407.09201 27 415.108551 46 424.027191 20 432.517517 17 443.413361 23 448.457703 18 450.262024 18 451.025543 209 451.411652 31 452.013611 18 454.110535 35 501.611877 18 511.18335 26 555.488403 31 575.611389 23 617.635193 22 624.715942 20 793.656006 35 807.970032 17 1021.049561 18 1041.098999 19 1137.947876 24 1150.283813 24 1156.289062 17 1159.961182 74 1167.552124 20 1181.574219 18 1183.329712 22 1185.78125 17 END IONS BEGIN IONS FEATURE_ID=239 FEATURELIST_FEATURE_ID=Aligned feature list peak:239 MSLEVEL=2 RTINSECONDS=323.14 PEPMASS=382.09961 CHARGE=-1 FEATURE_MS1_HEIGHT=2.36E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8:1793"] SCANS=239 Num peaks=212 50.27673 18 50.302788 39 51.773502 18 51.963039 18 54.820164 57 55.403461 22 55.984409 22 56.516308 25 57.436916 20 59.955742 26 60.092346 18 60.711815 20 61.387268 18 62.02206 30 62.758888 21 62.798698 18 64.196671 22 64.722298 24 66.475723 24 67.339523 20 69.540329 19 69.899231 18 70.634636 20 71.013069 462 74.09166 30 77.197929 18 77.351036 27 77.57589 63 78.809258 21 80.443565 27 82.147354 18 83.914162 24 84.40078 19 84.830856 18 86.557404 23 87.775162 18 87.796478 18 89.036537 20 92.460449 20 92.716736 22 94.776489 18 98.691727 20 101.000679 18 101.018463 18 106.024879 21 107.033661 21 107.449287 25 113.022987 36 115.002632 3223 115.348808 18 115.371429 18 116.007553 134 116.055634 21 116.14035 18 116.188545 17 117.012367 20 117.389145 22 117.40435 18 117.923714 18 119.033989 60 119.286636 17 121.124107 25 124.598679 22 125.147514 22 128.333984 29 129.289383 26 129.485077 25 129.56752 45 133.050674 24 134.046402 11818.824219 134.087128 23.553818 134.098663 20 134.751495 18 135.047577 1231.672363 135.273483 20 135.871552 17 136.045715 18 138.836914 21 139.894119 24 140.019699 29 141.68956 17 142.011139 20 145.009552 22 146.043243 38 150.298096 21 151.249374 23 152.034897 18 153.016754 29 153.166962 18 153.513519 18 153.594009 20 154.13884 21 155.217148 20 156.119339 21 159.993729 20 160.059631 41 161.069473 32 162.077972 1483.494019 162.107483 20 163.080414 190 165.971893 18 166.427872 24 167.460281 21 168.027664 20 172.953644 17 176.038864 24 176.059906 17 178.929916 19 179.899307 20 184.243622 17 184.795715 38 185.029495 20 185.05426 36 186.070084 37 187.65361 20 188.054474 256 188.258835 19 189.060562 78 204.862946 33 205.280518 22 206.067078 10835.844727 207.011765 21 207.032547 27 207.070984 754 208.069595 36 208.885162 24 211.94136 18 213.027008 17 213.158295 18 221.465546 18 228.023499 17 232.046921 225 232.893753 18 233.04689 77 241.995865 19 242.249466 18 243.879242 24 247.513153 29 248.128479 17 250.055481 1301 251.060211 182 252.060776 36 254.195343 18 265.961426 17 266.08783 1946.951782 267.088409 132.377472 268.097961 20 271.815918 42 272.275269 18 290.08667 23 290.219238 20 291.954163 30 292.119873 20 303.842896 18 305.94223 33 312.106079 24 317.639862 24 320.057495 18 320.373566 21 322.625122 22 323.09021 23 324.12027 18 329.965637 18 338.105835 35 339.043701 20 339.123291 20 343.517303 18 346.921875 17 347.512268 25 352.190918 20 353.060059 20 356.328705 17 364.088928 46 364.620026 20 374.11264 22 377.362 23 377.589813 17 381.371124 20 381.922791 20 382.098206 6632.011719 382.390076 18 382.527588 18 383.101349 986 384.102386 140 384.820923 23 385.104492 34 415.118439 27 417.987 18 432.102448 36 437.965332 20 444.579681 19 450.945007 22 451.756531 20 469.377197 20 487.024292 55 501.599487 18 507.029694 23 536.157532 18 585.254883 19 625.946106 18 628.072876 19 660.941284 18 785.0979 18 925.123047 22 1012.526428 17 1013.455017 17 1048.136108 20 1049.995972 20 1062.332642 18 1099.06958 22 1129.990479 33 1171.228882 18 END IONS BEGIN IONS FEATURE_ID=240 FEATURELIST_FEATURE_ID=Aligned feature list peak:240 MSLEVEL=2 RTINSECONDS=323.28 PEPMASS=432.09896 CHARGE=-1 FEATURE_MS1_HEIGHT=3.733E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8:1649"] SCANS=240 Num peaks=201 50.710442 17 51.013088 18 51.374638 17 53.95401 21 55.79707 18 56.691338 19 57.882256 19 59.222145 20 59.286152 19 59.313843 20 59.686314 18 60.258759 18 61.902771 17 61.987679 6013.57666 62.211887 18 62.254662 21 62.380096 28 62.398937 19 62.587326 18 62.627533 17 62.714111 17 62.84948 22 62.98621 36 62.993679 30 63.133739 27 63.158535 28 63.314987 17 63.729832 34 63.892612 27 63.994389 67 64.532196 20 65.762749 24 66.17057 33 66.575905 18 67.323441 21 72.517548 18 73.55925 23 74.974564 18 77.473312 18 79.623085 18 80.609283 20 81.009071 30 81.394196 25 82.169113 28 82.598175 27 83.558189 34 83.797859 18 85.485237 18 87.782646 20 88.714874 18 88.912407 19 92.438721 25 94.689682 17 95.54744 26 96.040413 22 98.962257 18 101.679108 20 104.832436 18 105.714828 19 107.27124 19 108.441711 27 111.830078 18 113.954803 40 116.934967 25 117.390594 17 120.439323 23 130.874619 24 134.637466 18 134.867264 24 137.915146 18 140.388931 27 145.285065 25 148.115295 24 150.41011 18 155.013275 25 155.097 21 158.596817 17 160.978668 18 166.261581 20 169.449722 20 171.189087 30 173.74762 20 177.26416 20 178.780548 18 180.605743 17 183.133408 18 184.974533 17 188.36676 18 189.023376 24 189.163895 17 190.79425 20 192.493271 24 198.431793 30 202.879776 22 209.379242 23 210.229507 19 215.965424 17 217.736801 24 217.796417 18 221.908493 17 223.873245 18 225.856598 22 226.926712 18 228.145798 23 230.214981 18 234.091583 34 239.99762 18 241.724396 18 242.019928 18 242.982529 18 243.884583 36 243.991806 34 246.873535 24 247.372253 18 259.757629 18 266.793488 21 268.879486 18 272.869629 20 278.086365 18 291.316986 17 294.109131 18 296.883331 26 299.014038 33 301.847565 20 304.676971 18 307.399139 18 323.469818 25 326.08316 21 326.983795 18 334.920837 32 335.731171 18 337.67868 17 337.718048 20 338.941345 19 339.149963 19 339.868805 31.999998 341.111603 20 344.048553 22 344.192505 26 344.453217 17 352.878601 18 358.081177 18 368.822174 28 370.149902 27 371.983093 18 373.922791 19 373.99585 18 375.773529 22 387.558014 29 405.082123 78 406.088165 82 431.135803 19 432.097229 958.581177 433.108459 82 434.103333 59 434.304352 19 447.743988 18 477.764069 18 505.018616 21 505.580353 23 517.331848 19 537.114868 20 553.074341 18 582.071289 24 615.064819 17 639.800415 24 653.072571 28 668.270203 20 678.989075 20 686.766846 17 735.511597 32 775.186951 38 791.882935 26 883.431763 43 918.397705 19 920.930359 18 929.121094 17 954.996765 26.999998 958.131592 18 963.477539 24 971.62207 24 1011.438477 25 1018.629272 25 1062.843384 33 1075.942261 18 1078.032593 19 1078.2323 20 1082.022583 17 1090.435547 18 1111.120483 22 1128.987549 18 1137.196533 22 1150.000122 18 1157.212646 21 1167.812134 17 1171.097168 55 1180.531006 18 1183.790771 24 1188.728027 17 1192.034424 17 1193.187988 20 END IONS BEGIN IONS FEATURE_ID=241 FEATURELIST_FEATURE_ID=Aligned feature list peak:241 MSLEVEL=2 RTINSECONDS=323.34 PEPMASS=415.10853 CHARGE=-1 FEATURE_MS1_HEIGHT=1.412E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8:1644"] SCANS=241 Num peaks=172 50.163105 20 50.893944 20 53.082939 18 54.081947 19 54.134632 28 54.422558 18 55.50745 25 55.598408 19 56.45853 18 58.584396 18 58.829842 18 59.01363 283 59.697777 18 60.479706 18 60.63921 18 60.821751 17 62.016468 25 66.851967 18 68.437691 19 71.013832 369 73.025848 17 74.032578 20 74.360046 20 75.632614 21 77.509079 17 79.132362 41 80.906693 18 82.071739 24 82.588844 34 83.013344 20 84.872002 21 85.13015 18 85.215103 28 85.241508 24 87.008575 116 89.02346 1188 89.352097 20 90.027664 40 92.283752 26 94.316292 19 96.525276 18 96.865211 20 98.445473 18 101.024132 796 102.021896 20 102.032623 18 102.702217 18 102.857292 28 103.72644 37 106.322029 18 108.841682 22 113.025833 338 114.024399 20 116.928741 19 117.192123 17 117.504471 34 117.651062 21 119.01651 30.818996 119.035088 1050.137939 119.782005 22 120.04306 20 125.027435 44 128.510727 20 128.95459 20 129.0224 30 131.033493 124 142.031143 18 143.006149 18 143.035782 183 143.901886 17 145.706757 21 148.717957 29 149.046936 247 150.044449 56 150.343292 20 151.353165 23 157.006424 29 161.045319 366 163.731674 29 168.128342 20 172.537491 18 173.97757 25 176.061676 18 177.899887 17 177.95015 23 179.056107 1765 180.034973 22 180.059891 168 181.055267 20 182.778732 17 197.948853 25 201.617722 23 204.422974 18 205.666092 17 208.662567 22 212.432327 20 215.114746 20 222.026489 18 224.321365 19 232.205566 19 236.063034 50 237.348846 20 247.388214 24 253.203308 18 257.055389 21 258.983765 35 260.650452 18 272.995483 18 274.89859 24 279.98468 20 281.008942 20 281.09613 19 291.585144 22 310.91333 25 311.760956 18 311.788422 28 317.008575 23 317.277069 18 323.099731 97 323.189575 18 340.684387 20 340.886688 21 341.109406 6059.914062 342.112823 999 343.117859 108.068901 344.113922 44 344.534943 18 345.077179 20 352.503601 17 357.542938 18 361.251617 20 369.10733 23 371.110016 19 372.141235 18 373.129059 23 383.115723 21 387.104584 44 397.961395 17 405.084778 40 408.081757 25 415.110321 1033 416.115265 116 417.119293 107 417.16745 18 417.209656 28 420.893188 18 432.100342 58 443.752899 38 449.979828 18 492.107422 18 502.107635 55 529.845459 18 543.245483 19 586.929565 24 621.996948 18 623.202759 19 745.469849 28 844.080322 18 846.456482 33 898.91571 18 952.534912 36 979.078064 25 985.932739 24 989.91095 25 1053.103638 38 1062.051636 20 1077.11853 22 1078.542725 25 1088.033447 18 1127.205811 31 1193.734985 29 1197.060425 17 END IONS BEGIN IONS FEATURE_ID=242 FEATURELIST_FEATURE_ID=Aligned feature list peak:242 MSLEVEL=2 RTINSECONDS=323.40 PEPMASS=145.01354 FEATURE_MS1_HEIGHT=5.045E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8:1738"] SCANS=242 Num peaks=177 50.344776 21 50.800522 21 55.017262 21 55.908821 17 56.497871 18 57.033466 158 58.380756 43 62.123943 19 62.559521 20 63.752617 20 64.495575 20 65.31897 23 66.198479 20 66.730881 42 68.65831 17 69.099922 19 69.213844 23 70.509842 20 73.027763 101 79.960426 25 80.521065 18 81.226349 22 81.92083 20 83.013916 42 83.660538 27 84.805511 55 85.029099 354 85.11557 17 85.558144 20 86.480469 18 87.050957 18 87.289795 19 88.504791 55 89.01265 29 89.876083 18 93.82428 17 93.842621 20 94.255188 22 95.179733 20 96.296448 44 98.830925 30.999998 99.016258 17 99.259163 22 99.925339 100 100.784607 28 100.932014 475.125397 101.023781 1851.142578 101.932556 50 102.026047 130 103.038147 279 103.615128 21 104.038452 42 104.698471 18 106.145866 17 112.965813 25 116.926476 20 119.343163 17 121.025925 20 122.352043 26 123.258759 21 123.662727 29 124.491051 20 128.432297 23 129.018173 1141 130.022705 76 130.548676 18 131.992584 60 132.534668 19 135.263016 19 137.585434 18 139.137573 22 141.213943 18 144.922836 20 145.011963 544 145.035522 25 146.016464 112 146.387573 34 146.897964 17 146.938721 20 147.031769 180 147.064911 17 151.100952 17 154.230927 20 155.776947 26 162.008469 18 166.855377 20 173.916214 17 176.135742 18 177.842758 34 178.78447 30 184.602417 28 196.599197 24 200.180634 24 203.193817 22 205.089874 22 210.456467 18 212.409256 17 216.038849 18 217.023148 18 218.704224 17 225.639648 21 228.960205 18 232.605728 18 233.117859 26 233.153534 19 234.607666 32 242.120911 18 250.53714 18 255.964813 22 256.378906 18 264.169556 18 285.064148 20.999998 286.001801 26 297.082703 25 311.4375 21 335.266571 31 335.865601 25 337.471039 19 340.804932 22 342.123291 28 347.070251 20 376.774994 18 379.257538 17 396.020538 20 405.893555 19 407.085785 26 407.253845 22 422.779602 18 453.969238 21 469.930939 18 496.111267 18 518.825439 19 551.152283 18 553.089294 26 601.952209 25 710.761475 19 719.734863 17 736.161316 18 769.792419 17 812.918762 32 823.27356 18 859.766235 19 864.830933 29 878.039001 19 899.405273 18 900.793762 35 914.970459 21 932.918335 22 935.815247 23 946.73291 27 968.430542 26 986.943054 18 999.219238 22 1016.243408 18 1021.857483 23 1040.396729 31 1043.95105 22 1056.739746 18 1072.255981 18 1081.77356 21 1094.716187 18 1098.922852 20 1117.794312 27 1127.45813 21 1133.324829 18 1138.184204 30.999998 1143.840454 23 1148.8927 18 1150.073364 37 1155.635864 17 1157.365601 38 1159.910767 18 1164.805176 18 1171.462769 21 1173.337646 20 1173.84668 18 1178.345703 17 END IONS BEGIN IONS FEATURE_ID=243 FEATURELIST_FEATURE_ID=Aligned feature list peak:243 MSLEVEL=2 RTINSECONDS=323.58 PEPMASS=515.12484 FEATURE_MS1_HEIGHT=5.573E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8:1670"] SCANS=243 Num peaks=72 50.836136 23 57.034172 78 59.346989 20 61.988911 17 95.084061 21 96.211906 18 98.160507 22 99.831146 22 100.932236 63 101.023849 1791 102.027016 114 103.033195 64 129.022751 39 136.172623 18 136.863342 26 142.943634 20 143.790878 18 144.925659 93.432388 145.014282 7642.26416 145.352722 18 145.407837 18 146.016876 412 146.077393 21 146.259811 41 146.804764 24 147.029007 612.25293 148.033173 66.733841 149.614288 18 159.9366 20 162.977951 18 164.066193 24 190.896042 18 200.936462 18 212.893097 19 259.931641 28 261.016174 18 266.116638 17 310.157837 21 311.924591 19 312.752045 23 323.357147 17 337.911652 29 342.187805 18 342.845978 18 344.22406 21 348.942657 22 351.004364 18 352.07077 21 359.773132 17 368.757507 26 370.353546 17 373.799835 18 375.536133 20 377.089813 28 377.782104 22 382.10675 18 425.98053 18 435.146118 18 456.13092 23 466.999603 35 468.028168 18 471.038727 17 474.107941 17 516.119446 21 517.168274 20 570.636047 20 572.310852 20 641.990845 23 791.732422 18 803.729675 18 861.846191 20 984.5849 18 END IONS BEGIN IONS FEATURE_ID=244 FEATURELIST_FEATURE_ID=Aligned feature list peak:244 MSLEVEL=2 RTINSECONDS=323.61 PEPMASS=405.07963 CHARGE=-1 FEATURE_MS1_HEIGHT=1.206E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8:1659"] SCANS=244 Num peaks=222 51.008179 18 51.661457 18 52.303787 24 52.522896 18 52.600063 18 53.108467 38 53.785713 20 53.881268 18 57.234005 20 57.316853 25 57.648895 34 59.282867 19 59.922695 18 62.946495 23 63.416328 30 65.90065 21 66.080208 18 66.690727 28 66.925613 22 67.085228 20 71.201683 18 71.918076 18 75.19384 18 75.287445 17 81.087593 18 81.654053 19 85.431877 17 86.91552 17 88.437309 22 89.029076 27 89.991432 27 91.089233 27 93.331451 17 95.741051 17 95.949142 25 98.756721 80 100.569618 20 101.429832 22 103.558907 33 104.088524 20 105.967667 18 107.343742 18 108.041664 22 109.827988 19 111.040581 25 113.214531 25 113.641556 20 116.011497 18 116.072433 18 121.987541 18 122.325447 18 124.529823 17 124.994064 26 125.305412 38 127.908157 19 129.709915 19 129.934372 26 131.052109 17 131.342514 17 132.364838 22 132.42366 22 136.991928 20 138.933258 19 141.933029 18 144.894791 20 145.011276 36 145.030472 20 145.972351 21 146.148651 18 148.580841 20 151.832138 24 155.086868 18 155.391846 30.000002 156.986084 27 157.944138 18 164.064819 21 168.864716 18 168.909775 20 168.954987 46 169.456436 18 171.922577 19 174.498642 21 177.752884 22 179.055481 18 180.451172 18 180.637024 18 180.983536 26 183.117599 21 183.979782 42 185.077896 20 187.944748 23 188.412003 20 189.106522 31 190.984665 22 192.730316 26 197.13385 21 210.960602 25 211.793137 22 213.551529 17 214.058762 18 214.749817 49 218.196243 17 220.961365 23 225.858353 21 225.892548 20 227.057495 17 227.173035 18 227.936569 20 228.779373 37 231.927704 35 234.868286 17 235.818497 26 240.887299 24 245.99147 18 246.979034 20 248.916901 17 261.980591 21 263.97641 18 266.151398 20 268.893738 18 270.670258 18 274.865051 17 274.899841 44 276.999359 20 280.612671 18 283.589874 29 286.901001 27 288.904388 20 292.901917 35 302.016785 30 303.879059 38 303.975006 22 304.528809 23 305.932251 20 308.64209 18 310.055176 18 310.919281 18 316.806915 17 317.107727 20 317.492035 23 330.917816 29 334.852478 17 335.922699 17 336.628387 18 341.108643 38 342.117126 36 346.754486 22 363.082672 22 367.108734 34 369.104248 18 372.789612 31 373.175415 27 384.38089 18 391.916656 18 401.210846 22 404.910706 17 405.078796 1178 405.885498 58 406.072968 40 406.910828 48 407.079346 277 407.244141 27 408.077515 101 415.071136 28 430.174774 20 432.099243 57 435.493042 18 452.024261 18 481.901093 20 487.8078 18 515.115356 18 516.05603 20 522.205566 22 542.984863 18 556.258423 20 566.999451 44 568.04364 25 595.256653 18 597.835693 18 632.879883 18 645.987549 20 701.890564 34 755.956116 20 827.013062 20 858.448181 20 862.410767 23 872.952026 22 882.258667 17 897.475342 17 913.585022 20 924.957642 17 942.061951 20 943.697266 20 952.518799 18 969.395325 17 976.038696 22 980.307495 18 1007.084045 20 1050.078735 18 1051.830688 19 1052.484253 24 1055.994629 22 1058.432983 18 1062.835327 18 1063.007568 23 1075.071655 18 1080.913574 17 1095.501099 27.000002 1111.543213 22 1115.786499 22 1124.017456 22 1138.240723 36 1139.92688 18 1143.890625 17 1156.907959 19 1162.144165 20 1164.454712 22 1166.351562 25 1181.455688 20 1183.481445 26.999998 1192.160522 25 1197.508667 18 END IONS BEGIN IONS FEATURE_ID=245 FEATURELIST_FEATURE_ID=Aligned feature list peak:245 MSLEVEL=2 RTINSECONDS=327.36 PEPMASS=424.03098 CHARGE=-1 FEATURE_MS1_HEIGHT=1.208E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8:1500"] SCANS=245 Num peaks=263 50.637268 18 51.703911 18 52.975723 20 61.086742 20 61.695351 17 61.974144 18 65.24427 34 68.610825 20 71.01651 38 72.172729 22 79.678398 30 79.752518 20 80.801041 20 86.846352 28 88.196915 19 88.517708 22 89.022011 18 99.047417 31 99.208344 20 99.925407 37 100.017937 17 100.111092 18 100.149048 18 100.816116 18 100.921387 17 109.947083 18 111.677811 20 111.961136 91 115.057793 18 117.935715 22 122.160439 17 123.961029 17 124.930611 32 125.941635 310.114075 126.94297 74 127.412354 18 127.943199 26 129.933685 19 135.031357 21 135.197052 18 135.965744 21 136.967529 20 137.941833 107 139.957977 145 140.959564 45 141.933517 78.621643 141.945251 44.009933 141.961624 17.789082 143.072296 19 143.899658 18 143.952652 129 147.962769 18 148.987 18 149.94426 17 150.741714 50 151.955963 141 153.893051 19 153.93837 121 154.944458 69 155.94902 72 157.949905 40 159.047424 18 163.960648 18 165.960342 23 166.973831 47 167.695419 18 167.951828 6281.639648 168.028275 20 168.953323 1127.558472 169.001343 18 169.932114 40.815319 169.94989 134.184677 170.952728 35 171.214447 18 171.950104 37 179.062027 35 179.408981 22 179.948807 18 180.002167 18 180.960892 46.000004 181.897827 18 181.931656 21 181.970795 65 182.93631 21 182.960251 31 183.625305 18 183.948425 355.992432 184.035141 26 184.946655 62 185.941711 20 186.96785 17 193.96669 108 194.96991 22 195.94693 764 196.947266 177.94342 197.957321 305.022949 197.985718 26.949936 198.964951 27 199.095413 22 202.964417 17 203.0336 18 205.066757 17 205.823837 21 206.932831 18 207.950043 18 209.971405 65 210.049423 18 211.971451 20 214.958115 21 215.972961 38 218.118912 19 221.966492 98 223.026367 18 223.914688 20 223.938354 57 223.973953 18 224.693802 30 224.910919 18 225.955139 185 226.895493 20 226.963104 86 227.971008 259.667206 228.968857 112 229.986618 149 231.96666 20 232.040756 18 234.930893 33 235.934952 30 237.95784 47 239.977936 30 240.97168 22 242.978806 44 243.966019 403 244.129654 17 244.97702 541.1698 245.153259 63 245.98262 3451 246.98262 363 247.984863 261 248.980667 20 252.954117 20 253.901184 31 253.947876 18 254.067719 18 254.948776 47 259.995941 107.706673 260.917725 18 261.975342 97 263.998718 18 265.220764 27 268.96991 43 269.982971 76 272.972717 38 274.697845 22 274.876434 50 274.985107 261 275.993439 142 277.002167 18 277.984192 36 278.924438 17 281.044922 18 282.971649 27 285.977173 330 286.981323 113 287.993378 1587 288.612396 18 288.995209 205 289.996429 114 291.19046 19 293.522888 18 295.956879 17 298.050629 20 299.948608 41 301.970734 71 302.947845 20 303.989471 1151 304.914032 35 304.994415 285.312134 305.991455 48 307.993896 18 313.977478 64 315.964752 20 315.988983 22 316.988678 57 324.204346 27 327.961914 25 332.920349 18 340.911102 18 341.110565 30 342.9646 42 343.983948 17 345.955414 18 345.991394 17 359.122742 20 363.997864 21 367.891052 17 381.110748 18 381.358002 20 382.132019 17 389.95929 22 402.002014 18 406.009125 17 406.03595 29 407.02066 43 407.051697 24 423.321259 67 423.933533 24 424.031189 1695.656616 425.032288 351.624115 426.036224 163 426.103455 20 426.954163 18 427.029846 36 433.230469 19 484.006622 18 495.2388 23 539.173767 25 610.279846 25 612.689148 29 617.695251 20 626.908081 18 663.647949 25 688.745605 22 691.224548 23 714.922729 26 726.443604 33 777.901611 36 804.662048 19 820.391541 18 823.933716 21 828.277832 18 849.111389 23 856.363647 18 877.391296 17 908.958923 20 920.607117 18 945.929932 27 946.952881 18 954.861877 31 962.290039 18 973.842651 23 973.917297 17 995.562683 18 997.83667 22 1014.096558 19 1016.470703 18 1019.87616 22 1026.817505 18 1042.852295 18 1054.88916 21 1056.425049 24 1061.875488 24 1062.720703 22 1064.955566 18 1070.992188 25 1091.848755 18 1111.306519 23 1123.511719 46 1153.44458 23 1154.677612 25 1160.256714 20 1162.682251 23 1173.948242 18 END IONS BEGIN IONS FEATURE_ID=246 FEATURELIST_FEATURE_ID=Aligned feature list peak:246 MSLEVEL=2 RTINSECONDS=327.42 PEPMASS=367.10479 CHARGE=-1 FEATURE_MS1_HEIGHT=1.047E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8:1479"] SCANS=246 Num peaks=147 52.605953 28 57.752979 19 58.028938 19 59.014843 43 68.049011 18 71.012474 205 71.876244 23 73.027374 20 83.018517 27 84.013496 70 85.009651 307 85.030891 170 86.259621 22 87.663155 28 89.024071 124 95.015045 102 96.955391 18 97.016289 33 97.026962 36 101.022049 55 102.028427 18 103.021629 78 108.047455 18 113.024582 1178.720093 114.029762 81 114.092125 18 115.017235 161.094009 116.932762 22 119.033241 54 124.635735 28 125.024315 218 126.02507 42 126.092964 60 127.021362 312.434937 127.092239 39 127.385384 25 128.018646 17 130.953125 20 139.020065 29 139.936981 18 140.03894 26 141.933853 18 142.966537 26 143.035919 108 143.072021 19 143.120483 87 143.822998 18 144.034622 26 144.929199 19 144.957855 18 145.032227 440 145.098053 838 145.161179 18 146.102325 23 156.035416 147 156.892136 20 156.959641 18 157.031647 693 158.020767 21 158.891693 20 158.942612 26 161.051254 69 166.053238 20 168.035294 26 169.032455 372.586029 170.033279 20 172.658936 18 174.463058 18 178.047943 20 179.377731 33 179.710556 20 186.050934 95.289299 186.852142 22 186.924896 22 187.041748 937.072021 187.108551 8430 187.563583 18 188.042603 39 188.061752 28 188.112213 884 188.170364 18 189.114426 117 190.709427 18 191.625824 31 194.790802 20 198.878586 18 198.892838 29.408106 198.924652 20 199.021515 26.37067 199.040466 36.476219 204.057968 36 205.052032 368 206.063873 23 212.051575 39 216.053955 56 217.052475 490 222.950882 18 229.054626 47 236.848557 35 238.965042 74 239.068634 42 241.043564 26 246.064301 85.656624 247.063461 506.96698 248.062973 21 248.200363 24 249.068573 18 254.102478 17 259.036713 29 269.814453 22 271.061432 23 276.080078 88 277.073242 303 278.085541 48 278.590485 18 279.90094 21 283.134552 20 288.073059 20 295.117035 20 295.998627 18 306.08844 146 307.086426 611 308.093201 81 309.58844 20 326.399963 18 331.095459 18 333.773529 20 336.089966 24 348.980316 18 350.103088 32 351.24054 24 366.107941 1063.648926 366.23468 18 366.278259 22 367.026886 24 367.058685 47 367.104034 4387 367.227539 54 368.10849 743 369.106384 320.957245 369.201447 17 370.106384 41 372.690704 22 374.040161 19 519.286743 20 738.491272 18 1061.862427 18 END IONS BEGIN IONS FEATURE_ID=247 FEATURELIST_FEATURE_ID=Aligned feature list peak:247 MSLEVEL=2 RTINSECONDS=327.50 PEPMASS=412.03072 FEATURE_MS1_HEIGHT=7.769E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8:1699"] SCANS=247 Num peaks=169 55.635887 26 56.817036 20 57.603195 18 58.00547 19 58.290031 19 59.011063 18 59.864796 27 60.228935 18 63.959038 18 70.76355 27 71.017136 42 73.26989 21 73.948166 18 78.093475 88 78.959435 18 80.352066 20 86.099854 28 89.021294 41 91.910133 18 92.205605 17 92.495392 23 93.227715 22 99.051971 22 101.025192 41 101.702774 41 104.669945 18 106.966682 20 111.021172 18 112.720055 33 113.940514 209.33699 115.143555 22 115.963524 22 117.232956 18 119.034477 48 125.049408 17 128.04245 24 132.839645 17 135.347031 19 139.919556 27 139.942947 19 141.936035 743.253723 142.93512 20 143.952133 97 144.872543 18 145.017166 55 149.657028 18 153.067886 19 153.646942 20 161.04657 20 163.057388 17 164.044342 18 164.895569 18 166.499283 18 167.95343 41 168.962616 33 170.956589 30 171.026978 18 171.251526 18 171.288773 22 171.946625 11197.413086 172.11647 21 172.949905 793 173.005707 18 173.0914 21 173.949722 260.874054 174.124603 35 174.416595 22 176.214401 17 177.129089 24 178.093414 22 179.056305 39 182.972107 26 185.006424 18 187.03894 19 188.245819 28 197.524796 44 197.934357 53 197.965683 17 199.959564 18 201.958099 74 203.022217 20 208.055252 22 209.465958 21 210.062668 17 213.954758 24 217.119751 18 221.060867 17 223.017517 45 225.964905 18 228.651825 18 229.97406 26 231.011108 71 231.968033 1679 232.921799 20 232.973389 134 233.307816 18 233.972427 37 236.88501 18 236.952103 18 244.900436 30 244.939148 25 255.239578 18 261.003937 23 269.012726 21 283.995209 56 286.820068 18 291.990997 1097.674438 292.053253 33 292.145386 18 292.997498 79 293.991028 39 296.912994 27 304.048706 17 307.853882 21 321.382629 20 322.943115 28 323.104828 25 340.129852 23 341.016754 18 341.109039 131 341.904694 17 342.959991 17 346.919739 23 352.012787 37 367.108063 40 367.202148 45 369.216156 17 384.079285 20 394.022552 18 397.078705 17 397.17511 18 397.289062 21 401.207306 50 411.146332 19 411.990204 19 412.032654 331 412.133209 17 413.033691 145 414.172607 21 414.993256 18 415.035858 18 415.112274 55 594.50824 28 686.089783 18 763.560974 22 813.971375 24 870.984253 20 968.84491 45 975.056702 18 975.117493 17 981.429749 18 996.228088 19 1006.140381 23 1031.491577 22 1038.183105 17 1064.93103 20 1079.245483 26 1125.423096 49 1129.867798 18 1133.333618 27 1136.249512 23 1141.235962 24 1147.918457 28 1158.063599 22 1162.852905 17 1171.397339 18 1178.713135 18 1191.666016 21 1199.025391 17 END IONS BEGIN IONS FEATURE_ID=248 FEATURELIST_FEATURE_ID=Aligned feature list peak:248 MSLEVEL=2 RTINSECONDS=327.58 PEPMASS=176.05601 FEATURE_MS1_HEIGHT=1.362E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8:1651"] SCANS=248 Num peaks=77 51.047363 23 51.398785 23 55.398685 18 56.014252 21 59.01458 200 60.99065 35 69.031219 46 71.015633 184 72.018372 22 72.045532 289 73.028801 23 74.023956 2063 74.050644 18 75.028999 40 83.014664 40 84.005806 23 84.018654 24 84.044777 800 85.029991 67 85.048691 61 86.977455 20 87.009743 43 87.760429 30 88.041679 54 89.024765 236.523727 89.039917 22 90.997925 80 91.824425 18 95.019966 75.663544 96.044014 209 97.047394 21 98.025322 126 99.046852 55 99.924141 18 100.038559 195 101.026939 17 101.045883 20 102.054214 65 103.060791 33 104.0345 983.413208 104.488541 19 107.047516 19 113.018715 21 114.054062 125 115.038666 18 115.797508 30 116.035515 1349 117.037895 173 118.034073 18 123.00943 36 125.552895 23 128.0354 349 129.034256 18 129.149979 39 130.9655 44 131.936539 18 132.060104 18 134.990463 85 140.936356 22 145.889893 22 146.045593 1211 147.048111 41 148.035049 18 148.052353 54 156.309448 18 158.043564 19 159.892242 20 174.740829 21 176.057159 493 177.058609 39 177.898987 19 178.90126 20 179.062088 70.95076 184.011307 20 224.042801 20 228.277557 27 436.652435 20 END IONS BEGIN IONS FEATURE_ID=249 FEATURELIST_FEATURE_ID=Aligned feature list peak:249 MSLEVEL=2 RTINSECONDS=327.67 PEPMASS=101.02411 FEATURE_MS1_HEIGHT=5.053E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8:1679"] SCANS=249 Num peaks=100 50.541157 18 50.678173 23 50.722385 22 52.873039 22 54.588428 18 57.599571 20 59.364563 22 67.762398 22 67.833267 20 68.754875 26 70.65081 23 70.905914 26.999998 73.030678 18 74.063927 21 74.452156 18 76.180367 27 77.718292 22 78.333664 18 78.591537 34 78.884148 20 79.511391 19 83.472305 18 84.301704 18 85.37323 22 86.836853 17 87.029831 19 89.759216 25 90.583405 80 91.459236 21 99.872528 18 99.925758 39 100.456673 18 100.93145 23 101.024025 121 103.000908 25 105.227974 17 110.414757 23 111.161446 18 112.07048 22 113.158112 18 114.131287 22 114.421608 20 120.809525 18 122.501762 22 123.837013 26 126.486305 17 130.77095 25 132.369415 20 134.25296 20 145.021255 37 146.28154 23 150.733749 19 165.791519 18 170.40712 18 175.300217 25 177.371307 19 188.812103 24 198.031525 20 202.388412 28 203.307266 27 211.460434 18 212.134171 23 214.151169 18 220.80426 21 222.18187 21 242.73204 18 250.867004 43 257.186737 18 259.128052 26 261.975098 17 267.621857 21 283.508301 28 288.835999 17 292.236206 33 301.176483 22 312.746185 19 331.810364 18 340.460022 34 373.0242 18 395.099426 18 423.288818 18 425.035339 20 472.954987 20 481.557495 21 804.856689 19 825.946045 22 865.498352 34 920.771484 18 933.159668 18 963.413879 32 998.286255 21 1048.394409 17 1074.140015 17 1088.432739 25 1098.129272 20 1115.775024 17 1150.467285 24 1161.955811 18 1169.435425 18 1174.857178 18 END IONS BEGIN IONS FEATURE_ID=250 FEATURELIST_FEATURE_ID=Aligned feature list peak:250 MSLEVEL=2 RTINSECONDS=327.69 PEPMASS=187.10837 CHARGE=-1 FEATURE_MS1_HEIGHT=1.826E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8:1984"] SCANS=250 Num peaks=75 58.027451 38 68.047249 17 71.013458 20 73.027725 18 73.598816 19 74.022545 18 76.440071 22 76.971176 18 78.515022 20 83.00985 20 83.191307 18 84.995483 21 85.018822 17.240929 85.026733 48.693295 85.067833 19 87.059341 23 88.930832 18 94.684036 20 95.049522 22 97.076134 172 97.998428 18 98.057961 35 99.008087 90 99.093201 54 100.040016 18 100.923737 24 100.950508 20 101.947517 28 102.057671 20 111.006096 97 111.047234 47 112.038994 28 112.474609 18 114.091255 57 114.942223 60 116.03627 22 118.588921 18 125.061874 44 125.099716 68 126.09272 79 127.040092 47 127.082817 18 128.070023 129 129.01947 23 139.091339 95 141.10379 78 142.103531 23 143.070648 85 143.120728 283 144.045074 21 144.125488 18 145.030762 19 145.097717 2978 145.679276 20 145.886932 20 146.100754 360 147.102036 18 147.959885 18 158.890915 20 159.044128 19 159.904465 20 171.091537 23 173.050552 39 187.079346 18 187.107925 3449 187.189713 20 188.111221 294 188.75325 18 189.021637 21 189.110306 36 189.344574 20 190.071274 20 191.090057 20 280.214935 20 369.108032 20 END IONS BEGIN IONS FEATURE_ID=251 FEATURELIST_FEATURE_ID=Aligned feature list peak:251 MSLEVEL=2 RTINSECONDS=327.80 PEPMASS=405.10225 FEATURE_MS1_HEIGHT=6.446E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:2002"] SCANS=251 Num peaks=191 59.013702 129 69.03186 100 71.012634 153 72.990631 18 74.022873 21 78.961647 18 81.0317 17 83.048744 20 85.026237 31 86.024384 24 89.02372 149 90.028343 19 91.054222 25 93.034081 332 93.093262 22 94.039909 65 94.98278 22 96.969238 20 97.02874 126 100.03833 25 101.023148 332 101.660179 31 102.027199 38 106.024635 18 107.050987 18 109.027168 38 109.06456 22 110.022606 22 111.019951 18 111.044189 93 113.023926 255 113.049873 18 113.060135 17 114.024536 22 114.946869 19 115.037598 17 117.017365 17 119.033592 62.796585 119.050331 334.2034 120.051369 28 120.17318 23 123.954025 18 124.046875 17 125.022766 61 126.944237 61 132.041672 38 135.042892 78 137.024628 438 137.05748 262 138.027756 37 138.063553 76 139.00528 20 141.02179 162 142.042618 19 145.018005 26 147.04747 18 149.063812 18 153.020523 41 153.093414 58 154.05101 43 155.032791 124 155.069733 40 155.087433 29 156.037231 20 157.014191 20 158.069855 20 159.036041 36 161.045593 43 161.058289 41.222637 161.999588 20 162.042374 19 163.04039 208.479416 163.070526 30 164.050262 50 166.967026 37 167.605988 19 167.792801 18 167.95192 173 168.955322 20 174.987 21 176.043365 20 177.018524 20 179.0009 21 179.106781 22 180.009399 94 180.040405 73 181.007965 17 181.049316 823 182.052795 153 182.969238 36 183.070435 18 184.037827 28 185.045944 19 189.013916 17 191.057037 28 195.057907 20 199.059326 410 200.063324 79 200.094711 19 200.112717 26 201.992371 17 205.033386 20 207.032181 64 209.067413 19 209.858292 20 214.149368 18 214.919159 18 215.050369 17 217.063156 25 218.049957 17 220.118011 19 222.075287 19 223.064133 17 224.02832 20.999998 225.04184 61 225.077194 17 225.895752 19 226.047318 26 226.065948 23 226.971786 17 227.051498 38.658173 227.068253 63.341824 227.101868 115 227.880783 18 227.964859 18 228.079285 20 228.124023 22 228.145386 22 228.961777 20 229.012772 21 229.922089 20 236.062759 18 243.049667 18 243.082596 22 244.052643 20 244.882309 23 245.02565 19 245.062042 18 245.973999 19 249.064728 30 255.127609 18 256.910004 21 257.013214 19 257.460999 18 258.119507 20 259.098999 22 260.077118 20 264.072632 18 275.029297 18 276.053925 23 276.106995 25 277.110626 29 281.059906 20 282.868195 26 285.054932 28 285.512054 19 285.880768 17 285.921478 19 286.893768 21 290.902344 21 291.076965 25 299.072327 29 301.071503 17 302.100952 20 302.898163 28 306.976562 17 315.101929 18 326.109314 24 331.067749 17 335.922913 18 343.103516 276 344.108826 18 361.113281 407 362.13092 18 375.13974 22 378.150238 17 379.18045 29 384.243561 20 387.085663 57 394.926849 20 404.892059 18 404.985352 18 405.102692 1927.968994 405.183868 18 406.105621 313 407.113586 82 407.197296 22 408.193604 73.094078 554.091858 17 856.639038 18 1140.416992 18 END IONS BEGIN IONS FEATURE_ID=252 FEATURELIST_FEATURE_ID=Aligned feature list peak:252 MSLEVEL=2 RTINSECONDS=327.81 PEPMASS=129.01861 FEATURE_MS1_HEIGHT=6.984E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8:1964"] SCANS=252 Num peaks=41 64.771179 17 72.992867 19 74.244026 23 76.964966 29 80.539536 18 85.027901 35 94.992554 18 99.922295 17 100.93634 18 101.026047 38 102.016151 27 102.242851 18 112.035332 21 113.924927 37 115.593033 17 115.91951 62 127.630035 18 129.017014 37 137.270691 20 142.804199 21 186.540695 18 191.682144 20 192.441711 26 195.127823 20 195.465515 17 203.781693 25 217.682007 25 235.241943 20 241.57988 18 256.03537 48 269.516632 18 285.782806 25 324.223846 18 335.922943 18 358.434814 22 365.964081 22 372.830963 18 386.307831 18 399.611725 32 468.191925 18 575.160156 17 END IONS BEGIN IONS FEATURE_ID=253 FEATURELIST_FEATURE_ID=Aligned feature list peak:253 MSLEVEL=2 RTINSECONDS=327.85 PEPMASS=147.02945 FEATURE_MS1_HEIGHT=8.622E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8:1978"] SCANS=253 Num peaks=103 51.065716 20 51.218105 22 52.221268 18 53.51841 17 55.661396 48 57.032288 205 58.458508 32 58.803043 26 59.015133 19 59.803078 18 60.58762 31 61.255798 22 67.001778 22 69.490158 21 71.015106 17 72.727692 26 73.030571 43 74.021881 23 74.381065 18 75.008125 47 75.160774 20 79.957642 21 81.632126 27 83.778603 30 83.790382 18 85.028008 878 86.031616 56 87.007759 60 88.550385 17 89.074593 28 91.218803 20 93.97612 28 97.404518 23 97.512138 20 100.237305 18 101.024406 1211 102.03167 76 102.051727 27 102.931679 38 103.039536 607 103.25386 17 103.543953 22 104.042526 61 105.290306 18 121.027931 44 121.238213 18 122.516129 18 125.388298 23 128.8181 18 129.01857 3577 129.258682 23 129.493469 18 130.024918 224 130.354691 17 131.030899 42 131.245926 18 132.627151 35 136.861313 27 140.847519 17 140.927231 29 147.029388 1100.767944 147.066498 78 148.032913 113 148.06134 22 148.075165 18 148.985291 20 149.023636 58 152.754044 27 153.213211 20 161.287552 18 171.446426 31 173.197601 37 175.731461 19 179.049545 18 187.11554 66 194.139221 18 195.172974 20 196.645462 27 220.143906 34 244.586884 25 245.229294 23 261.071777 18 282.609253 21 309.351654 18 345.720673 17 351.483734 19 359.119446 22 367.109039 39 416.007477 18 425.119934 18 466.781189 22 578.986816 18 929.918945 18 949.045471 23 968.940491 23 1030.835938 38 1096.0177 20 1103.936157 22 1130.358643 20 1145.989624 30 1171.530762 38 1183.650513 18 1192.966064 20 END IONS BEGIN IONS FEATURE_ID=254 FEATURELIST_FEATURE_ID=Aligned feature list peak:254 MSLEVEL=2 RTINSECONDS=328.62 PEPMASS=305.01722 CHARGE=-1 FEATURE_MS1_HEIGHT=9.311E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8:1850"] SCANS=254 Num peaks=315 50.848537 27 51.00206 35 51.178196 17 51.316021 31 51.851425 18 51.885738 52 53.180523 20 53.528538 23 54.392769 21 55.172783 20 56.569035 21 58.398392 20 60.214001 21 62.051113 18 66.443367 18 66.455482 20 67.029411 17 67.773987 26 68.786697 46 69.613899 24 70.428848 24 70.870453 19 70.926697 33 72.658356 20 72.727875 19 75.893425 18 76.195549 20 78.724953 18 78.958427 73 79.958092 17 80.204735 18 80.551086 22 81.043976 102 81.940643 25 82.041313 18 82.050072 18 85.496819 36 85.728912 21 87.007156 24 87.14695 22 89.025291 21 89.321167 20 93.45163 20 95.66684 20 96.541512 29 96.731766 20 96.957069 20 96.968712 18 97.470963 23 99.924446 59 101.006783 42 103.052391 22 103.160187 20 104.855965 20 105.594994 20 106.35334 19 107.714989 24 109.411041 35 109.430901 18 109.530914 20 109.641953 35 109.978607 33 110.405342 18 110.666214 17 110.833015 21 110.917984 23 110.98481 17 111.019684 77097 111.067863 1966.145874 111.114761 41 111.137016 36 111.164703 38.554165 111.190849 18 111.248016 20 111.283142 20 111.303101 18 111.32827 18 111.411819 17 111.443405 18 111.525665 20 111.571686 25 111.613525 18 111.629311 18 111.662888 20 111.694664 18 111.737267 20 111.750496 27 111.768837 18 111.798752 20 111.932961 17 112.022713 5466.513184 112.245819 17 112.272812 18 112.301971 26 112.466118 20 112.527565 20 112.601311 18 112.734047 18 112.909531 18 112.936111 27 112.980568 35 113.022713 501 113.050041 18 113.071381 19 113.112663 37 113.341461 17 113.555061 17 113.56562 19 113.588844 26 113.621391 18 113.638634 29 113.708336 22 113.789665 36 113.983147 17 114.026291 20 114.135666 24 114.415779 17 115.160683 18 115.215569 22 115.313469 17 116.068405 18 118.809273 21 119.028656 19 121.379616 21 124.188286 21 124.83609 22 125.003258 33 125.033684 215 125.533897 18 125.944046 56 126.916054 18 127.24736 17 127.873131 39 128.035309 130 129.616287 18 130.828461 20 131.043015 18 134.515503 18 137.561432 22 141.939026 18 142.9823 18 143.069565 18 143.913895 18 143.946579 18 144.909134 27 147.012543 20 147.713181 20 147.993912 32 148.903839 50 150.911926 30 151.03688 17 152.772781 27 154.149597 18 154.630875 18 154.938293 18 155.41423 18 156.936661 18 158.92067 24 159.896423 26 160.602371 19 160.899582 18 160.974945 38 162.403381 18 162.889633 18 162.971085 19 164.898834 22 166.051682 39 167.142715 18 167.951859 19 168.576447 22 169.068817 21 172.42601 43 175.008133 18 176.017059 22 176.053604 18 176.44783 18 180.918396 19 181.007233 18 181.863251 21 184.016678 18 184.899582 18 184.958923 25 185.905304 21 190.293427 20 190.956253 18 192.293625 22 192.547516 20 192.988586 266.53949 193.248566 17 193.715607 26 193.997787 22 194.997925 21 195.949188 17 196.91156 19 197.077225 18 198.213242 23 198.468567 18 198.92627 18 200.915848 20 201.952927 19 202.906418 31 203.034683 25 205.535461 22 208.071991 23 208.789841 18 210.927689 18 212.246277 17 213.052765 17 214.929504 109 216.047699 34 220.132156 18 221.5345 18 221.903854 17 227.139328 18 228.013382 19 229.905884 18 230.066956 24 232.035812 20 232.589783 21 233.152496 20 235.482407 19 237.128601 18 243.926224 20 243.96933 36 245.004837 19 247.034958 21 248.662857 25 260.935669 38 261.54718 45 261.979706 103 269.919952 19 273.092773 26.000002 275.043793 18 286.924744 19 287.219116 26 288.932312 34 290.075073 21 301.300812 18 303.914856 18 304.120575 25 304.201508 17 305.019012 1911 305.082062 18 305.926819 40 306.019928 187 306.136993 18 307.028595 78 307.200684 18 308.159332 20 309.164703 57 311.11557 18 311.16214 18 342.231506 18 353.200867 20 355.12973 22 360.169525 18 394.920288 20 400.917389 17 401.109528 24 402.976593 18 424.036316 72 435.088257 18 485.069885 17 487.888763 28 513.195496 26 529.129883 17 543.855835 18 559.311707 25 573.468628 25 586.217285 17 641.256409 20 649.011536 20 651.295532 17 659.349731 18 659.513916 27 661.136902 18 675.139038 21 723.025574 20 798.89209 17 845.884155 19 851.479553 21 896.963196 18 917.89032 22 922.869873 24 927.862488 18 979.731079 18 997.16449 24 999.412231 18 999.491699 24 1007.629333 24 1017.265381 18 1054.924561 26 1055.922852 18 1059.364502 28 1060.266846 19 1060.889771 24 1064.864136 29 1068.651978 21 1079.835815 17 1093.267212 20 1096.664551 20 1099.928833 22 1104.109497 20 1109.92688 21 1119.416626 37 1124.266479 20 1148.034424 19 1157.265015 17 1168.260254 44 1171.947021 17 1173.536133 17 1174.601685 20 1176.526733 22 1178.843872 18 1194.914429 18 END IONS BEGIN IONS FEATURE_ID=255 FEATURELIST_FEATURE_ID=Aligned feature list peak:255 MSLEVEL=2 RTINSECONDS=328.68 PEPMASS=111.01947 CHARGE=-1 FEATURE_MS1_HEIGHT=3.825E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:2020"] SCANS=255 Num peaks=184 50.405849 18 51.098598 18 52.519978 26 54.900291 25 55.297424 19 55.57188 18 55.823196 22 56.507439 24 57.147041 31 58.525173 26 58.933918 17 59.63345 29 63.83007 18 67.845863 20 68.934692 18 68.992798 41 70.279556 20 71.585152 18 71.923058 22 72.233955 17 73.197685 23 75.600883 18 76.021477 51 76.582253 20 78.999046 41 79.898643 22 82.978058 18 83.101624 30 83.815773 20 84.406242 17 84.663818 20 85.027115 41 86.176712 18 86.984375 20 87.131073 18 88.841599 18 89.023972 20 89.058388 18 91.212006 23 94.325813 18 94.977142 19 95.842384 22 97.808365 36 100.963409 17 101.67028 18 102.410927 21 109.463379 20 109.830597 17 111.017746 19 113.022842 60 113.920876 18 114.98481 17 115.156784 18 115.892204 19 116.329086 17 116.926239 33 119.866409 28 120.224083 20 121.556572 22 128.377563 18 128.890686 20 129.493042 43 130.91481 18 132.028931 17 136.743805 21 143.028 18 145.11116 18 145.490036 20 146.619949 20 148.749832 22 151.740814 20 153.400589 18 153.528442 20 153.762436 22 163.785126 21 163.884903 18 167.692688 19 167.978653 18 168.067596 21 169.653809 17 171.445419 20 177.430664 24 177.592453 20 182.760681 19 183.928848 18 184.701035 18 185.063202 20 185.681885 18 186.132996 34 192.053406 18 194.81134 18 196.047913 31 199.836807 24 205.890945 18 208.086807 22 209.544998 21 213.75148 28 216.03595 23 217.410797 22 218.44664 18 219.992798 29 223.493271 24 230.684433 32 233.881577 17 238.350784 21 249.705811 36 258.866577 17 261.745148 18 262.369354 21 263.67392 25 263.894684 25 266.038239 18 266.072998 18 267.560822 18 270.900879 18 285.850494 25 297.147522 22 305.031799 18 306.015228 20 315.166168 23 328.984802 18 340.368927 18 343.108795 26 344.281708 24 346.259949 23 355.642273 21 364.108643 20 369.1203 40 373.002563 18 383.521301 19 394.219757 25 399.131409 27 404.459595 20 405.063293 24 421.865112 17 429.070892 18 443.880646 25 448.136566 25 450.661804 18 452.202637 18 470.864624 25 475.343414 21 500.876282 20 536.160828 18 567.739014 29 571.117004 17 573.209473 18 634.062317 18 643.123962 22 652.763062 18 656.971313 18 667.501953 23 677.129089 20 714.968323 17 768.497864 17 784.060852 18 820.608276 21 823.849365 23 830.506042 18 872.849609 19 901.987061 22 973.420654 22 980.39856 19 981.19043 17 1035.505737 17 1040.482666 19 1057.13562 22 1062.452759 20 1080.932983 23 1084.34314 18 1087.948608 17 1092.615601 22 1100.935059 23 1116.889526 32 1148.064453 22 1148.488892 25 1150.576538 33 1155.13855 29 1160.251587 18 1170.222168 29 1175.492065 18 1182.039307 17 1197.228027 29 1197.92627 19 END IONS BEGIN IONS FEATURE_ID=256 FEATURELIST_FEATURE_ID=Aligned feature list peak:256 MSLEVEL=2 RTINSECONDS=330.07 PEPMASS=217.0824 FEATURE_MS1_HEIGHT=1.467E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8:1667"] SCANS=256 Num peaks=158 50.33498 22 55.392834 18 56.531834 20 58.030064 214 60.211842 20 63.083656 27 65.205284 26 65.604073 17 67.035622 21 70.029877 49 72.905579 17 73.237991 20 73.248314 22 74.022095 18 75.493652 20 76.303276 18 76.970551 17 77.912437 17 80.70871 22 83.061241 57 83.120895 17 83.411469 20 83.952499 18 84.046188 185 85.040764 19 85.049049 20 86.19149 17 86.452011 18 87.681557 23 88.160446 26 89.041809 17 89.094826 17 89.181305 20 89.920944 17 91.034225 18 95.165794 27 95.962898 18 96.587326 26 101.073334 258 101.395302 26 102.452553 18 103.005501 28 103.634895 22 108.572754 19 109.040504 294 110.042274 53 110.958359 19 111.024025 22 111.043037 18 113.067307 22 114.05394 28 114.259506 22 116.925774 24 119.045975 20 120.941467 20 123.056412 20 124.287994 18 125.070801 1985.240845 125.509567 17 126.056267 57 126.078217 82 126.544044 21 127.050812 2603.713135 127.076233 63.627892 127.894135 18 128.035477 472.778046 128.051392 95.22197 129.026978 18.145426 129.053741 46 130.034241 25 130.050171 17 132.400146 21 133.30719 18 136.93541 40 137.023193 18 137.074005 195.006454 138.00531 22 138.054886 19 138.238602 18 140.122986 27 141.802292 22 141.914429 18 142.974503 26 143.081696 557.86792 143.366135 17 144.049072 19 144.081299 18 144.961609 18 145.015793 45 145.061554 4208.12793 145.151672 18 145.583328 21 146.061859 214.932465 153.859558 18 153.975372 17 155.075943 18 157.048767 18 159.634354 18 159.891235 87 162.932907 18 165.805603 17 166.219406 18 166.67511 20 169.06192 493 170.062225 25 172.689926 21 172.959564 18 175.918518 19 177.899323 43 179.905823 17 181.062866 91 182.069489 41 187.071625 276 188.075363 88 199.073334 459.766235 200.074783 58 215.681152 19 216.045166 18 216.850739 37 217.084152 1656 217.246643 22 218.082184 182 220.049652 19 221.160751 27 221.677567 17 225.830383 22 228.493149 18 247.104401 20 253.060547 25 262.269897 17 263.320038 26 281.537842 20 285.140503 20 297.939789 20 305.007477 18 309.720764 19 310.368286 18 341.601593 24 388.554138 18 396.645447 18 405.690094 18 406.24411 29 407.077362 18 410.256927 18 451.84845 31 491.394318 18 499.011169 22 502.924896 23 514.196411 17 587.196411 17 601.648376 34 636.219849 18 720.761902 18 893.691101 18 1064.318726 27 1124.671265 18 1148.773315 20 1168.904907 41 END IONS BEGIN IONS FEATURE_ID=257 FEATURELIST_FEATURE_ID=Aligned feature list peak:257 MSLEVEL=2 RTINSECONDS=334.11 PEPMASS=277.05566 FEATURE_MS1_HEIGHT=6.401E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:2056"] SCANS=257 Num peaks=215 50.043571 20 52.267952 18 52.398968 54 53.274216 17 55.123985 21 58.324074 39 58.756943 37 63.347202 20 66.442642 19 66.714851 23 68.993843 21 69.536301 19 70.185509 18 71.01226 21 71.416519 23 72.53756 25 73.031975 22 75.00676 21 77.417618 18 81.04438 17 83.009567 26 83.960594 30 85.029533 229 86.469322 24 87.007195 17 88.041519 33 88.252914 17 89.024719 19 91.975471 19 93.002831 22 93.170395 18 94.981293 26 96.047173 23 96.966789 87 97.033615 20 99.00695 186 100.857857 19 100.936455 65 101.924263 23 109.026947 18 109.966385 18 111.007072 38 112.72924 24 112.992622 28 113.022598 99 113.378647 17 113.995605 1849 114.340393 28 114.499268 19 115.00222 485.169678 115.039719 18 115.132019 19 116.000633 18 116.689972 23 117.009346 17 117.022537 20 118.985352 22 121.213058 26 123.051163 47 123.594513 20 123.686348 21 124.673119 20 125.018097 38 125.17997 21 126.947861 51 127.000023 59 129.018051 60 129.87146 44 131.035629 20 131.902252 18 135.068222 25 135.458344 22 136.299774 22 137.587601 22 139.006851 46 139.273361 21 139.936615 25 140.372498 17 141.015976 38 141.239105 20 141.416321 30 141.932693 21 142.602295 20 142.943176 22 143.029068 19 147.624954 19 148.990753 20 149.022171 33 151.037933 59 153.023926 21 153.476639 18 153.940765 17 154.634949 19 155.050064 18 155.890594 21 156.174652 20 157.017792 192 158.01886 39 158.444046 18 158.942566 39 159.68837 22 159.777206 18 164.068726 19 166.891342 31 167.945496 28 169.013718 62 169.500595 18 169.968918 18 170.946091 19 171.941742 18 173.47496 22 175.010193 18 177.024139 27 178.654861 26 180.05835 18 181.95639 33 182.940659 17 182.997864 22 183.065002 22 184.103195 18 184.957962 20 186.048752 17 187.104889 20 187.97963 17 188.036224 21 189.042587 33 192.446503 17 192.990112 18 195.486603 20 197.106262 18 199.015976 58 199.087036 18 200.023392 18 200.449966 19 204.491516 20 204.82756 18 207.865662 18 208.000656 17 209.055405 18 211.142471 37 217.039871 18 219.903336 25 221.054977 20 226.044846 31 234.015945 17 234.190231 20 238.078003 17 239.067627 25 241.638245 17 242.036331 18 242.9599 36 243.954422 18 247.415375 18 249.710831 28 252.460968 17 258.983521 35 259.060883 29 260.165741 23 267.498535 26 272.294495 33 275.006226 20 276.105621 20 277.055237 2448 277.969208 18 278.058258 264 278.0914 20 278.986877 18 279.061554 60 280.00943 18 287.347198 17 288.655365 22 304.09668 21 313.148834 18 333.671387 22 336.392792 18 337.404053 18 340.029877 21 349.068298 39 358.944031 25 361.953827 24 374.090729 22 375.473816 28 393.119873 18 393.389313 46 394.026733 18 412.031616 22 417.977081 34 420.96637 22 429.123322 20 452.094208 18 455.348999 18 457.234131 47.999996 476.125885 29.000002 486.704437 18 509.943787 34 530.130554 23 727.030579 23 859.03949 21 908.052185 21 961.233948 17 978.55127 20 1004.246399 18 1005.164978 25 1023.144531 23 1036.878052 27 1052.541626 23 1087.114746 18 1095.387451 27 1104.606567 18 1141.311768 18 1154.448608 27 1155.446411 18 1168.090454 18 1188.219238 20 1194.001099 18 END IONS BEGIN IONS FEATURE_ID=258 FEATURELIST_FEATURE_ID=Aligned feature list peak:258 MSLEVEL=2 RTINSECONDS=335.07 PEPMASS=196.07202 FEATURE_MS1_HEIGHT=8.635E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8:1624"] SCANS=258 Num peaks=215 50.169811 20 50.51466 18 51.266438 17 52.30246 22 54.028309 45 54.452625 17 54.721729 20 56.247936 18 57.244831 25 57.312054 31 58.0294 19 58.13903 19 59.014194 20 61.435905 20 61.787979 18 61.988026 18 64.811378 20 65.719398 21 66.602676 18 67.973015 18 68.537582 22 68.640663 18 69.775436 43 71.343452 26 73.36557 39 73.493675 23 74.8564 28 75.182228 18 76.240501 22 76.344986 17 78.033936 17 79.425095 22 79.766945 46 80.03653 266 81.045273 502.111176 81.904312 18 82.050941 20 83.048965 18 83.92852 17 84.60479 19 85.761749 18 86.731644 17 86.894173 22 87.491776 18 90.287117 20 91.668724 20 93.04567 413 93.869064 20 94.049332 18 94.287437 36 95.123711 18 95.210159 26 96.957237 37 98.024094 175 99.003746 18 99.544861 18 99.92347 46 100.833267 26 100.931877 22 101.990837 20 102.601471 19 107.057671 64 108.016228 20 108.053452 53 109.068665 17 110.045105 35 110.072075 5778 111.075073 383 112.074463 33 114.016823 21 115.030632 26 116.925743 54 121.381821 43 121.943291 19 122.447769 18 123.704369 18 124.402443 18 125.108612 19 129.979538 18 130.075775 18 130.985703 24 132.904587 26 133.06749 22 134.071793 272 135.008896 18 135.076492 57 135.958923 32 136.051331 126 136.086227 18 136.175125 17 136.395065 22 137.034683 247 138.450455 18 142.321121 18 146.970428 94 150.055374 20 150.404037 18 151.076126 37 151.977844 17 152.014297 22 152.036072 18 152.080719 90 152.342377 24 154.028488 20 154.061127 2100.839844 154.936447 18 155.066025 199 155.37442 28 156.019699 19 156.068863 20 158.890488 35 159.893295 336 160.327072 19 160.640717 18 160.890717 24 161.901611 20 162.008392 28 162.18367 35 162.264938 18 162.941513 22 167.717224 18 168.163605 23 170.877884 21 175.124832 18 175.982132 20 176.894241 478 177.891495 106 177.907776 54 178.0625 53 178.889267 87.54229 178.984741 18 179.887848 20 179.937485 18 180.864075 18 181.000473 20 182.819092 27 188.188873 18 188.848633 38 189.968536 22 194.907837 169 195.905151 17 196.072357 1181 196.905289 39 197.072189 59 197.094635 17 197.269913 18 198.075531 18 198.942642 21 205.631882 23 206.083374 18 206.657806 17 208.049347 18 217.097061 22 220.730804 23 232.251022 18 236.708786 33 241.95163 20 246.705414 17 247.35289 25 248.65741 18 249.283157 22 259.065643 27 266.426819 17 267.585754 18 275.311554 18 277.186798 21 279.575012 18 283.00293 19 288.506653 35 293.894165 19 297.036011 33 303.956055 27 304.337616 20 307.226868 18 309.453156 22 320.152039 18 327.95932 18 331.799072 21 333.381866 18 346.436981 17 357.454315 18 371.581757 19 376.177368 26 394.703918 17 414.559662 30 442.569366 19 444.966064 21 461.309601 17 469.683594 20 481.687988 24 487.360626 20 508.740265 38 515.249329 18 522.661133 18 563.138306 25 577.268799 18 577.836243 31 676.679993 20 680.383606 18 879.771057 17 888.893677 20 946.887939 18 958.864685 18 1011.192749 24 1019.148438 18 1077.018433 17 1093.657349 17 1136.47522 18 1142.95459 22 1146.706299 18 1153.770996 20 1171.653564 18 1183.27124 20 1192.949463 20 1197.721802 17 END IONS BEGIN IONS FEATURE_ID=259 FEATURELIST_FEATURE_ID=Aligned feature list peak:259 MSLEVEL=2 RTINSECONDS=336.37 PEPMASS=551.16148 FEATURE_MS1_HEIGHT=7.929E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:2073"] SCANS=259 Num peaks=264 50.277737 25 50.458553 20 50.784946 23 53.694614 21 53.936802 26 55.732723 22 56.652447 20 58.836567 21 59.012333 37 59.655716 18 60.65234 21 62.348721 21 63.823322 24 64.716431 24 65.559502 18 65.77285 33 65.832642 36 66.533257 22 66.999313 22 68.281921 27 68.548462 22 68.77272 26 70.731468 60 70.871429 18 71.012924 154 71.186958 49 72.235985 18 73.030441 18 74.237801 23 77.385132 19 78.270401 22 78.397926 23 79.897369 21 81.033844 41 82.22303 20 82.231064 17 82.725632 21 82.808258 24 83.011673 46 83.38269 18 84.069214 22 85.0271 57 85.233101 33 85.40538 19 86.02813 37 87.006378 18 87.040253 17 89.025124 165 90.220673 27 91.055214 18 93.032539 38 95.011864 20 96.664398 24 97.029831 96 97.533478 19 98.029549 18 99.006355 21 99.043892 112 101.02462 335 101.524818 24 104.861313 18 105.032349 26 107.040833 21 109.02961 20 110.486526 18 110.592155 29 111.051308 20 111.749336 23 113.024567 270 115.039856 38 117.45488 33 118.022842 18 118.860054 22 119.032722 308.801819 119.140114 35 119.24511 21 120.035034 36 121.026588 35 121.375275 20 122.186623 18 124.724228 22 127.90519 53 131.03392 70 134.032654 24 135.043762 38 136.166763 17 136.627258 18 137.059204 213 138.030319 19 139.040909 147 139.06604 21 139.581131 20 139.959763 34 140.039032 26 141.402573 20 141.578415 18 142.023407 20 143.033569 180 143.796677 23 144.037109 28 144.916061 18 145.706863 24 147.043076 53 147.449631 27 149.046219 98 151.283615 17 152.772507 19 153.055069 119 157.049026 20 160.707718 33 161.045654 437.154358 162.419083 21 165.055344 269 165.97435 23 167.034576 24 170.763168 18 173.683167 18 179.055222 571.265259 179.884583 18 180.058304 37 181.065826 18 183.06279 265 184.067291 18 185.045944 19 185.332413 22 186.046524 18 191.032227 60 193.077087 36 197.128754 23 202.150635 37 204.568939 18 205.040497 64 208.033218 22 209.045746 836 210.039734 21 210.056702 21 212.053894 18 219.47406 18 221.066467 862.633728 222.069672 228 223.069138 17 224.950165 24 227.053009 100 228.061874 48 229.063644 39 238.866135 22 240.877686 21 240.962845 18 243.034317 18 247.000168 18 248.078125 24 248.907196 23 254.057526 17 258.972595 21 263.076569 107 265.148621 18 266.792572 18 267.286102 20 270.37674 18 271.098938 22 274.887543 35 275.9039 18 280.255798 18 281.067902 139 283.036926 17 284.687347 18 288.121796 18 291.887115 22 295.095581 18 301.151031 17 303.734619 19 307.653656 18 312.113312 18 314.1138 20 315.122528 18 319.900757 18 322.843719 21 323.096588 56 325.618103 18 331.102173 20 345.122772 22 347.080505 25 355.088745 28 357.849396 21 358.275909 25 358.570984 17 366.837708 17 369.881927 20 371.095459 39 378.745483 21 379.657776 20 387.407715 39 392.346008 24 392.944336 18 399.144379 18 404.050842 18 408.65509 20 409.064026 17 414.941467 20 418.704285 28.999998 426.982086 20 429.809265 22 448.191223 18 455.625061 52.707893 455.656769 21 463.121033 22 478.8479 72 478.991882 21 481.968933 18 491.003448 17 506.547974 19 507.171387 59 509.172424 17 516.042542 21 520.210266 20 522.25 24 523.219238 19 542.552917 18 551.159424 4427.789551 551.355957 18 551.669983 18 552.163757 1238 553.16864 262 554.049622 25 554.163818 73 556.157837 19 560.084778 27 573.140381 18 603.171814 19 634.614258 20 667.193787 26 675.372498 18 695.06958 18 723.230652 18 723.801941 18 740.196289 18 754.050842 22 756.242737 19 764.542664 19 795.238953 20 884.823669 18 885.226196 34 904.704529 18 913.563782 20 915.524414 29 916.830505 18 991.186584 19 1031.259277 20 1039.621704 17 1055.223389 20 1065.136108 19 1071.224121 20 1101.724121 22 1103.143799 27 1113.03125 19 1115.641235 22 1125.696655 26 1131.954102 23 1134.786987 24 1174.658691 21 1181.160767 21 1181.244995 25 1184.606201 21 1189.618408 21 END IONS BEGIN IONS FEATURE_ID=260 FEATURELIST_FEATURE_ID=Aligned feature list peak:260 MSLEVEL=2 RTINSECONDS=344.77 PEPMASS=283.10254 FEATURE_MS1_HEIGHT=5.518E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8:2106"] SCANS=260 Num peaks=90 59.010612 18 71.014755 21 73.265083 31 73.466949 22 74.023888 18 75.897682 20 77.055252 20 83.992813 17 84.338219 17 85.027702 39 85.720856 17 86.86351 23 89.02507 67 91.688683 17 95.071754 37 97.059746 18 101.026115 23 103.030334 20 108.386818 22 112.089882 22 113.024063 20 119.035538 41 121.04763 61 125.027679 18 125.904144 21 127.091255 23 127.383408 25 128.756256 31 129.103165 293 131.083527 638 131.8172 18 132.087814 18 133.086121 23 148.910294 34 154.09996 22 155.086639 32 156.080948 61 156.560104 18 157.010178 31 161.041489 20 163.004333 24 163.315704 18 163.857239 52 171.073044 17 173.09761 1539 174.105148 53 176.900696 17 178.04744 20 179.031693 18 179.05896 65 180.080231 17 180.095261 19 181.484482 18 184.010727 22 187.057602 25 193.265762 18 198.088547 163 198.519592 83 210.124573 20 213.100235 20 214.476639 26 215.114502 1605.052734 216.117401 121.850128 216.135422 35 216.579498 19 217.118454 31 218.002167 17 218.085693 21 219.797562 24 235.952499 23 236.072708 18 242.014557 26 242.072739 20 243.974106 24 249.442688 32 271.06781 24 272.922882 19 283.1091 36 283.266602 17 284.126526 34 286.037354 18 287.083466 21 287.113068 17 324.240814 20 341.934509 17 421.180542 20 431.696198 23 533.138428 20 563.166321 27 936.678284 17 END IONS BEGIN IONS FEATURE_ID=261 FEATURELIST_FEATURE_ID=Aligned feature list peak:261 MSLEVEL=2 RTINSECONDS=345.52 PEPMASS=156.02736 FEATURE_MS1_HEIGHT=5.471E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8:1739"] SCANS=261 Num peaks=201 51.122826 23 51.148827 20 51.936905 18 53.207413 21 53.485119 27 54.34713 18 54.61338 65.763824 54.621258 26.400156 54.888615 34 55.181953 17 56.332771 18 57.126411 22 57.183502 18 57.236725 20 57.334068 17 57.595592 28 57.649174 20 58.502262 18 58.979271 22 59.829731 18 59.895096 21 60.745247 37 61.535507 18 62.117523 18 62.231892 18 62.531532 22 65.460602 35 68.393456 17 70.01545 33 70.42894 18 70.575241 20 73.074989 20 75.366692 32 76.009781 17 76.179611 18 77.893906 24 79.229019 23 79.3153 20 79.699699 22 80.144234 23 80.545303 18 81.179169 24 81.490288 32 81.642799 28 82.188438 18 82.87384 17 83.455078 17 84.247459 37 84.298668 18 86.146339 18 86.291725 18 86.827972 36 88.039978 3164 89.023148 37 89.040367 136.67482 89.049957 74.32518 89.324371 19 90.039268 22 90.362167 28 91.697136 18 92.552444 20 93.805527 36 95.187607 18 95.261414 28 97.419373 27 98.254112 20 98.864105 18 99.575981 22 100.329185 18 101.58918 18 101.6446 26 102.069618 29 102.581573 18 102.900658 23 103.983345 20 104.547348 32 104.899025 30 108.271812 18 108.511253 28 110.227821 22 110.438187 20 110.719269 33 112.98867 22 113.411873 18 114.7677 20 119.130997 22 119.907883 20 121.279633 21 122.718201 37 124.917686 18 125.874588 18 125.979599 19 128.460861 17 128.903946 21 129.629578 29 129.796936 26 129.995758 18 130.075653 20 130.130157 21 130.355164 40 130.419144 21 131.398315 22 131.90831 18 133.109497 37 134.823669 18 137.740845 19 140.282547 20 140.906708 17 144.431793 22 145.172012 21 146.046646 27 147.591156 24 148.506989 21 152.703644 33 153.650497 24 155.035522 18 155.358765 17 156.026535 203 159.008041 18 159.894684 18 163.997375 17 164.455978 26 167.065918 18 168.911285 21 169.021103 28 172.354858 27 173.033737 24 176.953018 20 178.269806 19 178.356064 19 196.113678 18 196.445816 22 196.651276 22 206.371262 24 208.739502 18 212.832581 23 212.932785 19 213.89946 18 219.303696 34 219.558685 18 219.943115 20 223.590515 19 234.690506 29 234.818893 17 237.705826 22 238.921402 18 248.970718 17 249.545822 22 253.937592 30 254.450012 17 264.093109 18 273.945312 18 277.159058 18 277.220825 17 289.061737 17 293.674438 20 296.228394 22 299.9086 26 304.658478 20 307.239502 18 312.722107 21 319.606812 24 321.736877 18 326.426666 18 328.281769 18 331.32373 43 338.050262 18 343.529724 37 347.472687 26 369.725128 20 371.536835 19 374.122345 25 388.700684 20 389.857819 21 397.567505 22 403.022736 18 406.901581 37 420.267334 25 425.512909 20 434.391937 31 447.539581 54 452.645508 17 458.53299 18 459.641479 24 463.493408 18 469.082397 32 474.32782 17 485.863434 18 486.911743 20 583.210022 38 610.439941 20 674.98053 19 726.211609 17 733.660645 21 833.949768 18 849.126099 18 1033.018799 30 1101.041382 18 1124.886963 24 1158.926758 18 1180.925659 19 END IONS BEGIN IONS FEATURE_ID=262 FEATURELIST_FEATURE_ID=Aligned feature list peak:262 MSLEVEL=2 RTINSECONDS=347.23 PEPMASS=248.96001 FEATURE_MS1_HEIGHT=6.446E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8:1876"] SCANS=262 Num peaks=152 50.521179 18 51.487762 19 53.014027 18 54.203384 19 54.484852 22 55.064121 17 57.279999 22 61.815464 22 62.100597 20 62.23761 20 63.774509 25 64.604156 37 68.131752 24 68.995461 73 69.771774 23 71.085983 17 72.391457 19 73.023903 18 74.237602 18 74.700249 31 76.666237 22 77.543793 25 78.04863 18 78.100067 18 78.114044 17 78.915611 20 78.981606 26 79.096458 18 80.309631 18 82.475548 21 82.542053 26 84.98912 17 86.144066 39 86.49453 51 86.803108 17 87.173996 17 88.952698 20 89.025826 20 89.300346 17 89.328423 34 91.684937 62 92.3414 29 97.159821 27 98.171867 20 98.972214 22 99.550926 18 100.304047 20 107.081085 56 107.117043 28 112.661263 18 112.985115 5443.503906 113.29821 18 113.987717 118 114.616852 34 114.684319 18 114.993706 41 116.271309 19 116.636879 32 121.591988 28 122.034035 18 125.779243 34 129.113739 34 129.574173 20 136.926636 27 137.541397 20 139.546783 25 146.467712 21 149.255325 35 150.098267 19 151.170258 24 156.021545 17 156.312027 52 160.727509 18 163.655762 20 167.076447 17 168.227539 20 169.947601 41 176.670898 27 177.451218 20 178.095535 31 180.968933 38 186.698715 20 190.6185 34 191.64325 18 193.507126 27 194.845352 24 197.580688 20 200.499374 18 200.572723 39 201.037643 18 201.686188 28 203.638 24 206.69632 40 206.829803 28 210.823105 25 212.224304 19 220.835312 21 237.747757 22 248.955811 72 250.143356 22 251.094452 30 251.157166 43 260.751007 20 266.251678 42 276.465393 18 285.06485 19 296.705109 24 299.026825 18 302.574249 18 309.116608 33 316.944977 20 357.410919 19 365.222198 18 376.089844 32 384.937469 60 385.936951 17 389.361176 27 403.996582 37 407.432129 41 408.271851 20 418.04364 23 452.915009 18 459.311371 28 472.730927 41 475.800903 18 489.451202 18 506.405762 29 523.53595 28 529.343994 30 640.538513 23 675.297913 29 686.670532 28 694.193665 21 712.727173 26 722.961731 20 757.946716 20 814.323059 29 857.66925 22 971.848572 18 1018.34845 27 1052.342651 38 1062.878296 17 1065.325928 18 1065.80542 29 1099.310669 18 1147.145142 21.999998 1161.79834 17 1162.14563 40 1170.144653 20 1177.744873 18 1178.21814 18 1189.312378 22 END IONS BEGIN IONS FEATURE_ID=263 FEATURELIST_FEATURE_ID=Aligned feature list peak:263 MSLEVEL=2 RTINSECONDS=350.32 PEPMASS=118.05036 FEATURE_MS1_HEIGHT=1.044E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8:1978"] SCANS=263 Num peaks=265 50.542171 18 50.871281 26 53.674629 20 53.996918 18 56.839947 22 57.406071 17 58.184349 21 58.311359 27 58.402905 17 60.01318 18 61.067928 31 62.334183 18 63.885212 22 64.473747 18 64.563484 20 65.110596 22 65.267403 20 66.234703 18 66.340759 18 66.404289 23 66.904388 20 66.924065 18 67.350121 26 67.396606 18 67.444771 17 67.795349 24 67.809624 17 68.43438 26 68.992615 18 69.673401 20 71.937988 26 71.97068 20 72.306519 18 72.41774 22 72.799347 22 73.123123 18 73.150452 20 73.715202 31 74.02552 693.439026 74.088982 26 74.2658 20 74.307556 19 75.028877 142 75.451027 20 75.683792 24 77.660782 21 77.743309 18 79.762901 28 82.787575 17 84.433395 18 85.366692 17 85.546608 21 87.083504 22 87.616127 27 87.777313 25 89.269646 20 90.297897 18 90.373978 18 90.75631 22 91.314537 19 91.658897 38 92.137955 28 92.266251 26 92.765846 20 93.07547 18 93.322433 25 93.971672 17 94.065765 24 94.947731 18 94.984413 24 98.100937 17 98.17086 23 100.060219 17 101.926163 20 102.225792 18 103.419151 17 103.63221 18 104.315994 23 107.199051 20 107.278877 18 108.087135 20 108.642349 26 109.781105 18 109.98037 18 112.593048 31 115.566246 21 115.724747 22 116.855865 52 116.917542 19 118.050613 507 119.045578 17.084736 119.05761 47.437317 121.369888 20 122.069191 18 122.244896 21 122.596504 19 122.627998 28 122.982811 18 124.574959 18 125.093018 25 126.499275 20 126.792999 18 128.165192 18 129.022705 20 131.584656 22 131.962341 22 133.869888 20 133.955521 20 134.085083 29 135.406876 21 135.451111 18 136.027191 29 139.951736 20 140.366516 18 140.792114 18 140.928024 21 142.860199 18 143.226349 18 145.50032 20 147.169128 19 147.473984 18 150.464325 18 152.700745 18 153.978165 20 154.421753 22 156.877029 22 160.206268 28 161.689316 20 162.707077 23 163.114441 24 165.122482 19 167.528656 17 169.78508 18 171.000336 21 171.061462 18 171.229691 19 175.224869 17 175.756287 40 176.906326 29 177.023468 17 179.059525 24 181.722672 18 183.481796 18 185.877701 18 186.041916 55 186.765167 22 187.641205 40 188.361542 17 188.577591 21 190.077652 20 191.363831 20 191.43335 18 194.442001 28 197.447845 18 197.590775 48 198.178223 37 198.392456 21 207.295532 21 207.712906 24 210.991791 17 212.53717 18 216.140457 18 218.651123 20 221.070923 19 225.161835 17 226.105347 22 229.025208 18 230.750031 20 230.774643 20 232.779572 17 233.501022 18 235.458847 26 237.621765 23 241.747086 22 242.709763 20 243.764191 18 253.641663 19 254.363464 22 255.03096 21 259.094421 72 260.646759 20 265.050995 45 268.386139 29 270.286316 18 271.787598 18 273.681091 26 275.492035 22 280.313721 21 293.559235 20 299.199615 20 302.524414 18 304.95813 25 308.774445 22 315.393677 22 316.940918 18 333.079865 20 336.648438 22 341.07019 49 343.926941 18 345.4935 26 348.125854 18 353.903381 24 356.390259 18 357.662445 20 359.985687 21 362.730927 19 363.169586 18 368.529999 20 393.779388 35 399.289459 19 409.935516 25 411.289917 21 413.45697 19 417.929016 18 518.533997 23 522.285706 20 539.795532 18 571.765259 22 583.477051 23 585.889282 18 598.000793 45 615.100098 18 625.90918 25 647.122375 33 701.891602 18 706.284424 18 761.329346 22 780.20636 17 824.152649 18 830.106506 21 851.407349 20 872.41748 18 876.05542 21 898.971375 17 909.794189 19 936.593994 18 957.11554 19 982.536743 22 992.917053 24 1018.063599 18 1018.975464 17 1019.301575 24 1023.135315 20 1028.996216 18 1029.223022 18 1035.180176 24 1060.61084 22 1073.858643 23 1083.491821 18 1101.163208 18 1110.116211 45 1121.119263 21 1124.628052 20 1125.972656 20 1128.11499 21 1130.550049 20 1139.66272 19 1149.112549 19 1156.586426 22 1158.062012 18 1162.047852 29 1165.876221 29 1178.154541 18 1199.030029 20 1199.520386 19 END IONS BEGIN IONS FEATURE_ID=264 FEATURELIST_FEATURE_ID=Aligned feature list peak:264 MSLEVEL=2 RTINSECONDS=350.48 PEPMASS=259.09075 CHARGE=-1 FEATURE_MS1_HEIGHT=3.014E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8:1983"] SCANS=264 Num peaks=206 51.497215 18 56.130611 33 56.241127 24 56.402565 21 56.570465 18 56.60453 48 57.17038 18 57.756912 18 58.128635 23 58.988255 25 61.149879 31 62.355068 25 63.133022 45 65.266983 18 66.652313 22 69.041039 19 72.443527 19 72.974655 17 73.713951 19 74.02449 4559.105957 74.361435 26 74.464592 60 74.618477 22 74.929779 18 75.024422 135 75.062485 18 75.072334 18 76.474442 18 77.654465 23 78.012062 25 78.634377 24 79.957291 18 81.282387 17 82.563568 19 82.689529 27 83.926941 18 84.18383 23 84.854446 18 86.915237 25 87.584885 52 88.00499 21 88.040306 20 88.068771 24 89.102417 22 89.764336 23 90.490807 22 90.98748 22 92.01461 20 92.253731 31 93.951675 29 94.420998 18 96.047379 28 96.512856 23 96.96772 17 97.843208 20 98.983582 36 100.413269 18 100.544029 18 100.721382 18 102.752914 22 103.281265 20 103.424385 28 104.204033 19 104.963478 23 105.437218 21 109.029778 18 109.869118 22 113.490082 18 114.017128 26 114.614731 22 114.944115 20 116.78669 20 117.075676 18 117.311813 21 118.050285 17701 118.205551 19 118.255379 23 118.26619 19 118.345207 18 118.570648 18 119.054497 1007.540283 119.178627 26 119.426109 24 119.498413 17 119.582726 35 119.904572 18 120.055862 149 121.296349 18 122.361679 18 124.009354 208 124.596123 19 127.904617 18 127.961136 18 128.903412 44 130.490341 18 133.983932 18 134.260223 19 134.630783 22 138.593521 29 139.989227 19 140.031479 378.275757 141.032639 21 141.933624 23 144.805817 36 145.895767 36 146.893188 26 146.941055 24 149.553894 18 152.938171 41 153.031006 24 156.901962 22 157.075668 19 158.040436 25 158.894318 19 159.509033 23 160.021072 22 162.888443 18 163.920258 18 165.45343 19 166.836166 29 168.946762 18 171.037735 122 172.314423 19 173.907684 19 173.944473 18 179.837723 18 180.922745 24 185.923233 18 186.032242 18 188.213165 18 189.94223 20 191.989197 57 193.865067 19 194.247833 17 200.255753 19 203.962982 26 209.88324 24 210.95076 20 211.305191 18 212.839569 32 214.016754 20 214.687042 20 215.064651 214 217.064148 17 231.05336 22 232.351471 18 232.962799 19 234.174637 20 252.291534 23 253.243866 18 255.242661 20 255.349365 23 256.155182 22 259.090881 2395.542725 259.812958 19 260.063477 40 260.096008 225.624634 261.063599 36 261.104584 36 263.052063 21 265.048737 35 265.215759 30 266.001282 45 270.452332 29 271.70166 20 275.997925 27 276.553894 19 278.693451 18 309.90152 36 313.606232 22 314.984802 21 326.004181 25.999998 326.075317 18 328.250793 21 337.137909 18 344.566956 18 351.714935 18 375.779083 33 377.601593 18 378.435303 24 382.844452 18 385.388916 24 386.535065 17 390.229431 18 397.095612 18 410.51297 19 411.125366 17 412.08548 18 430.930756 17 444.960693 22 449.482971 32 462.158508 18 476.491821 18 507.846832 20 536.096436 18 622.679321 18 625.610229 18 670.663513 28 755.783081 20 875.506531 18 881.852783 42 1040.829468 30 1089.086182 23 1119.542847 19 1124.970703 18 1178.594238 17 END IONS BEGIN IONS FEATURE_ID=265 FEATURELIST_FEATURE_ID=Aligned feature list peak:265 MSLEVEL=2 RTINSECONDS=351.53 PEPMASS=460.16647 CHARGE=-1 FEATURE_MS1_HEIGHT=1.283E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8:1915"] SCANS=265 Num peaks=242 50.499882 17 51.657368 21 52.482609 20 53.486679 21 54.166401 20 54.822807 18 55.017902 18 55.458115 18 55.644367 18 55.979759 17 57.695183 20 59.012604 176 61.083778 18 61.902435 18 63.947918 20 64.090332 20 65.135384 20 66.755386 30 67.132622 20 67.970184 20 71.013885 435 71.0578 20 72.946434 21 73.486992 22 74.024055 611 74.158539 19 75.030411 17 75.273193 20 75.424339 17 79.26487 18 80.836494 18 80.94104 18 82.114815 65 84.617554 22 85.027771 139 85.586662 22 86.082619 28 87.010056 59 89.02314 1207 90.027115 86 90.131264 22 90.390778 35 91.42849 23 91.765587 38 92.224052 27 92.672043 19 95.012642 77 100.708122 22 100.73642 17 101.025146 474 102.023895 19 102.042595 32 102.18721 20 103.012238 18 104.927864 26 107.03286 17 108.65509 18 111.389481 19 112.374588 24 112.702324 18 113.024307 2102 113.049721 25 113.993507 17 114.02594 84 114.418831 21 115.204071 19 116.428757 18 118.049896 8711.616211 118.462334 18 118.684738 18 118.734528 22 118.847939 17 119.034973 1271.942749 119.053116 506.05722 119.143471 17 119.333748 18 119.543869 19 119.826477 18 120.044006 76.234566 120.055756 108.551758 120.654968 19 120.893761 20 122.342628 23 123.899948 18 124.008598 478 124.294197 19 125.011955 30 125.282387 18 131.0345 49 132.036377 17 133.29454 18 136.51683 20 139.356567 21 141.347015 22 143.034302 209 144.034454 18 146.171494 18 146.889664 22 147.857178 31 148.692429 21 149.046112 106 150.314651 24 151.967407 25 154.728928 20 160.874893 24 161.044891 1799 161.456985 18 162.049423 42 166.048477 18 166.993515 19 167.038818 25 167.138779 27 171.003448 22 179.054871 2726.429688 180.058624 203 180.342056 18 180.973877 37 181.058502 58 183.027817 20 183.637695 18 186.042984 101 188.046036 17 191.801086 28 191.937592 20 191.996979 72 194.321716 18 195.15123 42 195.790237 19 199.042999 20 201.70636 20 203.045502 18 206.1866 18 207.587769 20 211.8862 24 212.197968 30 214.956757 22 222.075089 23 225.572235 21 230.62442 18 233.065765 37 233.998611 33 238.748581 18 244.419144 28 245.251556 26 246.00679 17 249.072372 20 250.567841 21 250.88681 18 250.961288 18 251.075272 162 251.52861 18 252.075928 18 254.162537 17 254.183975 19 255.237503 21 256.91748 20 259.088379 103 260.102478 18 265.044464 58 268.785461 17 268.809113 26 271.000275 62 278.64566 18 293.496155 18 297.997101 18 299.085449 23 302.102234 21 302.296478 30 305.089935 26 313.055328 21 313.977844 18 314.009033 17 321.665985 17 322.130249 18 323.094696 38 326.673431 22 327.080353 27 335.645538 22 341.108704 202 343.127319 30 356.598145 18 357.589355 28 376.009796 18 377.077881 22 381.418365 24 389.081757 26 403.857697 19 407.961456 20 409.342926 22 413.523804 22 413.745972 17 443.137085 29 460.167267 330 460.239624 47 460.9841 18 461.169006 187 464.101532 18 466.941467 24 467.615814 18 468.68457 17 487.223633 22 537.199768 18.000002 538.991821 18 546.934021 18 585.919189 20 618.226807 21 662.660889 22 682.399353 20 728.658264 17 730.608887 21 742.051758 21 767.655029 31.999998 810.108398 21 814.931519 29 854.998169 20 856.006653 18 917.029175 17 943.985962 29 957.341553 18 972.037048 20 985.411621 29.000002 994.118713 20 1022.55719 20 1024.030518 21 1035.061401 18 1041.000854 28 1053.007446 17 1066.689087 30 1066.851685 18 1083.394409 25 1092.593018 18 1101.029297 17 1101.518677 20 1102.44812 25 1108.937988 18 1129.009521 23 1148.01355 22 1154.484253 20 1155.860718 18 1171.033447 17 1187.882935 17 1194.93335 17 END IONS BEGIN IONS FEATURE_ID=266 FEATURELIST_FEATURE_ID=Aligned feature list peak:266 MSLEVEL=2 RTINSECONDS=351.53 PEPMASS=265.04728 FEATURE_MS1_HEIGHT=1.118E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8:1857"] SCANS=266 Num peaks=89 55.03474 22 64.972069 33 74.02597 218 75.731255 17 79.957825 466 80.966438 21 81.944672 19 81.956055 18 83.661911 19 89.022102 26 96.305084 18 96.959526 41 103.040176 22 106.98011 40 117.299019 19 118.0513 549 119.034012 43 119.050232 37 124.006844 11175.297852 124.432343 19 124.597313 19 124.930191 18 125.008926 532 125.218452 18 125.405647 18 126.001762 412.376892 126.167763 22 126.931488 20 127.007462 18 127.045166 17 137.07663 18 145.895508 18 145.990051 18 146.752335 18 146.899323 50 147.992905 18 148.895844 18 153.075439 20 154.912369 24 162.89534 17 164.002533 86 171.927277 17 172.999924 39 176.604858 22 182.452972 18 191.054718 20 201.942703 39 202.938324 18 203.014679 46 203.580521 22 205.008575 22 214.326767 18 219.86145 18 221.022446 150 221.932175 18 222.001648 20 222.124451 17 223.023987 42 224.241516 18 234.641251 19 238.309723 18 240.86792 17 245.118088 18 265.046295 378 265.148224 76 266.034851 38 266.148224 18 268.926697 28 271.835724 20 285.260895 20 287.52713 21 305.046875 18 357.777374 18 362.08725 18 362.160889 17 376.318939 18 388.1698 19 403.639923 18 422.194 18 423.462769 35 440.970551 24 447.152069 17 447.707764 20 462.540985 18 464.164948 17 505.545563 20 568.73877 19 579.851074 25 768.940918 17 END IONS BEGIN IONS FEATURE_ID=267 FEATURELIST_FEATURE_ID=Aligned feature list peak:267 MSLEVEL=2 RTINSECONDS=352.01 PEPMASS=271.0033 FEATURE_MS1_HEIGHT=1.319E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8:1744"] SCANS=267 Num peaks=174 50.104103 22 53.312881 17 57.629066 18 60.234192 20 62.718929 18 62.772942 24 63.085152 28 65.614326 18 66.867935 17 66.969971 22 69.744438 24 70.944023 28 71.142754 18 73.297676 18 75.101341 22 77.232269 20 77.870399 18 79.957474 790 80.039635 28 80.963463 106 81.953812 67 82.982117 18 84.936058 18 85.372398 27 86.813515 21 87.148315 17 89.265289 18 91.31163 20 91.662071 21 98.637695 28 99.864594 37 102.74147 20 105.964615 18 106.978195 67 109.670029 43 109.898941 18 112.983391 18 120.170341 18 123.319527 18 123.981468 18.703512 124.006813 15259.345703 124.342026 18 124.601341 18 124.702682 19 124.7313 21 125.007935 501 125.355179 19 125.501778 29 125.87191 18 125.919998 23 126.003105 951 126.907707 18 131.599197 18 131.867813 23 139.674744 18 141.126694 20 141.999588 17 145.135605 20 146.477921 21 150.859512 17 151.078842 18 154.327499 20 154.657745 23 156.544418 20 157.421555 20 159.892914 18 160.888245 17 166.847839 18 171.052322 18 171.175095 21 172.466141 18 173.089462 18 176.421692 18 177.299438 30 181.465088 20 182.922821 18 183.977325 44 193.51004 31 200.151489 18 201.382248 20 203.69986 18 208.66333 18 208.729568 18 208.907837 18 221.183731 24 223.927292 24 224.863022 18 225.790817 21 226.097519 19 227.634628 20 228.071777 27 229.004608 20 234.008072 18 236.193054 20 236.844467 22 243.07399 17 244.021362 18 245.49559 19 249.020203 18 251.772705 27 251.888138 24 255.422943 21 255.53775 20 256.050751 20 260.355408 18 260.449127 22 263.258423 25 264.646149 18 264.84314 23 265.177643 26 267.683014 18 268.812836 18 271.004883 904 272.001587 70 272.106995 22 272.886108 18 272.99881 126 273.887787 38 275.167786 26 277.285706 22 277.359192 18 283.860626 43 287.944305 21 292.405792 17 299.869232 18 302.20517 18 312.573395 20 315.258209 43 323.448151 20 323.925873 18 324.638123 27 326.306061 22 340.899139 29 344.298706 22 344.815155 20 350.170502 25 350.509186 19 351.978516 18 356.520538 22 364.247742 18 367.999603 18 381.908722 20 406.409241 18 419.321716 18 430.025757 19 430.90097 17 451.441376 24 461.979126 18 477.288605 22 478.786743 25 487.40979 20 488.614014 20 562.017151 29 570.968323 20 572.225098 18 582.189392 28 593.926697 18 605.54425 18 623.186523 19 628.38855 18 647.151978 20 655.492737 20 659.175598 18 692.640015 19 785.540405 22 787.01886 20 836.218018 18 884.278687 18 929.557556 20 1048.964966 18 1087.023682 18 1087.347412 21 1170.047485 18 1183.002563 22 END IONS BEGIN IONS FEATURE_ID=268 FEATURELIST_FEATURE_ID=Aligned feature list peak:268 MSLEVEL=2 RTINSECONDS=352.08 PEPMASS=124.00674 FEATURE_MS1_HEIGHT=3.111E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8:1831"] SCANS=268 Num peaks=253 50.772575 18 51.705765 17 52.592777 19 53.328613 32 55.885204 17 57.349407 18 57.452431 22 58.327358 36 60.139774 17 60.553902 20 60.571632 26 60.648682 17 61.879074 18 62.034676 20 64.601974 23 64.622864 18 65.117867 24 65.231834 23 65.314728 23 65.366386 20 66.434883 20 66.735321 18 68.036057 17 68.148178 23 68.406662 22 68.502769 18 68.667389 23 69.678688 20 71.438545 18 71.737152 18 72.161751 25 72.636337 20 72.768105 18 74.347557 20 75.850441 17 78.208351 19 78.955383 38 79.258347 21 79.956863 5961.709961 80.15889 23 80.43866 58 80.629852 23 80.96405 140.492752 81.743362 30 81.891975 36 81.953819 253.664627 82.969925 20 83.641785 20 86.273552 19 86.360626 18 88.163345 22 88.586884 25 91.488327 20 91.767593 20 91.980629 20 92.503258 24 93.376999 18 93.782906 18 94.984489 21 95.338081 41 95.498711 18 95.933746 20 97.172386 34 98.150063 29 98.2295 19 99.336678 18 100.385704 24 101.458374 53 101.917244 23 102.192764 22 103.799438 25 104.099045 50 104.689476 19 105.046097 18 106.981949 154 109.031082 20 109.823219 21 110.477432 17 111.62175 20 116.80397 37 119.565262 20 121.200806 24 123.06263 18 123.146393 37 123.706192 17 124.00663 7845 124.068474 18 124.298218 26 124.704391 18 124.826385 18 124.970924 26 125.008636 288 126.001945 373.092804 126.253311 18 126.848167 31 127.042709 18 127.078491 26 127.419533 20 127.795883 21 128.05426 20 128.641754 18 129.105377 46 129.863373 61 130.652084 18 134.244034 25 135.147614 18 137.372971 19 137.622559 18 141.686844 20 143.307465 17 144.834305 25 147.020798 18 147.559158 22 148.297836 18 149.031219 35 149.359512 29 152.061005 20 152.970062 20 155.536835 20 155.745377 72 156.131424 18 161.046753 36 164.320831 20 165.038223 22 166.095001 54 167.372009 18 169.635635 17 169.733063 26 170.535156 17 170.753708 20 174.400177 24 175.70929 17 176.859192 19 179.223816 20 181.493729 18 181.508957 18 188.455383 18 188.536926 22 193.778351 18 196.084793 18 198.04895 25 200.766632 20 201.957184 24 203.852859 17 204.111633 18 214.575699 21 214.975693 22 217.433121 19 221.122711 23 227.659119 20 229.503494 17 230.775848 18 231.217056 18 231.981674 20 237.182861 23 239.565521 18 240.694336 25 245.774078 40 249.017853 65 250.017822 19 250.883286 24 254.261322 21 260.150604 20 264.547424 32 267.794586 24 268.484467 18 271.010162 48 271.88974 22 272.91217 18 273.000946 18 273.070099 67 274.420441 27 278.484009 23 279.667999 22 288.915558 18 296.152618 18 296.243317 20 298.234589 18 298.332001 20 301.298889 18 301.338562 18 301.874786 18 302.762817 18 304.344025 42 305.538574 20 306.914948 21 332.883911 19 336.12973 18 336.266663 22 341.036285 28 352.460724 18 357.152374 42 362.597046 18 365.43631 18 369.319275 18 379.966248 17 380.479431 18 382.11026 20 383.770691 32 384.035797 18 387.960083 23 397.522461 18 414.423584 18 418.207001 17 431.395966 18 433.023804 19 445.343323 19 447.500214 17 461.657318 22 465.658813 20 466.116333 27 480.682678 28 485.231537 17 499.047333 19 515.133301 18.999998 543.020569 20 544.541504 22 564.989807 23 566.998108 20 570.904358 18 606.636169 33 668.524475 22 685.268005 18 690.020935 21 695.055603 18 707.254517 23 713.981323 38 784.724121 17 794.006836 20 803.057678 21 806.946411 18 815.002869 20 817.017456 22 898.092285 17 977.990845 34 984.019348 20 1000.098755 18 1007.961853 22 1065.036011 20 1073.612061 18 1083.416138 18 1110.937012 18 1117.956421 18 1127.565552 24 1137.006836 26 1144.942993 18 1149.101929 18 1150.532471 18 1162.008423 19 1183.031738 41 1187.602539 20 1189.97229 20 1194.537964 26 END IONS BEGIN IONS FEATURE_ID=269 FEATURELIST_FEATURE_ID=Aligned feature list peak:269 MSLEVEL=2 RTINSECONDS=352.12 PEPMASS=466.12331 CHARGE=-1 FEATURE_MS1_HEIGHT=2.213E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8:1996"] SCANS=269 Num peaks=224 50.432392 38 51.233154 51 52.752728 18 53.115025 17 56.43264 25 57.371403 31 59.616344 21 60.043232 20 64.015968 18 64.455498 18 66.198914 20 66.401367 25 67.280472 19 69.82885 23 70.162422 22 71.447746 18 72.096794 28 74.283997 22 74.918633 19 76.059166 17 76.202805 18 76.66687 18 78.094482 18 79.945045 36 79.957642 328.617188 80.570145 17 80.655502 19 81.04834 19 81.399902 17 81.865364 18 81.951691 20 82.081345 17 82.232094 18 82.687889 20 84.925102 22 85.777206 34 88.937378 18 90.249336 39 94.059593 18 94.527176 20 95.204613 17 99.004585 20 99.64045 18 100.050522 18 100.527023 26 105.259178 18 106.979523 37 107.986809 33 108.983109 18 111.27092 17 118.047829 38 119.09256 18 120.763725 27 121.313797 17 121.644379 19 122.185959 18 122.215103 22 122.261757 23 123.188087 18 124.006851 28296.765625 124.059006 72 124.074722 44 124.125633 17 124.147301 18 124.323792 18 124.349167 34 124.505074 20 124.516235 20 124.598701 39 124.625168 18 124.653473 38 124.825325 23 124.86396 20 124.966942 35 125.00988 1127 125.035187 18 125.102165 18 126.003113 1379.07312 126.303009 21 126.328995 18 127.012009 18 127.788033 17 129.843872 18 129.975937 25 130.423248 27 130.507019 20 131.28331 20 131.360489 18 131.655441 18 132.190384 26 132.372391 18 132.421692 17 135.472275 18 140.147537 26 142.281067 17 143.214066 19 143.63855 18 144.222687 18 144.454285 20 146.961472 18 147.027496 20 153.519928 20 157.170319 20 157.790237 18 157.960327 18 159.454926 18 161.917496 17 163.953018 22 168.299667 17 171.142151 18 172.104813 18 173.543701 20 178.971893 19 180.251205 17 181.966202 17 183.968338 22 184.091599 18 186.039566 50 187.476532 18 191.994659 75 193.99968 20 194.206436 18 195.768585 18 199.603989 20 204.75061 21 208.980698 72 210.31987 18 210.906799 20 213.340469 23 213.801743 20 217.987961 21 220.809204 20 224.247391 18 229.30864 26 239.233566 25 243.943542 25 249.416611 48 254.332275 50 254.761658 18 254.920425 20 260.171539 17 265.047821 18 266.053162 35 267.131989 21 268.913177 18 270.078278 22 271.008148 105 275.195435 22 278.025421 17 279.442566 21 283.815338 21 291.534119 17 291.672699 21 292.047424 18 295.979645 18 300.780853 18 302.246185 29 309.80246 35 310.053497 20 310.961273 22 312.643188 25 323.087738 18 325.185699 20 327.535919 33 328.635498 18 332.007355 18 338.854431 18 354.218567 31 363.032013 28 370.936005 19 377.622406 28 400.755737 17 413.454956 20 423.194122 20 429.04422 18 430.147491 18 431.021698 22 441.238098 17 460.156097 22 466.124847 578 467.133514 118 468.117676 120.999992 469.109589 18 470.14212 20 474.402557 18 480.979095 22 483.040955 19 495.040039 18 509.654449 18 525.179199 18 559.686768 30 564.996399 36 584.152405 20 587.238831 33 667.994568 21 669.03772 18 683.225464 18 683.68219 17 711.975525 18 730.494507 20 769.971313 18 781.063965 17 816.896362 21 841.995728 18 843.476257 18 846.229431 19 860.968262 18 922.606689 20 937.061584 19 974.113586 17 1029.931152 20 1071.904053 21 1074.999512 18 1083.943359 18 1096.582031 19 1104.913086 23.999998 1110.902832 18 1111.949219 20 1137.419067 29.000002 1167.036133 18 1168.039062 21 1170.168457 20 1177.569824 25 1185.497437 20.000002 END IONS BEGIN IONS FEATURE_ID=270 FEATURELIST_FEATURE_ID=Aligned feature list peak:270 MSLEVEL=2 RTINSECONDS=356.47 PEPMASS=118.05015 FEATURE_MS1_HEIGHT=1.01E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8:2206"] SCANS=270 Num peaks=146 50.45293 19 51.797432 35 53.65234 23 54.310265 39 54.950783 18 57.68232 22 58.026047 20 58.999222 18 63.73098 28 65.458183 19 66.241081 20 66.480934 18 67.896439 20 69.109566 22 69.356354 20 71.409996 51 74.022224 74 75.264488 22 75.97364 18 76.97319 17 78.847923 18 79.199219 18 81.643387 18 83.775635 18 84.605118 18 88.039055 527 88.069763 18 89.044472 23 91.064194 18 92.154411 22 93.452309 21 93.770927 18 98.289391 20 99.188873 18 99.926064 41 100.745445 18 101.021324 18 101.829605 18 102.27478 23 103.713989 18 105.526833 34 106.122803 20 107.509003 18 110.937897 18 114.43586 18 116.340088 17 116.926971 114 117.019302 18 118.050446 2257 118.230339 31 119.020271 50 119.053665 40 147.177414 18 150.399506 18 152.518188 18 153.461594 29 154.368622 32 155.732834 21 165.065826 18 167.8078 20 168.182159 22 169.043991 19 170.776566 22 173.232422 18 174.27449 21 174.879013 17 177.055359 19 178.013596 21 183.0233 20 185.219376 18 185.895004 42 186.66539 20 190.260162 18 190.433731 17 192.582474 17 204.636856 22 205.178818 18 206.178238 18 206.625687 43 211.051804 17 212.344559 18 216.324265 20 224.112671 23 226.893768 18 230.996872 19 232.036835 23 234.658157 27 235.03154 20 235.648102 50 237.463547 20 239.793396 18 239.845261 27 240.470398 20 244.33992 18 249.015335 44 257.954407 17 257.99118 20 260.385864 27 270.327545 18 276.303528 18 276.36322 18 283.945099 20 290.605835 18 290.64502 35 299.170471 18 306.111176 23 306.555145 20 312.878296 18 315.766388 19 317.058533 26 320.206665 22 335.409485 28 345.53418 18 351.098877 18 375.389709 18 386.461914 18 387.783234 20 395.887482 18 397.269501 20 406.575562 23 439.931763 22 441.946106 26 443.827454 18 447.573639 20 461.346313 18 467.820709 18 477.68808 25 494.001221 25 511.06546 23 521.031372 18 521.613831 17 534.437866 21 534.809631 20 552.041321 18 601.865417 27 650.203735 18 675.645569 25 702.701416 18 742.720703 18 752.179993 18 829.747498 17 919.957703 28 996.747437 18 1037.597412 17 1131.377319 20 1132.137329 33 END IONS BEGIN IONS FEATURE_ID=271 FEATURELIST_FEATURE_ID=Aligned feature list peak:271 MSLEVEL=2 RTINSECONDS=357.32 PEPMASS=351.06616 FEATURE_MS1_HEIGHT=1.218E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8:1651"] SCANS=271 Num peaks=173 60.028095 20 60.693508 18 61.296883 18 61.988693 17 62.99054 271 63.291504 20 63.425041 18 64.987137 40 65.09153 22 66.336372 24 66.400833 20 67.760193 37 68.05056 17 68.179848 20 68.363014 18 68.706932 18 69.855537 18 72.008041 18 73.014679 18 73.813095 19 75.840446 18 77.278282 18 78.227509 18 84.191086 20 84.498657 18 86.915359 38 94.391823 17 96.978622 22 98.607353 17 98.856628 18 98.965851 20 100.040733 615 100.281914 22 101.021027 18 101.044754 61 102.043419 20 102.72506 19 104.437393 23 105.57193 18 105.838531 21 106.500244 20 109.386528 18 109.901726 24 110.376419 18 110.692177 23 112.191574 18 113.539177 19 113.944801 19 114.453697 19 114.807358 25 115.94101 28 117.657928 17 119.903519 18 120.357635 17 122.02607 18 127.515358 18 129.97438 21 138.468887 20 139.945358 20 141.936691 17 142.03125 18 143.933685 18 145.406342 19 145.600891 22 149.015457 67 149.098877 22 154.410187 27 155.962708 22 157.96579 20 159.927582 18 162.52449 22 164.038956 4843.922363 164.192566 31 165.042068 513 165.72438 19 165.962296 18 166.037781 321.573914 167.04303 69 168.946487 22 175.730606 18 176.719055 17 177.453323 19 179.075821 19 179.111465 18 186.730621 29 186.969299 20 192.024857 18 192.129898 19 196.982605 18 199.960602 50 201.255081 20 202.409317 18 206.365265 21 207.370178 23 224.043198 22 225.687927 20 226.034302 25 230.628418 22 232.034195 18 242.358658 20 245.961227 22 248.953537 18 249.014755 81 255.483856 19 260.048096 77 260.973602 65 261.986664 36 265.144592 42 267.144592 32 268.213409 20 272.055206 18 277.127655 18 278.013092 20 279.288483 22 287.069519 135 289.053741 20 297.024048 43 298.185852 25 300.278076 25 301.883118 18 304.972351 128 305.016418 31 305.080261 28 306.96051 55 307.961426 35 308.344421 18 319.792725 31 325.365936 30 329.28299 18 335.424988 24 338.96106 21 344.492737 17 345.951355 17 349.994781 39 350.088898 17 350.218933 18 350.975403 18 351.065247 400 351.240814 40 352.077423 18 353.085754 27 353.146362 19 354.062042 18 357.844727 17 367.185394 18 376.984131 18 386.082092 30 387.12793 21 388.039307 19 390.187195 20 392.74176 18 449.630859 18 452.289062 55 453.888611 18 458.002777 19 472.238281 18 476.465637 22 484.445343 20 487.679718 22 507.712189 27 548.049438 35 592.865784 20 624.959961 22 663.948547 19 772.73999 24 815.132263 22 897.304993 34 991.178833 18 1014.956421 17 1042.864258 20 1066.983643 17 1140.222778 18 1170.528564 20 END IONS BEGIN IONS FEATURE_ID=272 FEATURELIST_FEATURE_ID=Aligned feature list peak:272 MSLEVEL=2 RTINSECONDS=359.15 PEPMASS=164.0381 CHARGE=-1 FEATURE_MS1_HEIGHT=3.658E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8:1783"] SCANS=272 Num peaks=578 50.105286 23 50.337074 43 50.480904 26 50.675385 22 50.809055 18 51.093616 18 51.099781 19.862827 51.629601 27 51.663319 18 51.899529 18 52.20298 19 52.353268 30 52.593285 35 53.785507 18 54.147984 20 54.244781 17 54.392342 20 55.000763 40 55.415688 19 55.67366 18 56.984077 18 57.08606 19 57.849892 30 58.070049 19 59.070107 20 59.457954 24 59.694763 27 60.02523 21 60.120739 18 60.242374 20 60.272423 20 60.389381 24 60.567593 20 60.888992 18 61.122696 18 61.183243 22 61.685463 18 61.986607 18 62.13483 18 62.221432 23 62.490105 52 62.646511 18 62.838161 18 62.934486 30 62.990471 1913 63.303539 20 63.987621 20 63.997471 30.348782 64.245438 25 64.399551 18 64.535141 18 64.985466 57 65.991257 18 66.068497 20 66.868896 20 67.323853 23 67.456932 19 67.747993 18 68.011528 27 68.277954 18 68.461662 20 68.737511 17 68.819191 30 68.946426 18 69.181725 21 69.360497 23 70.032654 28 70.559845 18 70.870735 26.000002 70.993256 37 71.155533 18 71.322594 20 71.521492 28 71.812981 22 72.009048 83 72.261215 46 73.007683 25 73.016518 48.601044 73.094772 21 74.157219 20 74.447243 25 74.733215 18 74.994209 26 76.677452 26 76.986092 17 77.149307 19 77.680725 22 77.828362 18 78.823967 18 79.250977 38 79.957512 36 79.987068 30 80.526199 19 81.33004 21 81.628136 23 81.762001 24 82.025261 20 83.826164 24 83.915482 17 84.090561 18 84.582802 18 84.826569 21 85.201881 23 85.836479 18 85.932823 19 87.22995 19 87.447746 21 87.645378 18 87.978462 25 90.067947 29 90.349701 18 91.753395 38 92.999039 18 93.881157 18 94.890129 18 95.885651 17 96.079613 18 96.129532 18 97.861328 18 98.022995 46 98.62442 18 98.776085 18 98.788811 26 99.451439 17 99.77066 19 100.039879 2204.896973 100.380333 20 101.043251 77 102.005112 18 102.044548 57 103.068535 21 103.578247 18 105.377388 18 105.676521 19 107.111526 20 110.221603 19 110.551186 18 111.061516 18 111.449142 46 111.774101 44 112.038109 20 113.431549 26 113.62429 18 114.212105 17 114.98777 101 117.195305 18 117.592941 24 118.050499 18 118.858032 18 119.01001 28 119.858383 22 119.906837 39 119.945961 68 120.809021 18 121.030632 28 122.814705 17 124.700531 24 127.045631 18 127.0933 18 128.999359 18 129.748978 22 130.001877 17 130.509399 18 132.010666 18 132.068512 19 132.556961 20 133.507339 20 140.357803 18 142.064484 18 145.821793 18 146.044998 22 148.280991 30 148.670837 36 149.014435 834 150.997986 27.442125 151.015289 66.557877 152.012039 21 153.047043 23 155.236557 26 155.879654 20 156.603607 17 157.70462 18 157.993881 19 158.094589 18 159.629333 18 159.807343 20 160.410812 17 160.731964 19 162.841049 22 162.896149 18 163.074524 17 163.416443 22 164.037933 3563.999756 164.604736 18 164.844727 22 164.891937 19 165.041245 200 165.2276 20 165.981247 22 166.035812 168 166.056061 114 166.57518 18 167.0345 20 167.489471 18 168.990082 26 169.928726 19 170.869583 22 171.723328 32 172.471909 17 175.497894 20 175.792953 23 175.980881 19 177.076859 18 177.669739 24 178.230499 22 178.348358 28 180.650284 18 181.101578 18 181.638657 18 182.95401 18 183.779984 27.999998 186.852081 21 191.802246 22 192.454437 28 192.736191 18 192.803131 20 193.845093 24 193.879654 17 195.374237 21 198.180298 18 198.679855 22 203.390366 20 204.768723 47 204.975525 21 210.928894 19 211.566925 20 212.508438 22 213.850632 30 214.721176 19 217.432144 17 218.237488 26 220.532379 25 221.997574 208 222.236618 18 223.000595 18 223.995117 43 226.915329 20 227.03157 18 228.866669 28 230.763824 23 231.330597 23 232.027954 44 232.814178 22 232.926025 20 233.186218 19 234.8237 49 237.320343 20 240.741714 19 244.569366 35 245.721512 19 249.020279 39 249.790436 18 253.488937 22 257.782684 18 260.405701 18 260.471893 17 261.895966 23 263.494873 18 264.481812 26 264.969116 27 268.233398 17 270.36499 43 270.809845 18 271.013824 30 271.725403 20 275.076416 23 276.022217 25 276.062439 20 278.832733 24 279.606049 17 282.795929 20 285.012268 17 288.90152 23 289.152069 17 289.454163 18 289.983276 33 290.902618 19 291.91156 19 299.153625 20 301.613556 18 308.344269 24 313.312622 17 316.929871 38.000004 318.909973 18 326.756042 18 327.114471 20 329.45401 18 330.522583 21 330.995453 21 335.934387 35 338.646637 18 345.831848 18 349.929443 19 351.067444 382 351.117096 19 351.387512 22 352.073486 43 352.64917 17 353.054443 18 353.080017 37 353.901337 18 354.031311 52 354.065643 38 357.582825 18 362.831055 19 365.978302 18 369.297699 25.999998 371.171204 22 371.861847 20 377.086548 20 382.929779 18 405.005096 18 409.024902 20 411.031708 25 413.194885 26 413.850616 18 417.740509 19 417.962921 47 418.971649 71 419.06424 19 420.037292 31 420.721008 20 422.970581 43 432.924622 30.999998 449.420074 18 450.368408 18 452.789856 19 453.266663 19 462.450531 19 466.980957 17 469.937531 25 471.285706 18 471.935547 20 478.996918 20 489.997131 17 492.985504 20 498.211761 25 498.694794 19 502.045807 18 506.963684 26 512.081238 23 515.217407 21 518.19635 17 521.071716 18 532.051941 18 532.661255 24 534.974915 25 538.09552 55 541.042358 18 543.333435 18 546.00354 20 550.936768 19 550.9729 19 551.971924 17 553.117676 18 554.917908 18 561.996643 20 564.880249 20 567.128052 44 569.922668 18 570.04364 20 577.140015 17 585.006104 17 587.7276 19 594.145081 24 596.05072 18 600.053772 24 607.075684 21 609.929749 22 614.036621 20 619.167664 21 621.97052 22 623.073547 19 628.931763 18 635.094788 18 639.514526 17 645.891846 30 648.466553 20 653.049866 20 654.008301 41 655.440796 21 664.057129 18 664.280334 24 666.867981 21 671.936462 18 674.97229 19 683.128235 21 695.108337 20 696.210388 17 701.988647 22 711.084778 24 711.966309 54 714.923645 21 715.960571 22 716.066772 20 721.226624 20 726.123352 18 727.138916 20 729.030945 18 729.490723 23 734.11792 17 738.270569 20 741.099731 17 742.090637 20 743.933044 20 745.157288 23 751.129272 17 753.016296 18 755.176758 29 760.999451 18 768.268982 18 773.033447 17 773.924805 25 780.491394 17 783.073669 18 784.079468 18 785.090271 65 786.296753 18 794.046997 18 796.022217 18 799.938477 18 811.166016 17 812.235962 36 814.167542 26 815.03949 21 817.982178 26 824.878235 18 828.010254 19 842.762146 20 846.050781 20 850.978027 18 851.060974 17 854.009583 17 855.963196 18 860.1203 18 861.02063 23 864.025635 18 868.073975 20 875.127319 24 878.133789 18 883.25 23 886.249084 18 887.846802 28.999998 887.958374 18 889.010376 18 889.964111 27 899.016907 20 901.004639 35 909.026306 21.999998 912.132568 18 913.152649 41 915.1427 25 918.963745 18 923.111877 27 926.063049 23 928.112427 20 929.120972 21 932.19873 18 933.021118 20 938.859375 24 940.945923 18 952.044189 21 953.255371 18 960.112061 18 963.174316 22 964.634766 20 966.905762 21 967.948059 17 970.118164 36 972.089539 55 973.116211 18 974.987488 20 975.090881 23 976.129883 18 977.989868 18 984.267822 19 985.082764 18 986.075317 18 986.1698 24 992.971191 19 995.202148 19 995.512817 22 997.877747 17 999.085754 24 999.14624 17 1001.056335 20 1003.024048 31 1004.930298 27 1013.953308 20 1021.038208 18 1022.973816 20 1025.017944 24 1028.82251 18 1029.994385 17 1031.075806 18 1032.67688 26 1033.044067 18 1036.932129 33 1038.162231 24 1039.074463 19 1040.089478 30 1040.979248 22 1041.083618 18 1041.932495 18 1042.505981 18 1049.06958 18 1050.045898 22 1052.044312 19 1054.048462 18 1055.087891 34 1056.07666 57 1058.840942 22 1058.990356 18 1059.958618 20 1074.598755 34 1077.151367 17 1077.970093 27 1079.893921 32 1088.165161 28 1090.009766 18 1090.072632 35 1099.227295 27.999998 1100.215576 20 1102.143188 20 1102.517212 20 1106.078735 42 1106.94043 18 1107.244141 20 1107.890625 21 1108.521484 24 1108.955322 18 1112.039551 18 1113.049927 33 1114.109131 18 1115.03894 39 1117.047241 20 1117.156616 23 1118.082642 20 1119.465332 20 1120.053345 18 1124.036865 76 1127.908569 18 1128.828491 17 1138.002686 18 1140.409424 19 1144.95752 22 1149.919312 31 1151.953369 18 1152.032471 25 1153.958984 21 1154.603271 25 1156.949707 22 1158.130737 35 1163.96936 46 1167.125488 18 1167.92749 20 1168.062012 25 1171.012451 57 1172.087036 80 1173.128174 18 1173.612427 20 1178.53418 29 1180.369995 33 1182.049683 20 1183.082397 21 1184.017578 22 1188.961182 17 1198.969727 24 END IONS BEGIN IONS FEATURE_ID=273 FEATURELIST_FEATURE_ID=Aligned feature list peak:273 MSLEVEL=2 RTINSECONDS=360.36 PEPMASS=347.07439 CHARGE=-1 FEATURE_MS1_HEIGHT=5.087E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:2245"] SCANS=273 Num peaks=388 50.210831 27 50.254646 18 51.32634 24 52.186432 22 52.929768 21 53.452408 18 53.757431 22 54.313499 18 55.239784 27 55.434895 18 55.527821 20 56.558395 19 57.032635 18 59.013668 265 59.213707 33 59.910812 31 60.018944 27 60.247551 20 60.292976 17 61.479702 25 62.101547 18 63.11977 24 65.846535 19 68.571541 22 71.014221 605.99646 71.431747 22 71.565109 17 71.941078 27 72.019333 31 72.446579 25.000002 72.994049 25 73.02829 108 73.160568 18 73.468781 18 74.037315 59 75.007912 25 77.064873 20 81.090691 37 81.226883 20 81.692902 27 81.705688 19 82.106514 21 82.243988 17 83.008217 41 83.385872 18 83.473152 20 84.025856 46 85.031853 112 86.438454 18 88.043037 20 89.023628 1185 89.474335 20 90.026917 18 91.415604 19 92.964119 22 93.869827 51 94.917595 18 95.010223 22 95.153313 30 95.393143 19 95.992325 20 96.427536 25 96.958755 32 97.97879 24 98.493103 25 99.006996 62 99.924316 18 100.040466 18 100.913734 19 101.024246 691 101.737709 18 102.026276 18 103.005402 20 103.146965 27 105.018318 36 105.550041 24 105.870102 28 108.407249 25 111.007355 47 113.023232 353 114.017593 109 114.050789 20 114.829872 29 114.998878 21 115.416443 27 115.813004 28 118.052917 20 118.66114 26 119.036522 198 119.901138 18 120.994667 18 124.906075 18 125.021553 36 125.411903 25 126.090233 30 126.247177 18 126.860321 18 126.903923 20 128.032745 18 128.317505 27 128.539154 22 129.038391 22 129.057632 35 131.034653 724.60144 131.692429 18 131.875473 17 132.016342 21 132.03421 163 133.20961 23 135.044037 29 135.096863 24 136.580566 18 136.782364 18 136.985138 20 140.0168 33 141.009384 18 141.024017 37 141.064133 20 141.744156 21 141.934769 18 142.044983 37 142.085678 18 142.176163 17 142.354446 18 143.035767 49 144.880859 43 144.959885 26 144.998077 22 145.019135 17 145.048096 41 145.998795 20 146.963028 17 147.040894 18 147.360443 26 149.021118 18 149.045319 2701.627197 150.048782 87 150.181641 30 150.96553 18 150.97847 20 151.011673 19 151.043549 72 151.0634 51 152.047592 18 152.068268 17 152.352676 18 152.884109 18 154.064545 25 154.692307 23 154.909622 20 155.034515 21 155.04776 21 155.407288 37 155.98732 24 158.035355 39.724651 158.048874 18 158.875366 19 159.083786 18 160.041061 28 161.041718 132 161.89119 18 162.91684 43 163.050201 36 164.057388 19 165.044693 25 167.123322 17 168.030914 58.000004 168.755966 22 169.016556 24 169.062714 63.358665 171.023254 17 171.502258 18 172.077225 35 173.05014 17 173.226074 22 174.040878 40 174.726028 35 174.858673 118 175.025238 30 175.061569 24 176.02388 20 176.86145 87 176.910904 20 177.049118 20 178.469681 19 178.877167 22 178.90155 18 179.052719 197 180.059296 18 181.024384 18 181.072235 63 182.039627 18 182.057495 19 182.785797 24 183.02861 18 183.325134 20 185.058487 85 186.039276 17 186.126053 17 186.664124 23 187.021225 18 191.054108 406.917633 191.100708 22 192.052094 38 193.028687 19 194.679657 20 194.894394 18 194.908936 26 194.952377 40 195.040054 20 195.09967 18 195.941681 18 197.048508 24 199.034164 22 199.068832 24 199.14772 25 202.046677 41 202.182266 22 203.019333 26 205.528015 20 206.036026 19 208.076096 40 209.134216 24 209.419556 25 211.059982 25 211.893433 25 213.048706 37 214.07579 30 215.019577 17 216.056671 18 217.050308 22 218.065796 17 219.051697 22 219.070251 17 220.664642 25 221.067978 200 222.079453 18 223.039444 22 223.110153 23 224.924591 28 226.91983 29 227.024719 17 227.094147 20 227.118393 20 228.922409 31 229.046722 22 230.061478 18 231.049606 41 232.973618 18 233.021271 21 233.095474 19 234.040619 18 234.856689 28 239.072876 19 241.076233 24 241.124268 37 244.097137 29 245.085388 34 246.588623 21 249.114212 18 250.053162 18 250.980911 49 251.073364 138 254.414703 20 254.860565 20 255.06308 17 255.136047 17 256.091278 18 256.885254 20 257.893921 20 258.970734 23 260.921265 49 261.08606 22 261.806519 22 266.119781 20 266.159058 20 269.045288 18 274.882263 27 274.995056 18 275.045746 68 275.073883 44 276.838013 20 281.090912 124 282.095551 43 285.077759 18 288.086334 44 290.983551 20 292.634583 18 292.892609 19 293.056396 19 293.092438 114 293.848145 18 294.061584 30 296.868866 22 300.833466 17 301.917786 20 302.042023 18 302.965149 20 303.104218 19 305.162506 18 305.386169 46 310.959778 30 311.097382 375 312.105011 26 313.118317 482.167633 313.954956 29 314.112366 55 314.94635 19 321.071594 18 329.082214 18 335.021088 20 346.058014 24 346.164276 18 347.07431 5662 347.153076 75 347.364105 20 347.987213 18 348.079712 577.275574 349.015961 20 349.073151 2063.710449 349.180481 24 349.456726 17 350.077454 184.975861 350.103027 94.024139 351.077576 17 353.311005 20 354.877075 18 359.825287 17 361.075165 26 363.903717 17 365.87027 20 367.128754 19 371.096893 23 375.103088 17 377.075378 39 379.082397 36 380.083191 21 392.76123 34 453.525085 24 457.192932 26 485.423737 18 495.178741 19 501.137787 18 519.287415 19 551.16803 19 558.157959 31 573.209473 20 578.565979 20 585.76001 20 587.143921 21 609.145508 18 662.523254 18 711.147339 18 717.66333 17 752.311768 22 755.260864 28 759.760559 21 802.123352 20 820.866394 18 826.335083 18 828.503479 19 836.227417 20 838.143921 18 847.832397 18 852.698181 23 870.0755 19 901.108643 22 919.03656 18 922.540161 20 984.051025 18 993.452637 20 998.540894 23 999.325073 20 1031.67041 20 1038.429932 24 1048.005005 21 1052.67688 28 1064.00647 31.000002 1070.46106 22 1079.433716 22 1102.171265 36 1105.8302 20 1111.335449 20 1120.560181 18 1126.435059 18 1143.625732 18 1168.096436 18 1198.004517 18 END IONS BEGIN IONS FEATURE_ID=274 FEATURELIST_FEATURE_ID=Aligned feature list peak:274 MSLEVEL=2 RTINSECONDS=360.95 PEPMASS=223.04523 FEATURE_MS1_HEIGHT=8.466E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8:2228"] SCANS=274 Num peaks=131 55.016666 18 57.03484 124 59.012878 218 59.737717 18 64.258865 19 69.000031 17 69.035294 30 69.95372 30 70.308487 18 71.015266 260.309235 72.993309 40 75.007751 547 75.195267 19 76.00766 31 76.179413 21 78.956551 17 79.030785 18 82.030426 41 83.00798 18 85.029152 725 86.035454 20 86.909157 18 87.007439 277 87.917313 460 88.523972 28 88.922485 212.111786 89.024902 136 89.917206 310 90.924431 126 91.921036 44 96.956367 20 97.028656 37 98.030869 21 99.009224 554 99.037102 19 101.023582 105 102.025093 36 102.905136 63 103.913597 144 104.913963 57 105.909241 109 106.29155 17 106.91291 20 108.237572 18 111.006813 17 113.023125 18 115.035339 42 117.022491 24 118.725014 17 119.4879 18 119.907654 290 121.902885 106 127.181145 18 129.018921 795 130.02124 38 130.34021 24 130.898849 88 131.019028 37 131.907013 1152.455933 131.991699 17 132.913239 943.640137 133.906647 705 134.525879 18 134.859344 20 134.913239 451 135.911942 103.997169 137.074844 19 137.869934 18 138.094193 27 139.000137 21.583717 139.014847 49.416283 141.020523 122 146.898224 17 147.901306 888 148.90036 191 149.896332 240 151.065353 25 159.028 174 164.037704 46 166.047852 20 166.866821 101 166.981247 32 167.013275 19 167.872025 26 167.983856 18 168.022614 18 168.865112 91 169.858322 18 175.898529 18 176.025772 37 176.905212 419.663513 176.938354 17 177.040115 1330.153564 177.570114 20 177.911392 318.748901 178.042404 126 178.832642 18 178.902008 451.522858 179.042847 39 179.909958 94 180.90448 20 181.016602 20 182.046112 20 184.88324 31 186.108139 18 187.024338 55 187.104309 18 195.05159 228 196.060501 64 199.43956 20 202.771729 18 203.831848 197 203.869736 22 205.824844 20 206.975983 62 207.042801 18 208.951813 25 222.745239 20 223.042603 476 223.83905 20 224.046646 35 233.76619 24 244.560532 24 260.878784 26 313.59375 18 316.457031 18 359.083344 20 460.295532 18 562.072205 17 657.265137 18 716.408081 18 END IONS BEGIN IONS FEATURE_ID=275 FEATURELIST_FEATURE_ID=Aligned feature list peak:275 MSLEVEL=2 RTINSECONDS=360.96 PEPMASS=147.02955 FEATURE_MS1_HEIGHT=6.174E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:2258"] SCANS=275 Num peaks=59 55.018997 43 57.033649 71 59.013474 127 71.00927 17 73.031975 17 73.736443 22 75.007492 40 76.970047 22 77.04187 24 80.024704 19 81.034454 45 82.028343 18 83.011612 37 84.0196 21 84.647629 20 85.028511 959 86.024414 20 92.047516 21 92.928551 18 93.034225 20 95.046669 19 101.023445 297 101.94281 19 102.026276 18 102.93029 22 103.007408 22 103.039955 263 103.911751 20 105.55999 25 107.038185 18 108.021454 43 115.202011 38 118.050529 18 121.019623 22 121.053047 18 122.063255 25 123.047569 42 127.062553 18 128.029892 22 129.018738 1135.840576 130.020844 122.647812 131.038986 59 132.042389 18 134.033936 52 134.108414 19 146.018158 33 146.898956 17 147.03067 272 148.04216 121 149.004929 22 149.045288 98 150.05191 110.049454 162.255386 18 166.873596 27 247.349884 23 305.082184 23 418.64328 20 508.251526 17 787.872559 18 END IONS BEGIN IONS FEATURE_ID=276 FEATURELIST_FEATURE_ID=Aligned feature list peak:276 MSLEVEL=2 RTINSECONDS=360.96 PEPMASS=196.06061 CHARGE=-1 FEATURE_MS1_HEIGHT=3.299E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:2250"] SCANS=276 Num peaks=206 53.982536 18 57.601761 21 59.012005 21 59.965439 31 62.433655 33 65.262764 43 66.031761 20 67.885307 24 67.97818 34 69.373779 18 71.012665 19 72.008537 533 72.989174 19 73.007729 20 74.024094 701 74.589279 23 75.007431 89 75.969376 18 76.18399 41 77.719933 17 78.300186 22 79.058662 24 79.919304 18 80.169891 18 80.664566 27 82.065765 38 84.25618 18 85.680016 18 89.017593 18 89.040253 103.999992 89.265335 18 91.055107 123 92.221405 18 93.03241 69 93.290443 17 94.027054 18 95.050308 29 96.9645 52 99.013275 25 99.922829 23 103.138077 18 103.435768 28 105.416229 18 106.039841 18 107.051445 689 108.02047 60 108.040359 18 108.053543 27 109.027977 1663.588135 109.062836 20 110.033577 184 111.03598 38 113.018768 29 113.068535 22 116.311806 18 116.526367 20 116.925972 27 117.031891 54 117.33548 22 117.388023 18 118.038216 18 118.447029 28 118.885902 18 118.90152 19 119.909073 18 120.906837 17 121.030197 423.965515 121.907639 51 122.03669 3169.304443 122.084763 49 122.909439 18 123.044945 1099 124.050148 67 125.056618 45 127.041344 19 129.017761 18 130.824341 22 133.441788 25 133.583038 17 134.036835 877 134.061493 416.279541 134.195541 30 135.044342 8501.202148 135.067139 46.5369 135.397461 18 135.697083 20 135.893707 37 135.923233 18 136.047836 669 137.026794 18 137.049042 37 139.051575 22 146.082321 18 149.14064 18 150.050522 18 151.034836 18 152.069977 572 152.401382 35 153.065247 50.188076 153.085068 80.851265 153.940491 30 154.9944 19 157.923721 17 158.379501 21 158.847321 95 159.032562 52 159.699173 19 159.755814 20 159.890167 127 160.003052 20 160.84108 14222.322266 160.899994 48 161.010956 18 161.338562 18 161.480545 20 161.592163 18 161.607864 19 161.843765 281 162.156876 18 162.719116 19 162.747437 19 162.838562 12378.567383 163.262451 37 163.336777 18 163.463852 40 163.494553 43 163.837799 259 164.038467 78 164.836716 1794.77771 164.927567 21 165.907562 20 166.265411 18 166.868484 33 166.97908 32 167.20018 21 168.040192 18 169.241257 23 170.387405 18 174.533737 18 174.729736 25 176.893661 244 177.012787 23 177.893921 124 178.05513 34 178.288437 20 178.894882 90 179.034195 2020.919556 180.039825 152 180.861923 20 180.941025 23 182.858582 18 183.200256 20 194.666763 20 194.904556 83 195.048523 244 195.778137 18 195.809784 2096 195.911087 18 196.06012 3143.327393 196.811264 71 197.062637 308.032684 197.806671 3246 198.012238 18 198.064102 21 198.324066 18 199.228073 20 199.805099 804.95636 200.247238 18 201.040314 18 201.901398 25 205.92894 20 214.710999 19 226.665817 18 231.384979 23 232.038498 17 239.078506 17 247.46257 17 247.989044 17 251.603195 20 252.662018 22 253.913025 19 261.618011 20 280.14978 18 298.498108 18 299.071289 19 300.254944 27 309.222473 22 314.735046 51 327.872711 26 337.676239 22 337.719574 18 347.069305 26 351.084625 21 377.082886 26 378.097412 18 408.877106 18 431.186432 21 472.475372 17 538.870239 30 566.266052 19 991.603882 26 1091.750244 20 1123.532837 22 1152.560181 24 1153.72168 21 1156.398438 22 END IONS BEGIN IONS FEATURE_ID=277 FEATURELIST_FEATURE_ID=Aligned feature list peak:277 MSLEVEL=2 RTINSECONDS=361.02 PEPMASS=203.1032 FEATURE_MS1_HEIGHT=1.007E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8:2233"] SCANS=277 Num peaks=145 58.005848 43 58.027237 53 59.010582 51 64.98748 18 70.0336 44 72.044945 164 73.026314 18 78.953705 30.442841 78.962296 18.557159 79.011993 18 81.026764 18 82.028801 18 82.068962 64 84.044304 20 85.030655 42 85.945824 39 86.006042 28 86.060539 18 87.008652 60 89.024948 17 92.052406 19 92.478981 20 93.905006 25 96.044731 36 97.03038 18 97.07576 43 98.058083 87 99.006401 23 99.045357 81 99.095512 22 100.040672 145 101.024185 42 101.939743 20 102.056839 94 103.042854 17 111.042747 18 112.03923 22 113.022346 39 113.941696 200 114.021835 20 114.094994 28 115.038338 24 115.085739 38 116.051392 67 116.06958 35 116.090622 22 117.019302 18 117.049133 20 119.909798 17 123.878372 76 124.07563 110 125.02269 149 125.060387 23.633894 125.076935 67.366104 125.874252 666.648376 126.054924 192 126.075844 18 126.396164 20 126.886665 18 127.938377 17 128.056107 18 128.069443 38 129.099854 21 129.934402 237 130.05452 46 130.93512 23 132.032349 23 139.087326 541.817322 140.074753 18 140.091766 73 141.022705 19 141.067596 22 141.103119 605.811401 142.014374 40 142.106674 49 143.01326 21 143.032959 33 143.080994 117 144.031082 18 145.013794 56 145.067383 20 147.022125 18 155.948303 18 157.095688 39 157.842224 19 157.930084 60 158.001938 27 158.031082 20 158.079575 35 159.064362 18 159.109863 84 159.950989 22 160.04068 362 160.11676 26 160.839157 107 161.039886 43 161.094254 491 161.851166 36 162.083939 22 162.096588 29 164.041779 24 164.836502 459 165.832855 36 166.834869 297 167.086212 17 168.06015 18 168.97963 20 169.014679 50 172.004349 17 173.089035 36 179.05394 18 185.092117 360 186.095764 115 187.020889 20 187.070221 22 188.988876 17 201.0914 20 201.804016 126.965912 202.113007 44 202.785187 46 202.80545 18 203.036926 24 203.103287 1514.530884 203.800476 21 204.035568 20 204.089233 204.763489 204.108643 79.236511 205.006012 18 205.030487 63 205.072845 38 205.837128 17 206.049377 53 206.97023 24 207.010254 27 207.132065 23 218.317245 18 222.810562 18 288.945007 31 308.285553 19 337.86615 25 355.391083 19 380.562012 31.999998 437.919037 18 544.513611 18 720.672302 17 END IONS BEGIN IONS FEATURE_ID=278 FEATURELIST_FEATURE_ID=Aligned feature list peak:278 MSLEVEL=2 RTINSECONDS=361.09 PEPMASS=573.15869 CHARGE=-1 FEATURE_MS1_HEIGHT=3.876E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8:2063"] SCANS=278 Num peaks=226 50.37598 26 52.178944 20 53.03828 51 54.982784 20 55.436954 18 56.247871 22 59.013588 101 61.681339 17 65.633118 37 67.133461 19 68.159515 18 68.166756 17 71.010757 161 72.018814 21 72.784103 51 72.845772 17 72.970428 20 75.485405 18 77.171448 32 78.129456 21 81.652725 20 82.044456 22 87.836754 44 88.365944 19 89.02375 568 90.027733 18 90.057915 24 90.457542 34 91.631836 30 92.928459 62 93.287003 18 94.925804 36 96.915108 97 97.613747 17 100.21006 30 101.02356 306 103.337242 72 105.122635 24 107.028748 20 113.025299 190 113.714554 18 114.090645 20 115.848885 20 118.73156 18 119.034576 529 120.010483 22 120.032707 28 121.066444 40 122.062798 28 125.731674 38 126.02301 17 126.899887 33 129.651398 18 131.033234 135.095428 131.116501 21 133.067825 80 133.726974 20 134.045654 20 134.059769 18 135.047638 24 138.792419 20 139.249863 21 143.033981 196 144.87735 18 145.057526 23 148.60495 25 149.048523 71 149.324051 20 151.286789 24 151.634766 17 152.876953 17 159.071777 18 161.045425 401 161.292831 18 162.047363 19 165.043243 20 167.023148 17 168.475708 22 170.356827 17 172.830658 18 173.092575 27 174.172928 17 177.055771 788 177.214508 18 178.057693 149 179.055435 2011.624146 179.431488 25 179.917343 20 180.059464 73 181.058456 97 184.991119 20 191.003983 18 192.986404 18 201.162888 17 207.04248 21 207.071594 21 210.843781 28 211.005173 39 215.242386 28 219.024857 18 221.915405 18 223.069443 19 233.629105 49 242.196152 35 256.583923 20 256.981171 22 263.523682 18 266.803162 94 268.799438 47 284.769257 17 286.108368 22 287.94754 18 289.284363 28.000002 292.669922 25 301.00061 28 305.985352 41 306.067535 18 306.792145 38 311.183014 18 312.528534 22 313.002136 21 314.78894 18 316.148743 22 320.246094 18 320.818512 18 320.848236 22 324.765564 49 326.759644 19 328.748749 18 346.070435 20 351.466675 24 353.101471 27 357.118958 1061 358.124115 177 377.082886 88 380.085602 18 385.103516 30 386.711578 18 388.071533 18 391.855591 21 397.109558 18 402.686798 18 417.137054 41 419.634186 21 419.861603 18 420.999878 19 424.067139 17 426.9328 25 427.331726 34 428.213013 18 433.071503 28 442.688354 17 446.659485 25 447.154602 57 459.150299 23 471.162415 18 471.888824 18 477.162689 257 490.276672 18.000002 504.623901 17 519.169312 19 521.757874 18 524.064514 18 532.069214 18 536.191162 37 536.263916 17 537.179932 121 538.140198 17 538.17804 23 549.438293 18 556.283142 23 557.256226 18 558.223999 18 558.284729 28 565.641235 22 566.648987 19 570.120178 20 570.271057 18 572.106201 33 572.233093 18 573.158081 7828.009766 573.240234 17 573.295593 35 573.996277 18 574.163513 1708.987915 575.158264 3281 575.264221 17 575.315063 17 576.161804 620.337402 576.308105 18 577.166077 18 577.914978 18 583.12616 20 585.202393 20 629.111023 18 676.505798 18 725.593262 22 748.443665 21 763.267761 27 784.531006 19 785.354431 23 804.369934 18 923.253967 23 929.292603 24 935.437073 25 942.886658 26 986.677734 26 992.182129 43 1007.464478 22 1008.108704 21 1033.161377 23 1041.609741 25 1051.33667 27 1062.116211 17 1087.491577 33 1115.03186 31.000002 1134.050415 17 1142.36438 33 1150.585815 20 1173.229858 18 1181.925293 20 1185.66333 26 1189.766235 23.000002 1192.326172 19 1193.577881 41 1198.91748 25 END IONS BEGIN IONS FEATURE_ID=279 FEATURELIST_FEATURE_ID=Aligned feature list peak:279 MSLEVEL=2 RTINSECONDS=361.10 PEPMASS=153.8683 CHARGE=-1 FEATURE_MS1_HEIGHT=6.204E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8:1804"] SCANS=279 Num peaks=62 54.569313 17 55.110928 21 60.196281 20 62.25423 28 68.125229 18 78.958084 36 79.144798 29.999998 80.742889 58 80.964684 57 83.928932 26 92.927475 23 94.918434 18 96.957092 38 98.020927 37 100.131966 20 109.024025 24 118.899162 178 119.900406 24 120.897217 99 130.860016 23 133.729034 24 138.9496 20 140.844131 29 141.783615 20 143.926132 20 152.064774 19 152.666031 22 152.981659 54 153.024887 37 153.066742 26 153.868866 1517 154.872696 68 155.287994 18 155.865173 1249.472656 156.863571 62 157.861908 25 159.864914 20 175.861069 20 191.041458 23 192.337326 30 204.607422 17 211.600464 21 244.25592 20 263.720764 28 265.358063 17 312.463928 18 322.119537 18 339.710052 26 358.357513 18 360.182556 20 365.899811 37 382.339539 21 430.134033 18 458.234619 37 473.723358 35 504.076508 29 519.798523 18 559.714478 26 564.495361 18 608.179565 19 798.557007 20 859.924561 20 END IONS BEGIN IONS FEATURE_ID=280 FEATURELIST_FEATURE_ID=Aligned feature list peak:280 MSLEVEL=2 RTINSECONDS=361.24 PEPMASS=160.84161 CHARGE=-1 FEATURE_MS1_HEIGHT=1.361E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8:1903"] SCANS=280 Num peaks=71 51.720852 24 54.777206 19 56.048656 23 59.10463 28 62.990257 1367 63.963909 62 65.30088 18 69.034805 18 70.995956 35 71.015221 25 72.009346 25.000002 73.013771 35 73.69046 26 74.989807 18 75.77343 19 77.004745 26 84.472298 32 85.027313 20 98.023155 38 98.566254 18 99.00914 20 99.026962 21 99.925873 17 100.03978 1508.80127 101.049545 20 101.308525 20 101.97213 18 105.161804 19 106.192093 18 108.990967 32 114.816154 18 114.987755 18 117.000023 18 119.90612 17 122.892326 23 125.878479 26 127.86869 41 129.935654 18 131.582245 20 131.875504 21 132.551056 24 140.241013 18 143.031387 20 144.340164 18 146.030029 17 149.015625 571 156.303452 23 158.552017 22 159.844727 75 159.892899 27 160.842346 2765.632324 161.843033 118.511711 161.912979 23 162.838684 3316.748291 163.062958 100 163.84613 67 164.03894 1602 164.836548 130 165.35144 18 195.712509 17 224.410202 18 236.700043 33 239.002197 17 239.148621 53 245.217407 18 353.059052 17 372.024139 22 378.080994 21 489.14212 18 571.964172 18 670.164551 18 END IONS BEGIN IONS FEATURE_ID=281 FEATURELIST_FEATURE_ID=Aligned feature list peak:281 MSLEVEL=2 RTINSECONDS=361.48 PEPMASS=162.8388 CHARGE=-1 FEATURE_MS1_HEIGHT=1.391E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8:1823"] SCANS=281 Num peaks=122 54.726421 20 55.008011 25 61.209866 19 62.990086 387 63.040844 22 63.144169 18 63.989468 19 64.390984 18 65.174217 26 66.637581 18 66.951248 28 67.03196 21 67.762489 18 70.992569 20 72.283226 26 72.643196 20 72.990601 18 73.010841 24 73.274902 18 74.955292 19 75.009819 34 77.037796 18 77.866646 18 79.499001 23 79.956528 54 80.740677 20 80.879555 27 86.64621 24 89.558311 31 89.928864 20 91.017166 22 91.620422 21 91.82872 18 93.566696 18 96.055473 18 98.022491 18 98.358437 19 99.0065 20 99.942764 18 100.040451 441 100.699898 22 101.043823 48 103.922493 26 105.020905 18 106.054871 20 106.280861 17 114.990837 41 115.925247 20 116.771042 20 117.055161 24 118.98262 20 119.907623 101 121.030624 17 121.065247 29 121.862061 18 121.87619 17 122.418106 46 122.885277 17 124.853889 20 127.867271 22 127.958031 21 129.09227 22 129.867096 106 135.754028 20 139.462601 18 140.532333 20 144.419907 26 147.888657 18 149.019409 107.891525 153.855621 18 155.802444 30 156.570801 28 157.092834 31 161.782654 24 161.844559 81 161.942078 20 162.839203 2586.402832 162.928528 22 163.002533 17 163.738647 18 163.842087 58 164.038956 854.581604 164.836914 1112 165.038254 38 165.844254 18 165.894028 18 166.03157 18 166.061417 18 166.15889 19 166.833832 93 167.111496 18 167.19751 18 167.660385 17 178.354721 24 178.412064 27 179.344376 27 183.421768 38 191.732925 25 207.295135 20 214.252274 22 256.390381 18 279.200226 27 290.350525 17 291.42334 18 351.075531 18 367.702393 22 372.887634 25 374.400391 22 378.098938 18 398.811859 19 404.102173 22 472.013519 28.999998 569.120605 24 730.138367 21 747.269409 18 913.307007 18 945.802551 18 1017.939331 30 1022.927856 20 1059.390503 26 1160.493774 18 1193.139893 25 END IONS BEGIN IONS FEATURE_ID=282 FEATURELIST_FEATURE_ID=Aligned feature list peak:282 MSLEVEL=2 RTINSECONDS=361.56 PEPMASS=567.13286 CHARGE=-1 FEATURE_MS1_HEIGHT=2.031E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8:1797"] SCANS=282 Num peaks=161 55.018333 38 58.042561 24 59.01413 271 71.013092 243 72.124855 18 73.02684 24 75.009972 27 85.025681 17 87.008629 139 89.024155 679 89.336273 18 90.026329 18 90.885406 17 92.929214 36 93.135612 31 94.922997 17 97.030685 164 101.024277 430 102.022247 18 102.981125 20 103.041763 22 107.037369 24 107.114998 29 113.024155 382 114.025909 41 115.037857 54 117.017639 21 119.035843 468 122.946617 23 125.022079 61 128.036972 18 128.136642 18 131.033356 118 132.041168 21 133.530273 35 135.030243 67 137.039459 17 140.6987 34 143.036362 318 143.936478 17 144.037994 62 146.96788 19 147.18457 18 149.012802 18 149.042969 101 149.636429 18 150.042709 18 151.031815 28 158.988113 19 159.025223 20 161.004715 29 161.045334 1526.653076 162.045197 90 162.603546 22 164.038544 17 165.054916 17 176.389435 18 179.055618 1996.544556 179.097672 18 180.030701 18 180.058701 87.078232 185.049591 22 189.039337 153 195.009689 17 207.05188 617 208.045761 74 220.712601 20 221.067795 675 222.072037 57 223.066055 18 223.99617 69 234.861862 18 236.189209 18 245.070709 24 247.679382 26 249.062531 130 250.053696 18 251.074432 64 262.879974 18 263.074127 76 263.640259 22 264.079987 33 266.63382 18 266.801575 18 270.787567 19 272.785187 28 276.373322 41 279.072845 18 280.076172 18 281.087769 117 282.090759 17 288.064484 17 291.072937 37 297.084717 17 309.082642 188 309.249695 18 312.855774 20 321.075592 17 323.098083 581.017578 324.096283 129 325.09906 41 341.107635 499 342.118011 19 345.101501 17 349.138977 20 351.102997 26 365.109711 18 369.102509 408 377.088287 30 383.119751 1487 384.12207 155 384.313446 20 385.126556 44 407.119598 115 408.118896 17 409.11438 36 411.115845 305 412.126465 75 413.112457 18 417.27536 20 425.12262 106 425.320007 26 452.028076 29 453.128998 456 454.128601 85 455.122681 17 471.129456 43 471.168701 17 472.135864 20 479.242249 19 485.154846 56 496.837341 18 503.160004 4461.340332 504.160767 579 505.030212 18 505.169281 190 506.179718 18 510.215546 27 515.347412 18 519.076172 22 529.15863 18 531.147888 21 531.17688 20 533.15094 31 558.685059 24 565.303284 21 565.782654 18 566.322937 21 567.13208 4652.788086 567.252808 25 568.13916 1168 568.72345 23 569.129578 1774.84082 569.340393 18 569.943665 18 570.130493 308 570.213989 77 571.130981 18 635.277649 28 697.701721 18 843.729797 18 END IONS BEGIN IONS FEATURE_ID=283 FEATURELIST_FEATURE_ID=Aligned feature list peak:283 MSLEVEL=2 RTINSECONDS=361.71 PEPMASS=164.83652 CHARGE=-1 FEATURE_MS1_HEIGHT=6.301E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8:1788"] SCANS=283 Num peaks=46 62.991962 67 70.997711 25 84.318901 25 92.048958 20 93.037308 20 100.039627 74 101.037819 23 111.104912 21 114.992645 21 117.920692 21 119.909599 43 127.873367 35 132.866379 40 134.640152 18 147.01268 18 149.010315 60 154.95137 21 163.833588 18 163.849701 19 163.890015 18 164.037216 58 164.837753 455 166.058746 51 166.83519 49 186.012512 18 190.041687 21 208.533981 47 212.169678 21 263.255951 25 267.516632 18 283.729736 23 284.896362 26 294.501434 20 298.593048 39 326.935364 21 329.798248 18 368.878723 30 369.415222 18 399.91748 17 514.382629 22 537.740479 24 550.249939 18 566.771301 20 591.5495 19 652.168884 24 698.749573 19 END IONS BEGIN IONS FEATURE_ID=284 FEATURELIST_FEATURE_ID=Aligned feature list peak:284 MSLEVEL=2 RTINSECONDS=361.83 PEPMASS=341.10808 CHARGE=-1 FEATURE_MS1_HEIGHT=2.278E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8:1996"] SCANS=284 Num peaks=216 50.691135 22 51.563297 23 53.420914 19 56.246529 44 59.013939 298 59.477848 23 60.890507 26 61.633755 19 62.697124 20 64.847694 29 65.557526 18 67.924408 18 68.399086 17 68.812965 21 69.979164 20 71.012688 274 71.092041 35 72.084671 21 72.902885 18 74.101761 20 75.299706 19 82.987206 18 83.01162 39 84.054108 24 84.850258 19 85.030365 45 86.432991 18 88.986923 26 89.023926 613 89.268188 18 90.025986 39 90.479706 18 91.027763 18 92.101669 18 92.924309 58 93.680138 47 94.917816 18 94.927345 28 99.00425 26 101.022728 294 102.030083 21 102.967491 21 104.761307 22 104.796532 31 107.051468 41 109.016403 21 109.028969 18 109.744766 34 113.024025 307 113.549683 22 114.027229 25 114.954514 25 115.035118 18 117.682373 28 119.034409 237 119.226036 18 121.982498 20 124.804039 30 125.880005 28 126.258217 24 126.912941 24 129.428024 35 131.037506 78 132.907104 17 136.706696 18 137.869644 18 138.880371 20 139.675827 25 140.874603 18 141.069061 31 143.033585 59 143.094635 18 144.061737 18 144.366684 19 145.962402 20 149.045822 20 149.435013 27 152.732315 20 153.104568 18 153.220718 28 161.048523 113.50264 161.896469 20 162.047272 18 162.898514 30 163.561829 18 164.035034 18 165.220459 17 166.055023 26 166.119324 18 175.920471 18 176.018951 18 178.924057 17 179.056595 403 181.914993 40 182.418427 52 182.857025 35 182.932266 18 184.941818 22 185.01413 18 186.094757 24 186.869659 35 186.903305 21 187.029663 18 188.984695 24 189.084976 17 196.673691 20 198.698257 19 199.721039 22 200.123932 18 205.052078 20 205.514038 23 207.053635 20 207.982208 47 208.503677 38 208.843811 37 209.397461 17 210.840698 18 217.036392 29.999998 221.060287 18 221.401245 20 222.860886 50 222.884079 18 223.864243 18 228.563339 19 231.521317 18 231.924835 21 232.02063 20 235.846695 20 241.43222 23 243.410507 18 248.825287 17 249.128494 27 251.115417 20 252.06958 27 253.044022 18 255.231903 20 270.072968 18 270.476379 18 280.264252 17 289.073456 23 295.935455 19 297.051575 50 305.046539 20 306.039185 18 311.17395 18 315.295746 22 316.083557 17 324.79895 20 325.185669 25 337.984039 18 339.722382 18 340.214935 60 341.110535 502 341.188293 22 342.090057 25 342.122345 38 343.114807 58 344.100586 18 344.215485 38 349.082581 20 350.109863 20 359.635437 20 374.044556 17 374.43277 17 376.240204 17 377.08609 254 378.080353 37 379.082581 149 380.086945 21 400.02655 21 408.203888 18 420.694489 23 427.958099 19 435.036987 17 459.25238 19 473.746765 18 474.858673 20 480.140808 19 494.977875 31 520.310913 18 552.95282 17 556.141968 20 567.129211 57 569.119324 18 587.383179 31 610.482849 22 614.222595 37 624.07196 26 626.755615 30 709.813477 19 723.205688 30 732.695862 68 753.96991 18 772.861877 32 870.666016 18 870.752563 39 871.204956 22 916.900696 18 921.523193 17 958.087219 28 971.826538 22 981.029602 21 988.694763 24 990.383179 18 1009.649048 19 1066.513062 18 1097.664185 18 1111.097656 19 1114.724243 18 1114.86084 33 1116.579956 32 1130.40686 39 1132.922241 18 1133.99292 26 1152.214722 18 1158.922607 29 END IONS BEGIN IONS FEATURE_ID=285 FEATURELIST_FEATURE_ID=Aligned feature list peak:285 MSLEVEL=2 RTINSECONDS=361.91 PEPMASS=369.13025 FEATURE_MS1_HEIGHT=7.814E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8:2065"] SCANS=285 Num peaks=185 59.011715 38 71.014198 22 71.3479 17 72.006264 158 73.029915 76 74.027924 39 77.799202 18 80.054153 32 85.030563 37 89.022408 36 100.080574 29 101.026047 56.398579 114.054482 17 116.050415 24 117.054138 20 119.037506 25 119.322281 18 121.051025 19 126.054985 18 128.046082 49 130.058472 17 131.037003 67 132.043396 18 132.080124 20 134.053726 91 142.065048 245 143.033981 20 143.069794 97 144.04689 435.245209 145.014893 33 145.048187 38 145.065491 62 146.063065 507 147.066147 41 149.989548 20 152.985809 23 154.061493 50 154.951523 17 157.052277 42 158.062012 874 158.122864 23 159.064133 133 159.092987 18 160.036789 20 160.063446 22 161.045807 48 162.052597 92 163.052292 36 164.034119 24 166.579819 20 167.034195 39 167.05838 115.999992 167.091461 17 168.0495 19 168.957687 17 169.051453 51.70882 169.076797 2617.876465 170.061401 1415.983643 170.0867 249.547607 170.338074 17 171.065842 256 171.099915 74 172.038589 76 172.072311 113 173.035507 19 173.082489 46 174.058792 22 175.082382 20 177.133575 18 177.868011 19 181.07695 356 181.933777 25 182.059692 92 182.086258 62 182.868179 37 183.051437 19 183.065384 21.615082 183.090714 59 184.073593 38 186.054077 17 186.088654 18 187.051147 18 187.06871 35 187.092789 23 188.072144 462 189.06723 17 190.049561 257 191.051117 19 196.146164 59 197.078598 64 199.086685 1885.968506 200.089188 354.484314 201.042801 34 201.067993 46 201.097748 36 202.050812 513.092529 202.278107 23 203.058212 20 203.088455 21 204.064285 23 206.072769 20 206.811981 20 211.093155 118 212.02121 35 212.072296 22 212.095169 18 213.064545 77 214.04039 27 214.066345 49.267532 215.089645 20 217.095154 116 218.080124 18 219.074249 18 222.113602 29 224.06282 20 225.058502 20 231.081223 55 232.062515 27 233.061447 18 233.084518 18 234.864151 18 235.840118 17 239.872849 18 240.693405 19 241.10788 26 242.1026 21 243.077728 198 244.040237 18 244.082657 25 245.1138 18 249.090256 280 250.090668 24 256.246185 22 261.084534 60 264.013885 19 270.791626 20 272.099304 17 273.06073 22 273.087311 17 276.874329 18 277.052948 19 278.967041 18 279.100281 120 283.060577 51 286.167175 18 288.548126 22 292.130066 25 292.891327 18 295.893433 20 296.116089 56 296.880249 20 299.990601 21 301.157227 76 302.156616 22 308.108765 26 309.069916 18 310.109131 30 311.171051 163 312.170227 36 313.169983 18 313.896393 20 314.165436 22 322.853455 38 331.160095 35 332.961823 54 335.867249 20 344.008911 20 350.830505 22 352.105835 238 352.857208 36 353.100098 78 354.839447 18 369.087036 18 369.131134 360 369.193329 18 370.033478 23 370.129974 60 371.114044 21 371.294434 21 372.187592 55 373.162933 20 384.354401 18 391.318542 18 706.255737 22 909.582214 18 END IONS BEGIN IONS FEATURE_ID=286 FEATURELIST_FEATURE_ID=Aligned feature list peak:286 MSLEVEL=2 RTINSECONDS=361.98 PEPMASS=380.08579 CHARGE=-1 FEATURE_MS1_HEIGHT=2.396E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8:2068"] SCANS=286 Num peaks=193 51.024094 60 55.020702 36 59.012508 616.077759 59.246395 25 59.315632 21 60.015987 60 71.013527 1031 71.233688 20 72.017181 88 72.917747 23 73.027626 72 80.099556 21 81.034698 29 83.013527 39 84.020569 18 85.027252 206 85.680939 18 86.036301 56 87.008163 44 87.045097 18 89.023781 2742.144775 89.534286 25 90.027435 129 91.027298 138 92.927933 18 95.012032 45 96.01799 28 97.027786 80 101.023872 1573 102.028236 155 102.128937 20 103.399994 25 105.033882 18 107.015923 19 107.033607 48 109.028145 17 113.023369 1874.748413 114.024368 66 115.00399 17 115.022919 36 115.041679 17 119.034271 1961 120.040749 159 120.269119 19 120.334808 21 120.970825 20 121.038849 108 123.052551 22 125.011337 16.261345 125.022186 45.058083 126.017296 18 128.033615 20 128.089539 21 131.035248 240 132.038666 20 132.063522 20 132.618362 20 134.047577 134 136.039429 32 139.042511 57 143.034683 342 144.036743 105 146.043213 21 146.136719 17 148.039932 18 149.046539 254 150.026733 18 150.048111 24 151.040512 18 158.092209 26 159.028488 19 159.755173 18 159.892578 24 160.049316 33 160.839432 23 161.045929 1415 161.167877 18 162.04834 216 162.080719 20 162.919296 18 163.066605 19 163.894058 17 164.037445 18 164.050552 29.039125 165.035065 27 165.917206 22 168.030441 27 170.686142 18 172.042435 21 174.043335 20 177.859314 18 179.055786 5236.279785 179.100494 19 179.222595 17 180.056946 626 181.061157 238 182.056473 39 182.488892 17 185.059189 20 188.037338 26 188.856216 25 189.044678 21 190.053024 46 193.896729 20 199.018677 376 199.633179 18 200.021912 80 201.018356 17 201.180267 28 206.069794 96 209.426376 18 212.938431 18 213.061996 67 214.951614 24 215.034714 162.44751 216.030945 89 217.028915 1331.945679 218.029297 115 219.02417 37 220.025665 27 220.74884 18 221.063843 264 221.902451 20 222.068161 98 222.86734 18 224.069473 26 224.849701 34 232.089813 22 234.135101 24 235.048935 18 235.986374 17 236.013336 17 242.011002 21 251.074188 96 254.938675 30 255.108429 27 259.119232 22 260.651367 18 268.27948 25 269.122498 25 273.996185 23 281.094788 182 281.610077 18 283.068573 17.371454 283.094849 58.628544 290.517487 18 300.086365 38 301.090637 36 322.101624 20 323.10498 22 325.815979 18 334.846558 36 335.021423 49 336.096161 20 337.030243 18 341.108459 9733 341.191772 18 342.111877 2051 342.167511 22 342.764008 17 342.897736 20 343.112305 1255 343.465088 18 343.627899 18 344.113403 152 345.119354 58 345.936798 25 347.122864 20 347.853607 18 349.513458 18 356.980347 28 377.097565 17 379.082123 7046.362305 380.013855 21 380.085693 1684.927246 380.139526 26 380.177765 20 380.672424 18 381.087097 333 381.148529 42 381.193024 18 382.114258 42 383.097107 19 383.144257 17 383.519989 18 389.29126 20 393.518951 18 426.889282 22 504.742859 29 544.147583 20 719.206238 18 844.436646 43 1102.747314 19 END IONS BEGIN IONS FEATURE_ID=287 FEATURELIST_FEATURE_ID=Aligned feature list peak:287 MSLEVEL=2 RTINSECONDS=362.01 PEPMASS=377.08539 CHARGE=-1 FEATURE_MS1_HEIGHT=3.659E6 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8:1991"] SCANS=287 Num peaks=468 53.038006 26 53.12315 18 55.020203 92 56.995049 18 57.0331 110 57.489235 18 58.687664 20 59.012943 3546 59.246105 18 59.334595 19 60.015938 74 61.839188 22 61.985962 23 63.05534 20 66.589027 22 67.472549 18 67.743629 22 70.12764 34 71.012863 4691 71.049576 18 71.319969 28 71.492699 19 71.541679 18 71.564575 21 71.941246 18 72.014244 105 72.200203 24 72.941742 19 73.027763 149 73.894516 20 74.033592 20 76.31002 19 76.757416 17 79.204552 18 81.035378 26 81.66378 25 82.575661 27 82.953514 21 83.012589 221 84.077133 21 85.029106 532 85.23941 17 86.281242 20 86.809952 17 86.81958 19 87.009293 240 87.041992 40 87.461342 18 87.792809 19 88.007805 35 88.749069 17 88.762276 21 89.023537 13901 89.205742 20 89.49189 20 89.661835 20 89.695877 18 89.753181 20 90.028145 598 90.2034 18 90.381531 25 91.027718 112 91.654533 24 92.092468 25 92.248779 17 93.045876 21 94.922928 24 95.013817 174 96.969948 34 97.028374 256 98.02729 20 99.009521 55 99.030846 22 99.042252 18 99.157944 18 99.412392 17 99.579468 20 99.827057 26 100.009209 41 101.023888 7385.990234 101.556068 18 101.600685 17 101.703316 21 101.955505 24 102.027504 517 102.661476 22 102.813812 17 103.031464 47 104.922798 18 105.311111 26 106.98822 38 107.034439 230 108.040718 23 108.987938 28 110.273003 20 110.650711 23 111.046379 19 112.989517 21 113.023659 6937.924805 113.047745 18.1436 113.249687 23 113.689163 17 114.026833 414 114.950348 60 115.037987 161.866379 115.280594 18 115.854904 18 116.110031 18 116.674454 19 117.014854 35 117.92067 21 118.895683 18 119.001587 24 119.034233 9184.785156 119.360634 18 119.452927 20 119.67823 23 120.016129 24 120.038246 364 120.056961 18 120.145065 24 120.497002 18 121.043961 93 121.95742 17 123.0308 18 124.012756 18 124.037056 18 124.681778 21 125.023254 250 126.10318 18 127.006165 18 129.01712 55 129.05481 18 130.823471 18 131.035919 1629.815552 131.257751 21 131.571976 45 131.914261 25 132.038239 108 132.762665 20 132.862717 46 134.403046 18 134.928055 27 135.042709 17 136.762268 34 136.85144 18 139.024261 19 139.042206 20 140.031921 20 142.022079 33 142.613937 18 143.03418 2958 143.624588 18 143.677383 38 143.719757 17 143.931671 19 144.039749 127 144.455002 17 144.997299 28 145.035522 34 145.950302 18 146.007675 17 146.035385 20 148.082382 27 148.483459 18 148.671432 22 148.909439 18 149.018387 66.399628 149.044647 1812.386841 149.490784 18 149.784988 18 149.984756 28 150.008072 21 150.046051 38 150.236008 31 150.601364 20 151.044586 38 151.329224 18 151.850433 19 151.950867 20 155.004456 26 155.036682 26 156.895813 18 158.019974 17 158.044098 26 158.810074 18 159.031311 76 160.921738 18 160.992233 30.987598 161.007095 71.012405 161.044586 7079.96875 161.625916 18 161.701065 24 161.745987 39 161.776672 24 161.843994 17 162.048508 588 163.056839 39 164.342819 18 164.664429 18 166.018036 17 166.579391 18 167.495483 24 169.047958 23 173.097748 20 173.888474 25 175.058731 18 175.599655 37 176.067749 27 176.405472 18 176.979889 17 177.037109 18 177.396851 17 178.168411 29 178.501556 22 178.646423 19 178.963821 18 179.009064 30.796272 179.024094 73.50135 179.055344 23775.292969 179.116165 38.650249 179.251465 20 179.455215 18 179.632339 18 179.692535 22 179.780777 18 179.895554 17 179.975464 34 180.004013 19 180.058624 1521.447144 180.169205 20 180.238022 18 180.492706 22 180.674576 24 180.72998 53 181.062744 203 181.269897 18 181.328644 20 181.390579 21 181.575714 17 182.061554 35 182.095413 18 182.985016 18 183.931122 17 184.542938 17 184.792862 21 185.043991 20 185.09964 18 186.161835 18 188.897751 18 190.845535 18 192.904404 40 197.02182 993 198.02034 42 198.531387 24 199.019424 371 200.076843 20 200.203629 23 202.840012 20 203.060333 56 206.686279 17 207.135864 18 209.069092 18 209.570969 18 212.147537 23 213.111481 33 215.031937 7095.449707 215.102692 18 216.037537 571 216.594345 18 217.029495 2347 218.028412 143 220.231415 19 220.555328 23 221.066818 1482 221.914948 18 222.043839 26.367535 222.070786 194.956573 223.073334 20 226.094131 20 226.906952 17 228.875793 18 231.040375 17 231.788879 21 233.064987 65 233.129562 18 234.2659 18 235.057419 20 241.809265 18 247.046188 25 251.074966 572.990051 252.080154 25 252.398392 26 254.903931 17 255.255219 18 260.157349 19 260.885376 18 263.080353 26 269.091248 38 271.083374 30 278.68103 22 279.191345 19 281.024994 17 281.082825 348.267944 282.08963 60 285.671051 26 287.073425 20 291.381409 17 294.03775 26 298.022705 27 303.898315 17 306.873169 37 307.125732 33 309.07431 28 311.099426 18 315.997986 26 316.719299 30 317.627014 21 323.090973 41.154755 323.110596 82.310089 324.097809 22 326.833649 19 331.747833 57 334.900757 27 336.013458 18 336.092896 21 336.144806 20 336.185883 18 336.295837 18 336.61618 20 338.077942 17 339.732391 18 339.967499 18 340.319855 18 340.790497 18 340.919098 17 340.961273 18 340.991058 39 341.039337 36 341.107605 49210 341.191406 1397 341.271393 19 341.782806 18 341.888336 17 342.111725 7907 342.381195 35 342.437775 25 342.536713 18 342.604706 22 343.11322 1491 343.16861 18 343.454163 26 343.772095 17 343.941803 18 344.115845 243 344.337494 20 344.557587 18 345.098389 17 345.737122 20 346.59613 18 346.896271 20 347.133301 24 347.259918 27 349.625397 22 349.663147 18 349.939758 18 351.240295 20 351.754517 25 351.791077 18 354.712646 27 355.28775 18 358.878723 18 359.990021 17 371.461212 22 371.548615 19 372.281036 20 373.48291 18 376.942291 37 376.984802 17 377.084045 35423 377.172943 1151 377.232239 38 377.302063 141 377.391663 49 377.456696 18 377.80246 18 378.002289 18 378.025909 19 378.087524 6542.947754 378.182312 134 378.216156 17 378.291626 21 378.359039 19 378.517426 31 378.59967 17 378.863464 18 379.030975 23 379.082428 13541.637695 379.171112 303.99823 379.241882 18 379.298706 24 379.365295 18 379.396729 18 379.624481 18 379.782257 18 379.936523 17 379.991608 17 380.086426 1744 380.170502 24 380.72818 18 381.089325 78 381.148773 20 381.231262 18 382.079132 22 382.41568 25 382.886108 19 382.940033 35 383.201141 18 385.300964 17 385.560364 18 386.087097 18 387.435944 20 387.614044 18 390.239227 22 391.628448 20 393.503265 21 404.439026 21 418.493317 20 419.534821 20 420.671661 22 421.168518 30 426.489105 20 428.786102 20 442.968292 18 463.008514 40 538.604614 20 538.778992 18 542.78772 20 544.744446 18 555.265442 17 583.910645 18 587.93811 20 589.703613 28 595.131775 18 621.50415 21 642.358765 20 654.185242 23 694.436707 20 704.282898 22 760.784241 34 775.742798 17 842.232422 18 942.986816 18 991.482605 20 999.564575 19 1002.278503 18 1021.590088 24 1038.991699 17 1057.533447 19 1083.121826 21 1159.015259 17 1159.625977 21 1176.332397 35 1177.509888 48 1179.5979 17.999998 1184.514648 18 1196.427124 22 1197.640991 23 END IONS BEGIN IONS FEATURE_ID=288 FEATURELIST_FEATURE_ID=Aligned feature list peak:288 MSLEVEL=2 RTINSECONDS=362.61 PEPMASS=195.81008 CHARGE=-1 FEATURE_MS1_HEIGHT=2.84E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8:1976"] SCANS=288 Num peaks=269 51.738609 19 52.794548 17 53.611702 18 55.02256 19 55.202858 20 55.378288 19 55.56041 18 56.351028 21 56.832382 18 56.998325 18 57.057583 21 57.321198 18 59.013294 18 59.038773 20 59.259018 18 59.400303 22 63.69408 18 64.117889 19 64.286209 18 64.709579 18 66.000778 18 66.416031 17 66.507957 24 67.466095 20 68.215454 37 68.745857 20 70.542046 37 71.614822 19 72.227386 23 72.996155 40 73.029251 18 73.067413 29 74.000336 17 75.007126 429 79.611107 24 79.957405 21 80.266212 28 80.540833 17 80.755951 18 83.191162 28 85.025734 18 85.100845 33 85.679443 24 86.333107 18 86.39679 17 87.012871 20 88.4245 23 88.589119 18 89.05687 21 89.932045 18 90.671379 20 92.199669 18 94.927177 18 95.24144 23 95.295815 29 95.628258 18 95.761513 19 96.810089 25 96.935959 20 98.310516 18 98.361053 18 99.008293 61 99.539719 18 100.041634 29 100.056473 24 101.025459 33 101.928955 18 103.009613 18 104.149506 24 106.866341 22 107.092499 30.000002 107.77964 20 107.954651 20 108.025497 19 108.312996 22 110.067352 18 111.003883 20 111.022011 22 111.834946 26 111.853584 32 112.100342 18 112.158905 22 113.025925 23 113.450233 21 115.046852 20 117.016716 17 117.272263 33 117.620056 18 118.926346 22 119.948181 25 120.903984 20 121.264618 29 122.032562 22 122.893074 18 123.614464 19 123.960762 22 128.067276 20 129.019135 154 132.426056 23 133.721939 23 135.041443 62 136.067535 17 137.739426 48 141.835114 31 146.313293 18 151.005875 18 151.080627 18 152.568146 52 153.018906 23 158.458374 32 158.511459 17 158.846054 230 159.0327 18 159.523758 17 159.8806 18 159.929123 19 160.447586 18 160.841095 22892.882812 160.900482 37 160.923157 18 161.202332 24 161.40567 20 161.843323 423 161.926361 18 162.031555 19 162.091614 22 162.294418 18 162.669281 17 162.691452 33 162.808273 17 162.838623 17846.490234 162.960403 19 163.416245 19 163.840851 319 163.886169 41 164.260513 51 164.836258 1211 164.906693 20 165.875137 22 166.240265 20 166.285507 17 166.50676 18 166.782806 20 169.022903 50 170.617111 17 170.818573 18 170.966721 17 171.455246 22 171.494125 18 171.672012 24 172.558151 19 176.89415 92 177.410004 18 179.055298 22 180.86972 17 181.016281 24 182.859726 21 185.268021 18 185.968552 20 187.120041 20 187.150269 19 190.798508 22 193.035965 23 194.3405 22 194.906219 18 195.049988 445 195.810211 3586 196.810806 56 197.807724 4773 198.808075 135.737091 199.023163 148.158203 199.805283 510 199.832901 20 199.921066 40 200.80069 18 200.819611 22 201.446564 24 201.793762 18 201.850922 20 202.405228 18 202.547302 20 203.514725 17 204.280746 22 206.58255 20 207.476593 18 210.276474 18 211.271576 17 218.789948 18 219.396561 21 220.833359 31 221.997818 18 231.5168 17 235.168777 27 237.997528 18 260.791565 18 271.574707 17 272.378204 20 276.001282 25 278.230164 18 278.40155 18 279.08194 19 280.766418 19 281.934509 26 283.811371 17 284.486053 23 291.211975 21 302.393188 18 306.971924 20 314.644958 30 316.114868 20 347.458069 19 349.08609 17 353.058685 18 359.309021 18 365.984314 18 377.090485 49 379.079651 22 393.378998 22 397.396576 19 404.91452 21 405.471558 25 414.791748 23 415.288269 19 416.123383 24 420.894623 21 421.136261 18 422.732635 18 435.708954 20 437.268494 18 444.040436 31 464.494293 26 474.793243 20 475.184784 17 489.627411 21 503.153961 18 508.152985 17 515.53064 18 537.482361 19 540.441467 19 542.912964 20 554.643555 27 655.56012 20 697.2099 20 785.879822 18 907.195374 20 925.048218 18 934.594727 18 949.709045 20 951.061523 27 985.985718 19 1003.743958 19 1006.772949 18 1017.497131 21 1027.74707 18 1032.58313 24 1076.527832 18 1081.87439 21 1112.036133 18 1125.196899 18 1144.344482 17 1149.114624 22 1151.092407 17 1156.943726 42 1164.480835 20 1165.483398 27 1166.903809 32 1173.991577 18 1196.782593 20 1199.432495 18 END IONS BEGIN IONS FEATURE_ID=289 FEATURELIST_FEATURE_ID=Aligned feature list peak:289 MSLEVEL=2 RTINSECONDS=362.69 PEPMASS=85.02885 FEATURE_MS1_HEIGHT=1.331E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:2280"] SCANS=289 Num peaks=122 51.800583 18 51.810181 18 52.455803 18 52.798561 20 52.910652 18 56.168545 20 56.495632 21 57.16761 20 58.095032 18 59.230225 18 60.012436 18 60.665176 17 61.962948 18 66.321815 18 66.603157 36 68.735458 21 68.801727 21 71.766312 20 72.465202 18 73.064896 28 73.780014 19 74.255264 23 74.804024 18 75.223312 17 76.811691 20 77.457123 18 79.941811 19 81.480438 23 86.620178 21 87.190094 26 87.365494 22 87.417206 18 88.041534 35 89.061676 22 90.885185 17 92.45739 20 93.602348 18 93.652718 28 94.378143 20 96.033379 27 96.577423 55 97.244858 25 97.784607 30 99.251755 19 102.456726 20 111.163345 19 111.244774 34 111.539955 20 113.064491 23 113.547325 21 113.736832 18 114.877258 22 116.279343 19 124.705627 19 125.425079 18 129.257812 18 137.955414 39 138.478638 61 143.025375 17 143.058823 17 153.373444 17 160.644501 20 162.586441 18 170.291916 19 188.827576 18 190.897156 19 192.262955 18 194.356155 30 194.75238 30 194.926483 18 201.11235 21 201.502228 25 205.445389 30 205.557953 20 206.816315 18 209.052597 28 210.365234 20 212.163528 19 213.632721 22 214.694473 21 215.510117 18 216.980606 17 217.259094 20 226.749069 22 241.844894 18 243.94455 20 245.223846 18 250.480621 18 254.23143 30 257.348724 26 258.261963 19 268.123993 28 311.962646 20 321.806885 31 323.099426 20 330.398773 18 330.918884 18 332.01001 17 344.831146 19 359.175873 18 377.094238 39 378.078613 34 446.648224 18 483.427216 17 583.684692 40 672.733826 27 717.339111 18 727.187744 18 890.440125 32 917.415833 18 1007.028381 29 1050.358887 20 1060.103394 26 1071.686646 18 1098.120972 30.999998 1132.163696 23 1155.080322 30 1164.594604 18 1167.995117 18 1168.685303 20 1168.979736 17 1169.580078 18 END IONS BEGIN IONS FEATURE_ID=290 FEATURELIST_FEATURE_ID=Aligned feature list peak:290 MSLEVEL=2 RTINSECONDS=362.79 PEPMASS=351.088 CHARGE=-1 FEATURE_MS1_HEIGHT=1.226E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8:2051"] SCANS=290 Num peaks=103 59.017838 27 79.000946 17 88.987564 20 89.023865 113 97.943336 18 101.026207 57 102.025772 18 104.922073 18 111.007431 19 113.02021 18 118.89856 17 119.034424 23 120.949036 30 125.871216 18 134.931107 18 136.923798 17 139.941452 31 139.968475 32 141.066666 19 141.865707 17 141.936035 18 143.923859 21 144.047791 20 145.067337 18 147.937286 57 148.910263 18 149.041656 43 149.929718 28 150.915771 18 152.878174 18 154.997025 18 155.958221 18 156.897888 21 158.086533 18 159.89006 47 160.891449 18 161.883301 20 162.978577 24 164.036362 47 171.926987 22 173.064407 27 174.863922 18 175.915466 37 176.014694 67 176.856705 58 177.858231 40 178.86351 55 178.897491 26 178.925369 22 179.055374 54 179.864014 34 180.052628 24 180.854553 18 191.925125 19 192.902115 18 195.075272 26 196.973129 22 199.948151 36 202.048141 19 203.966187 20 208.959991 33 209.858215 17 210.89827 18 214.969772 18 215.117844 17 219.078751 20 230.164841 29 234.916656 17 235.921387 17 236.864487 18 237.918808 26 240.400391 18 241.00621 20 241.9646 18 254.163361 19 260.907593 24 260.975708 104 261.930328 21 265.139801 19 277.004669 22 292.055298 18 292.809784 17 298.979187 40 304.964508 118 306.218994 21 306.755035 20 306.961731 37 313.117981 306 314.116058 127 314.871246 49 315.129242 23 315.169861 47 317.199249 18 318.092133 19 322.90094 17 350.093201 153 351.091766 75 353.205383 17 353.916901 18 455.866028 26 608.323608 18 638.961609 18 803.211182 20 END IONS BEGIN IONS FEATURE_ID=291 FEATURELIST_FEATURE_ID=Aligned feature list peak:291 MSLEVEL=2 RTINSECONDS=362.87 PEPMASS=349.09021 CHARGE=-1 FEATURE_MS1_HEIGHT=3.085E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8:1772"] SCANS=291 Num peaks=145 52.483276 17 59.013565 209 59.871487 18 71.013344 146 72.015831 17 76.938416 20 85.029732 18 87.048485 26 89.023781 733 89.368011 17 89.43692 18 90.030563 43 91.366432 19 101.024887 244 101.972466 18 102.013741 20 103.506874 18 104.915649 20 107.179359 22 107.838547 24 111.009033 66 111.055489 21 113.023766 254 114.028465 23 115.039185 18 119.035126 663 120.038864 39 120.153358 17 123.645653 20 129.93689 18 130.670868 18 131.03476 133 132.035934 20 132.070374 19 134.927261 18 137.031921 23 141.940948 37 143.035538 196 143.292221 20 144.954514 18 146.909988 18 147.945435 18 148.910004 25 149.0457 132 151.066422 48.763397 156.886093 33 157.93277 63 158.887863 18 160.895905 46 161.045135 301.144775 162.841476 28 163.060516 46 164.037155 110 165.038147 22 165.975082 18 167.592316 21 171.954651 20 173.012131 35 173.100601 24 174.862091 35 176.860855 27 176.899582 18 177.236938 18 178.860199 81 178.920776 21 179.055725 1196 180.060867 93 182.865128 17 182.954758 22 188.952255 22 188.984573 21 189.940094 20 191.027985 23 192.986511 20 194.061768 22 196.890747 18 197.057648 22 198.99704 18 201.181366 18 201.95137 18 205.919327 19 207.088242 17 213.070755 18 213.981125 18 221.960648 42 229.052673 21 230.995468 18 233.055191 32 235.904602 20 235.922974 21 236.862061 23 241.005447 19 243.965881 18 249.012238 18 252.048309 20 253.082825 17 257.105621 50 259.957794 20 260.043579 20 260.980286 132 267.488983 28 270.894501 18 271.081146 18 274.888947 71 275.887085 20 276.745697 18 278.187622 24 279.907898 39 292.894196 35 293.18161 20 293.88147 41 297.89212 17 304.155518 18 304.966797 20 305.966522 17 309.146667 24 311.921051 18 313.05069 34 313.114105 4627.633789 313.975006 25 314.063568 18 314.11676 439 315.120667 200 315.178223 22 316.903503 38 317.138702 19 318.846313 17 347.927856 26 348.121155 24 348.201752 19 349.091339 2869.908203 350.095245 247 350.160034 23 350.966278 17 351.088745 1052 352.051208 20 352.083527 38 352.852783 20 355.581146 20 432.123077 17 507.166138 25 717.249512 17 731.473022 20 746.574097 17 867.836548 18 END IONS BEGIN IONS FEATURE_ID=292 FEATURELIST_FEATURE_ID=Aligned feature list peak:292 MSLEVEL=2 RTINSECONDS=363.24 PEPMASS=197.80745 CHARGE=-1 FEATURE_MS1_HEIGHT=3.536E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8:1786"] SCANS=292 Num peaks=162 51.62468 29 51.937756 24 53.091198 20 53.414127 20 54.516865 28 55.638432 17 57.086468 22 57.168404 18 58.120853 17 65.787834 18 67.569328 17 69.156555 18 71.949265 18 73.030205 32 74.137276 33 74.950981 47 75.847435 17 76.913017 18 77.235596 23 78.962601 18 79.69619 18 86.692467 18 96.908981 17 97.932861 18 97.953941 18 100.044167 18 100.214302 31 104.211937 20 105.947426 20 109.510406 23 111.567833 22 115.087425 23 115.175842 18 117.538696 18 119.911293 18 122.67308 39 128.843994 24 129.03688 20 130.407761 23 139.37384 31 141.164185 18 144.987885 35 147.391556 34 155.706558 18 155.823425 20 156.236359 18 159.34935 18 159.380692 20 160.442169 17 160.477844 17 160.506561 25 160.842194 10081.444336 161.541138 20 161.843979 618 161.90419 22 162.374451 17 162.838974 35624.875 162.896606 90 162.971741 17 163.099976 20 163.38504 24 163.523422 18 163.554214 40 163.632782 18 163.668823 17 163.702942 18 163.771423 40 163.810669 20 163.839874 816 164.009064 18 164.040634 43 164.291229 29 164.835709 9957.615234 164.894211 20 165.10202 18 165.239716 19 165.837067 211 166.011398 18 166.643127 29 166.835861 344 166.866409 18 168.012344 17 169.620132 22 170.317581 18 171.585632 39 172.108215 19 172.354141 18 173.372818 24 173.692856 28 174.322067 24 175.490631 27 180.85788 18 183.562088 18 183.813705 22 185.109497 17 190.204651 18 191.417923 21 192.141907 18 194.867844 41 196.810104 110 196.933975 18 197.639648 18 197.807373 8536 198.809738 209 198.859543 20 199.024414 18 199.680191 18 199.804947 4609 200.101273 21 200.165726 25 200.33754 22 200.807526 23 201.003204 19 201.057678 21 201.804535 280 202.880264 19 204.154984 19 211.600998 24 212.600113 53 216.537582 24 227.887436 25 229.276825 28 239.779312 20 247.813675 19 264.19809 20 271.350983 27 279.079224 18 293.207764 20 293.919434 24 308.375214 22 315.472229 19 320.768555 27 332.293121 33 335.557892 18 337.857574 18 339.773926 25 346.921906 17 349.098938 24.000002 371.218781 18 377.083771 20 378.095276 23 379.083221 35 380.087219 22 391.146088 19 403.357086 18 454.202026 22 485.244965 18 513.779602 20 539.541077 22 572.866455 20 653.85199 18 696.240356 42 867.964661 20 926.599609 23 961.136719 17 991.405884 27 1006.309814 22 1059.540649 20 1123.491211 24 1125.004517 27 1142.686279 25 1168.595947 18 END IONS BEGIN IONS FEATURE_ID=293 FEATURELIST_FEATURE_ID=Aligned feature list peak:293 MSLEVEL=2 RTINSECONDS=363.77 PEPMASS=199.80439 CHARGE=-1 FEATURE_MS1_HEIGHT=1.797E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8:1978"] SCANS=293 Num peaks=91 58.026737 19 62.989582 56 66.278625 22 69.949242 18 71.048241 18 72.045105 41 74.025131 23 79.956116 58 82.31974 23 93.029785 18 96.381737 20 99.026985 19 100.038719 171 101.043022 18 101.054283 36.475029 102.018318 20 109.025276 20 110.972702 25 111.078224 20 123.009354 28 123.793236 18 124.080124 20 126.055801 22 128.031876 18 136.897064 21 139.085907 17 139.118408 23 141.107071 37 142.011414 24 143.079895 18 145.01181 20 153.024643 30 155.283051 32 155.911484 22 155.941345 49 157.097885 18 158.027725 18 161.089264 18 161.669846 28 161.84317 121 162.413132 29 162.838745 5789.369629 163.082901 20 163.548401 20 163.840317 378 164.038879 566 164.692993 20 164.835434 7540.613281 164.871063 18 165.040955 37 165.12674 18 165.299637 18 165.541031 18 165.834396 173 166.036865 36 166.290314 17 166.618484 18 166.757904 18 166.83345 636.833801 167.093781 18 169.018097 82 177.012497 29 181.885162 18 185.092834 34 197.079025 18 198.804718 55 199.023468 58 199.174042 38 199.804047 1986 200.0047 63.999996 200.02977 19 200.0495 17 200.803726 55 200.98175 26 201.801804 478 202.643051 26 202.813934 18 203.100998 97 203.62674 19 236.766052 18 258.447113 19 279.877014 18 289.566193 18 290.623962 23 299.440338 20 328.834595 23 399.932281 29 504.651154 58 580.083679 20 613.547852 22 679.395142 18 END IONS BEGIN IONS FEATURE_ID=294 FEATURELIST_FEATURE_ID=Aligned feature list peak:294 MSLEVEL=2 RTINSECONDS=364.80 PEPMASS=255.82169 CHARGE=-1 FEATURE_MS1_HEIGHT=5.439E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8:1843"] SCANS=294 Num peaks=110 68.222626 18 79.127472 22 86.423889 22 88.051186 17 91.915504 23 100.527603 18 102.95314 18 105.744324 21 111.080986 21 118.11068 28 118.895477 18 125.872643 21 133.918533 18 137.89772 27 140.898102 22 140.942139 20 141.86734 18 143.865295 18 145.910477 23 146.938599 27 147.893341 118 148.892487 22 154.016098 42 160.843658 17 164.872772 99.456276 165.352768 23 166.865891 1378 167.758514 18 167.867538 72 168.862762 385 170.868912 20 176.887207 19 177.914154 23 178.900757 19 180.854156 18 182.855789 20 182.88028 85 183.867661 292 184.877136 933.5672 185.873093 127 186.872849 194 188.871201 20 197.330536 19 199.838531 80 200.586868 27 200.816483 18 200.972946 17 201.834091 8273.989258 201.875015 18 202.042587 17 202.644043 20 202.835846 779.473694 203.081848 18 203.831375 5058.662109 203.888184 17 204.442688 18 204.560547 20 204.679596 20 204.830414 297 205.829102 359 206.009689 25 206.179138 18 207.543579 17 208.887283 18 210.124557 39 210.293991 18 210.881271 18 210.952209 18 211.14061 19 212.014343 18 216.113098 52 216.661758 22 216.861465 17 217.644577 22 217.854095 129 218.836151 25 219.462311 18 219.698166 18 219.844955 9332.282227 219.89183 20 219.943481 20 220.123581 21 220.845093 774.998291 221.842392 6300.131348 222.094604 18 222.55687 28 222.844254 426 223.83989 271 224.174759 19 226.595688 48 237.811722 17 238.833405 17 241.811234 33 255.231873 80 255.828278 76 256.983612 25 257.814117 28.289068 257.829376 70.016922 259.815826 18 283.688599 17 288.198029 20 304.998505 31 335.948517 19 339.460083 17 355.101288 18 421.558105 20 443.447968 20 521.878052 24 671.60614 18 812.250732 17 END IONS BEGIN IONS FEATURE_ID=295 FEATURELIST_FEATURE_ID=Aligned feature list peak:295 MSLEVEL=2 RTINSECONDS=364.80 PEPMASS=257.81861 CHARGE=-1 FEATURE_MS1_HEIGHT=5.583E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8:1723"] SCANS=295 Num peaks=166 50.480118 18 50.987988 18 51.024391 17 51.039639 26 51.691463 20 51.785381 18 52.051941 24 52.733059 19 53.006676 18 59.006996 17 59.119785 18 60.011032 18 60.428726 20 62.658344 22 65.5466 18 70.458031 44 70.626328 21 72.064949 18 72.684174 18 75.152611 27 75.40686 30 76.142334 21 78.191589 18 79.389191 25 89.027237 20 90.671936 18 90.732338 20 92.638351 38 99.926743 19 100.460693 21 100.926285 20 101.746613 28 101.965134 20 102.534729 20 102.949364 18 103.007034 19 105.225739 22 105.771774 18 112.276871 20 113.032211 20 118.036072 17 119.665329 18 123.609291 21 123.98513 18 125.869461 35 126.121086 32 129.141479 19 135.374084 23 135.618729 18 138.843918 18 140.957291 23 141.873718 18 142.806152 17 142.871552 18 142.896774 18 143.896683 18 145.031891 20 146.451004 34 146.923386 18 146.963043 21 147.736801 20 147.888763 18 150.402985 18 152.917053 21 153.4758 18 154.74295 20 158.575989 18 160.151855 27 161.592194 22 162.840836 53 163.421036 17 163.605835 30 164.871155 20 164.941254 21 166.864136 733 166.968643 21 167.866333 139 168.862656 571 170.867172 19 172.27565 18 174.746033 36 178.826248 26 182.945206 27 183.868103 178 184.873337 317 185.872955 105 186.872269 310 187.872803 41 192.186996 21 195.096481 18 199.001251 19 201.834503 1681 201.869675 18 201.932327 21 202.590988 20 202.837082 421.512695 202.916595 20 203.831711 5419.337402 203.927048 18 204.549911 20 204.607529 18 204.829071 293.495453 204.881973 18 205.830597 596 206.826065 38 207.972733 18 210.950043 65 210.989258 18 211.952148 18 214.895706 17 216.681671 20 218.646683 20 218.755417 18 219.845367 1970.121948 220.847519 440 221.45694 18 221.841919 5965 222.842545 537.523743 223.839767 1082.955811 224.833069 38 225.036652 18 225.848755 18 226.261673 17 227.950439 44 230.509583 18 238.583527 22 239.067657 22 239.80127 20 240.86998 20 242.073822 20 243.876221 36 249.494583 25 252.977707 21 255.325119 22 256.825958 17 257.627594 19 257.819702 172 258.821136 37 259.817444 141 262.361816 25 303.051086 18 305.004333 18 305.052551 18 305.688782 17 309.839142 23 334.667938 18 357.993164 18 377.082947 17 386.99826 17 393.700134 18 394.409027 22 397.923248 22 398.106567 20 418.228943 17 452.02121 20 466.905487 18 480.929962 17 494.662781 18 675.928467 18 999.053406 18 1022.583923 17 1027.635132 51 1069.131958 35 1134.874146 18 1170.425293 46 1183.268677 18 END IONS BEGIN IONS FEATURE_ID=296 FEATURELIST_FEATURE_ID=Aligned feature list peak:296 MSLEVEL=2 RTINSECONDS=366.72 PEPMASS=281.08741 FEATURE_MS1_HEIGHT=1.088E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:2305"] SCANS=296 Num peaks=292 51.936367 52 52.209049 25 52.589649 18 53.386482 30 54.082748 18 55.084553 20 55.486267 42.648289 55.493721 18.518053 57.032993 38 57.494202 34 57.761078 19 58.05706 20 59.011635 118 61.863468 19 61.987858 18 64.355568 19 66.419449 21 67.01783 31 68.35038 23 68.524887 22 68.999687 18 70.440056 18 70.464317 17 70.604622 27 71.012085 727.512512 71.624672 21 72.016342 18 72.6381 17 74.367661 21 76.001587 21 77.023582 19 80.424461 17 80.792747 24 82.076729 43 82.401863 26 82.908371 18 83.013779 36 84.022186 22 84.072014 18 85.02919 1156 85.184555 17 85.741829 18 85.945618 27 86.032516 20 86.417084 21 86.926353 20 87.007538 430.637939 88.012787 20 88.049675 18 88.307518 20 88.376968 18 88.415215 17 88.890717 20 89.02182 20 91.039841 41 91.232857 26 91.818726 22 91.845711 18 92.292381 18 92.403702 20 95.011917 43 97.12709 19 99.043274 45 99.088348 26 99.857376 18 100.013168 18 100.061623 20 101.025269 18 102.560226 20 103.001129 61 103.04335 76 103.626465 25 103.985748 27 104.88253 20 105.326859 18 106.09845 23 107.880348 25 107.942261 20 108.570717 18 109.079506 20 110.34893 18 111.007317 65 111.916702 18 112.020309 94 113.023834 2702.683838 113.056267 23 114.027367 164 114.182991 19 114.447563 18 114.931664 21 114.99424 18 115.030647 69 115.893593 18 116.931595 22 119.022041 19 119.705986 19 119.782822 22 119.972702 18 120.504692 17 120.533897 20 120.835175 18 120.899933 18 121.024887 18 122.814003 35 123.040466 19 125.33828 18 126.185188 17 126.464012 18 127.040047 57 129.018311 255 129.666504 20 130.018799 52 130.977921 20 131.031723 93 132.998672 18 133.771973 20 135.438583 18 135.691025 23 137.924789 20 139.00499 105 141.053314 17 141.095764 22 143.039948 20 143.080856 18 144.035355 20 145.049088 22 147.764954 23 148.004089 18 148.449585 29 148.77002 33 149.058624 18 149.620102 18 150.375763 17 152.472733 27 154.015594 33 154.079132 18 155.125534 18 155.354156 26 157.01355 76 157.216446 36 157.894928 20 158.017487 18 159.185715 18 161.042267 20 163.009369 24 163.056915 17 168.199188 17 169.014801 54 169.464508 20 170.393509 25 171.002365 44 171.682114 20 172.079132 21 173.008713 26 174.754227 27 176.773239 22 177.046051 38 178.045883 17 178.084915 18 179.059219 20 179.23642 23 180.856995 19 181.193756 18 183.172043 18 186.07785 64 187.059677 38 189.074097 20 191.023315 25 192.024429 20 193.994934 27 194.62114 43 194.964249 25 195.120834 39 197.029953 17 202.806458 18 205.071075 393 206.070709 34 206.93335 20 206.961868 22 207.075073 48 209.077835 57 209.53801 24 211.211761 21 215.552917 19 221.866684 19 224.340805 18 227.062103 22 227.315567 18 237.098358 20 237.149841 26 237.459061 24 239.189865 18 244.978897 24 245.761658 20 247.934555 19 249.061768 120 250.044586 17 250.065811 39 251.079498 18 255.786331 24 262.264099 28 262.361786 21 265.803284 22 265.963715 26 275.027649 17 278.552765 24 279.380005 18 279.414001 29 280.194794 24 281.086121 1824.033447 281.175415 18 281.230286 18 281.635498 19 282.091705 237 282.947998 44 283.093842 20 283.262024 30.999998 283.950226 21 298.846893 30 304.600372 17 307.479248 20 309.166107 27 331.734253 17 331.807709 22 335.356995 18 343.057159 20 347.078491 21 354.127594 20 354.217834 19 359.507812 18 365.82016 23 371.192719 20 377.080475 88 378.083649 37 379.081024 21 381.230225 20 393.707733 23 404.098358 44 405.02655 24 415.375732 22 436.200897 28 437.287628 18 444.025726 18 451.099976 20 486.06662 36 489.092651 31 490.707001 26 497.752716 18 531.880554 23 533.139404 37 534.132874 18 542.023193 18 562.9646 18 567.303345 20 617.156128 19 617.924133 38 628.042847 18 628.116516 17 664.826599 18 666.070068 20 670.293335 18 699.706055 23 716.214539 20 717.6828 20 740.788757 18 750.230652 17 793.458435 20 803.40918 20 838.964966 21 876.17749 18 877.247009 18 883.116821 18 970.050659 17 976.169067 33 980.943298 18 1004.223694 18 1028.911255 29 1030.044678 20 1030.134521 18 1035.033203 32 1048.932861 22 1076.198853 18 1092.447632 19 1102.529663 24 1126.507935 38 1130.22229 17 1136.66626 18 1149.093872 24 1155.599854 21 1172.146851 25 1177.216919 23 1183.235718 24 END IONS BEGIN IONS FEATURE_ID=297 FEATURELIST_FEATURE_ID=Aligned feature list peak:297 MSLEVEL=2 RTINSECONDS=367.47 PEPMASS=567.13242 CHARGE=-1 FEATURE_MS1_HEIGHT=5.908E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8:1841"] SCANS=297 Num peaks=134 54.901028 18 57.463539 28 59.012955 37 71.010132 63 81.034401 35 83.017532 21 87.009865 18 87.046822 23 89.025368 182 94.901405 28 97.028862 77 97.650238 18 99.227211 17 101.025742 348.006897 102.025887 26 103.016838 18 104.05011 48 104.95034 20 111.302414 20 112.989487 17 113.025375 80 115.039474 62 117.017593 37 117.078514 20 119.033173 107 119.949562 19 120.039528 18 121.038513 17 125.021164 38 128.910339 22 129.018127 89 131.034012 38 133.022171 17 135.029495 18 136.893417 22 141.012115 35 141.774887 18 143.035599 352 144.03569 18 145.346329 17 161.04454 432 162.047531 17 163.374359 18 164.897919 20 166.052261 22 172.94397 31 177.042068 50 179.055847 756.386169 180.061401 19 181.063202 24 189.039658 311 195.007004 20 207.051239 89 220.198853 18 221.065628 418.498749 221.988068 17 222.066635 36 223.89859 20 224.827713 32 236.381378 17 239.91983 21 245.068878 22 253.848877 18 263.071869 52 267.963348 17 279.066406 28 281.087311 88 282.095703 57 282.80661 17 285.905426 23 289.666565 58 309.079498 19 312.084442 22 316.8255 17 323.105438 44 323.977631 25 325.955719 18 333.739197 45 341.112366 204 341.25238 18 343.130249 19 343.885803 28 344.976349 25 347.102814 18 348.864471 23 352.09967 20 369.102936 73 381.636292 24 383.120544 749 384.120117 94 385.121429 18 387.113495 44 392.458466 18 394.808838 18 405.14444 22 407.113251 68.838181 410.545593 36 411.117737 184 412.122345 32 413.119812 20 420.146362 28 421.172363 28.999998 422.875793 20 422.986725 19 425.115723 22 430.953583 17 432 53 451.848175 25 453.127991 130.007996 454.122467 18 467.956329 40 471.137787 187 472.149384 18 479.24411 18 485.177032 34 486.135437 31 493.819702 20 503.171875 162.846832 504.160645 49.845413 522.248108 20 524.384399 20 531.14032 32 532.153503 19 533.317627 36 545.559143 18 560.685852 18 566.978699 18 567.132202 885.959106 568.139404 105 569.13855 363 570.137207 18 591.257385 17 598.121521 20 962.792297 18 END IONS BEGIN IONS FEATURE_ID=298 FEATURELIST_FEATURE_ID=Aligned feature list peak:298 MSLEVEL=2 RTINSECONDS=368.06 PEPMASS=377.08542 CHARGE=-1 FEATURE_MS1_HEIGHT=4.423E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8:2112"] SCANS=298 Num peaks=376 50.33968 18 50.799633 30 51.622776 25 52.875526 20 53.999557 18 55.015911 42 55.148182 20 56.557262 18 59.012943 1729 59.417439 18 60.015896 37 61.082966 30 61.982784 69 63.870991 25 65.136658 20 69.031723 25 69.994148 18 70.95887 17 71.013252 2253.44873 71.04837 20 71.085655 39 71.303429 17 72.015907 144 72.168198 17 72.990791 18 73.028885 285 74.03437 41.000004 75.394363 26 75.632278 18 75.641205 20 77.404099 22 78.007027 25 78.956802 20 79.019402 65 80.189087 37 80.598671 17 81.033371 60 81.919052 48 82.183411 17 82.724327 18 83.015358 287 84.022156 46 84.396957 18 85.028427 267 86.977798 26 87.007042 101 87.040741 63 87.970047 20 88.011894 17 88.825333 18 88.980537 18 89.024193 6851.674316 89.091904 20 89.22142 17 89.318481 19 89.394501 27 89.651459 32 89.699226 18 89.74762 19 90.027443 230 90.051056 24 90.298653 23 90.327484 38 90.433296 19 91.031418 45 91.442978 19 91.748756 18 92.303551 21 94.757103 23 95.014275 122 95.221413 31 95.458786 46 95.663498 18 96.016907 42 97.028198 351 98.031342 61 98.202301 18 98.432686 24 98.789116 48 99.041809 39 100.823387 27 101.024323 6197 101.065735 23 101.157997 17 101.604202 28 101.743042 17 101.983841 18 102.026871 258 102.593956 17 103.003166 18 103.025856 54 103.106972 18 104.086128 17 104.276093 30 104.322411 18 105.330772 18 105.692131 25 106.444824 20 106.777245 18 107.032059 18 110.881859 29 111.009132 22 111.907059 23 112.507011 17 113.02388 3250.525879 113.15799 20 114.027397 196 114.950172 87 115.041008 313 116.274078 18 117.018059 23 117.932686 20 118.42337 21 118.56678 18 119.034332 4140 119.743095 32 120.037033 240 120.336639 20 121.036819 55 121.479332 23 122.202454 21 123.455513 28 123.623299 25 125.024757 355 126.022476 19 128.799316 20 131.034012 716 131.676239 18 132.038666 20 132.56279 18 133.014145 20 133.034332 17 134.240112 18 134.566483 21 135.049942 18 137.023239 19 137.782074 17 139.042938 20 141.935089 18 141.95784 20 142.996353 35 143.034088 1467 143.062546 19 144.036224 138 144.960159 17 144.995224 18 146.954773 20 147.02951 18 149.044464 798.22644 150.052444 26 151.044083 20 152.05365 18 152.070786 18 152.372742 23 153.557022 33 153.700989 17 154.07019 18 154.996323 25 155.032837 18 155.813904 18 156.86441 19 157.932144 19 158.947311 65 159.033539 20 159.511642 17 159.776398 28 159.83963 30 159.94545 18 160.806442 20 160.870438 17 160.953476 18 161.044861 4747.40918 161.778275 17 162.049423 335.39679 162.49884 21 162.766785 20 163.046783 37 164.377151 18 165.139191 18 165.90744 18 166.511093 21 167.030991 18 167.574356 30 167.925537 17 170.9776 23 173.352203 40 175.294983 17 176.486786 42 176.515732 18 178.845505 24 178.981857 17 179.028473 47.666 179.05571 15168.704102 179.119232 69 179.337067 20 179.413605 22 179.528625 20 179.843521 20 180.058487 1106 180.223465 54 180.583313 19 180.958878 18 181.059998 244 181.434784 21 182.066193 35 182.130508 18 185.045898 18 189.430603 40 189.474396 17 189.923294 22 189.95433 17 190.880417 27 191.024841 20 193.543289 24 194.37262 18 199.963867 20 200.052856 22 201.435516 20 201.657974 20 202.609756 22 202.92836 46 203.358353 18 204.351334 25 206.088852 22 210.91246 25 211.57785 18 215.028809 18 219.358276 30 219.710007 22 220.025055 29 220.147934 18 220.817642 20 220.917358 18 221.066299 2880 221.442947 21 222.07135 335 223.040741 18 223.078445 18 223.101105 52 223.883118 18 224.835022 38 227.099686 24 227.299454 18 231.067566 18 233.067093 115 234.353271 18 234.574249 22 235.056335 38 243.264008 22 245.078201 51 245.190033 18 250.884918 18 251.078873 514 256.104675 17 257.574738 18 261.968506 27 263.016205 20 263.081604 139 263.14563 18 264.07254 20 264.32428 31 269.071381 19 271.315887 23 277.895782 20 281.089966 147 282.084778 19 283.083008 18 291.840942 18 292.677307 33 293.081207 20 295.956879 17 298.039764 22 301.932129 18 304.336945 20 305.086578 24 309.139679 21 309.842865 18 311.100433 106 311.165955 18 319.106628 29 319.185822 17 323.097107 62 324.106537 28 324.711029 27 325.100037 19 329.177185 18 329.99704 20 330.022339 22 331.017212 22 335.290497 41 335.973969 17 341.108093 964 342.116913 69 342.698425 26 342.907471 19 343.122437 37 345.559418 28 345.870239 20 346.856262 17 350.484985 90 367.746643 32 372.238464 20 375.919342 18 376.23999 18 377.08493 3608.279541 378.087128 311 379.034576 17 379.083008 1162 380.089325 221 380.616364 20 381.093689 20 389.246124 22 399.249115 21 414.080292 26 416.653229 26 424.241211 18 431.700897 18 447.933624 50 458.794861 17 493.863831 22 495.939178 25 502.223206 49 506.476288 17 512.371521 25 520.03418 21 535.027954 18 549.137695 18 561.556519 18 569.123352 18 574.903381 22 619.874146 28 620.801392 18 643.573059 18 650.007812 33 670.891296 17 694.022766 19 711.206848 18 731.173523 18 780.075378 18 788.715515 17 793.513062 18 809.410583 20 818.995178 33 824.774658 18 831.924377 50 836.098389 18 860.435974 30 882.968445 26 884.086426 21 901.063904 20 933.884277 17 964.539917 18 967.182556 17 972.070862 21 981.05896 19 987.128845 18 990.933289 17 1012.896667 41 1040.92334 18 1043.054932 20 1069.001465 31 1089.907227 52 1093.196411 18 1106.200684 18 1121.579712 18 1122.552734 18 1124.534668 18 1126.344482 18 1129.136719 17 1134.147461 22 1136.710327 28 1146.223755 17 1168.21167 25 1176.740356 23 1192.989502 18 1194.181885 18 END IONS BEGIN IONS FEATURE_ID=299 FEATURELIST_FEATURE_ID=Aligned feature list peak:299 MSLEVEL=2 RTINSECONDS=369.93 PEPMASS=127.05074 FEATURE_MS1_HEIGHT=1.414E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8:2306"] SCANS=299 Num peaks=199 50.105625 30 50.188183 27 50.518753 18 50.56213 23 51.012314 18 51.056976 54 52.848972 18 53.153248 32 56.946693 20 57.944637 18 59.142002 22 59.79734 25 59.953274 20 60.731987 25 61.075245 20 61.399662 20 63.084793 22 64.379044 32 66.430504 22 66.510986 25 66.64624 33 66.991333 21 67.077988 23 69.023788 18 69.839043 18 70.641151 23 72.446899 30 73.040627 37 73.926292 44 74.859177 21 77.279556 27.000002 78.612991 51 78.793114 21 78.954338 18 80.646912 22 80.685265 20 81.539536 21 81.607712 18 81.733284 33 82.617332 26 83.255219 22 84.045715 32 84.713615 19 85.026527 34 85.757034 29 85.969872 26 86.59375 17 88.055016 18 88.895355 19 89.124023 36 89.450554 17 89.890587 23 90.779701 18 92.57206 20 92.82872 19 96.747948 21 98.544716 21 101.237244 18 101.585464 18 102.771469 17 103.563499 20 108.032333 18 108.198158 22 108.461632 26 109.039604 79 109.236977 29 110.041367 19 111.169487 22 112.079201 20 112.599762 47 112.719368 17 113.019463 18 117.312012 18 118.748032 18 119.625832 22 120.366493 22 120.510773 18 122.135506 18 123.517296 23 125.686348 20 127.015862 22 127.049683 208 128.035355 73.998611 128.05484 58.381435 129.02092 92 132.644058 21 134.964127 18 135.401062 18 138.495453 37 138.671585 19 140.272644 27 140.687027 20 141.016861 20 145.057739 90 148.816254 19 156.7229 18 161.045395 18 161.698807 22 161.790787 28 162.915558 19 168.948807 18 176.376755 19 178.374222 20 179.060562 51 180.221832 17 183.979309 17 184.218597 20 186.863785 18 191.020111 82 192.9375 25 193.326569 19 199.81842 31 203.430023 17 203.502701 22 204.322372 20 204.885498 26 204.984421 24 210.663788 25 218.155411 22 219.758759 18 221.060257 23 223.452499 17 224.968155 20 225.482941 17 226.987152 21 232.085632 22 233.802048 24 242.082977 20 245.993546 18 263.04895 25 270.322845 30 274.850006 18 275.996521 20 282.565704 22 288.55484 20 298.260864 25 301.239075 20 312.135773 19 314.11972 20 317.903778 18 323.097534 20 327.983002 18 328.495026 19 330.086975 24 336.434021 22 340.061218 35 341.106384 18 345.050262 18 363.995178 19 365.271179 23 374.334717 22 377.085968 22 378.819977 22 379.082642 62 382.047089 20 384.203522 41 387.114441 27 404.10498 20 411.15036 28 419.183167 18 423.62265 33 435.074799 17 443.08432 19 473.065979 20 475.143677 20 481.163239 58 487.177612 21 488.177399 18 489.189117 20 516.221008 18 543.794312 24 550.192444 17 560.543945 18 561.10321 22 596.561646 18 607.24823 21 665.172852 17 729.266479 19 783.237366 30 814.066895 19 817.292114 17 833.123657 18 840.263916 18 870.934692 26 979.688904 26.000002 988.209412 18 1007.306641 17 1015.017883 20 1092.262695 23 1103.09082 22 1125.626099 18 1129.050537 20 1149.24585 24 1182.399658 19 1182.867676 20 1183.272217 18 1184.862915 18 1195.368042 20 1198.253418 18 END IONS BEGIN IONS FEATURE_ID=300 FEATURELIST_FEATURE_ID=Aligned feature list peak:300 MSLEVEL=2 RTINSECONDS=370.10 PEPMASS=145.06138 CHARGE=-1 FEATURE_MS1_HEIGHT=5.612E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8:1999"] SCANS=300 Num peaks=195 50.715103 18 51.625534 18 53.788197 20 55.618717 18 56.051449 22 56.954487 24 58.029564 170 58.824745 18 59.154629 18 59.96286 27 65.040695 19 65.331131 19 65.390945 25 66.400742 34 67.026245 57 67.346031 18 68.282829 19 70.028328 70 70.047218 20 70.677704 39 72.044472 51 72.322746 20 72.584679 17 73.025703 19 74.024376 1206 74.392815 19 75.003075 21 75.022079 156.724716 75.556602 22 78.19416 22 79.276573 18 81.848404 20 82.029823 394 83.03212 18 83.228699 18 83.937233 28 84.045189 1340 85.029701 250.084869 85.048721 61.566967 85.581261 23 86.0243 419 86.043129 20 86.163147 18 86.616592 19 87.027504 23 88.023529 20 90.029808 18 92.672844 36 93.045723 17 93.910469 18 96.066933 18 96.273865 28 96.283531 18 96.506882 19 97.039719 36 97.704025 17 99.018852 43 99.055725 324 99.544922 18 100.039124 26 100.243973 19 100.798157 19 100.932106 97 101.024704 328 101.072151 707 101.103485 18 102.052612 37 102.073326 94 102.738838 22 102.923958 18 103.038322 187 103.059334 20 107.019051 38 108.031624 18 108.664452 17 109.040398 3771.130859 109.068611 20 109.468842 38 110.021187 18 110.044304 292 110.714661 19 111.337708 20 111.672287 17 112.579109 18 113.429146 27 115.448227 20 116.253326 21 116.802193 22 119.544487 23 126.752144 19 126.998627 18 127.050751 8016 127.481277 19 127.784203 36 128.034912 2657.490479 128.052719 531.115967 128.441818 17 128.617096 29 128.801193 17 128.984985 22 129.018951 807.484619 129.038193 202.391098 129.426132 18 129.551422 18 130.023376 69 130.042267 35 130.557968 19 131.996964 17 132.158676 20 139.698273 22 140.52951 20 142.99585 26 143.901382 28 143.943344 29 144.053741 18 144.363495 31 144.960327 17 145.01532 87 145.061447 8187.166016 145.116821 38 145.89006 35 146.064407 675 147.031174 364.354462 147.065659 97 148.345413 19 149.197647 20 149.572098 18 152.270096 18 153.403748 23 155.659851 21 159.284515 30 167.793335 23 175.560776 29 178.415009 25 187.089462 18 191.609436 20 193.836182 17 198.347122 34 199.636688 18 200.891495 18 206.850311 35 221.449829 20 224.810944 18 225.555771 24 228.147614 24 228.347458 19 231.048019 25 236.121994 23 245.071426 18 251.084915 18 259.476105 22 261.463318 25 261.909393 18 273.580475 22 295.620087 20 299.885406 18 308.900177 32 313.114014 37 313.758972 20 315.842682 24 318.526093 22 319.531677 20 324.592804 17 324.788239 19 327.455658 20 352.825256 18 364.696136 75 387.491394 23 402.898132 18 426.993805 20 430.114166 21 431.073975 18 435.448822 22 441.227631 18 448.962921 17 450.911865 17 466.81424 23 487.173035 35 494.401917 21 596.201599 18 612.489258 36 677.230042 35 754.31897 18 863.940918 25.999998 930.161926 18 985.33374 22 1016.503052 26 1020.575989 20 1057.292725 56 1068.183716 26 1130.584351 18 1146.104614 18 1162.301147 25 1182.668335 20 1197.368896 23 END IONS BEGIN IONS FEATURE_ID=301 FEATURELIST_FEATURE_ID=Aligned feature list peak:301 MSLEVEL=2 RTINSECONDS=370.13 PEPMASS=313.11249 FEATURE_MS1_HEIGHT=1.189E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8:2002"] SCANS=301 Num peaks=85 55.660759 37 67.030426 23 73.02832 18 74.021637 43 84.04483 153 85.037262 51 86.024727 30 101.026512 18 101.072433 142 109.0401 616 110.044395 61 112.699638 20 125.730988 17 127.05127 2799 127.219978 24 128.035568 539.557861 128.053299 88.835617 129.01825 21 129.041748 69 129.056686 17 129.095078 18 130.036545 20 138.075623 17 140.902161 18 142.900696 66 142.993698 22 143.899765 39.046436 143.9133 16.953566 145.010254 18 145.061676 10655.313477 145.478058 19 145.708313 18 145.73288 21 146.041901 41.379814 146.064484 647.916626 146.35202 18 147.020126 25 147.067154 92 149.032135 17 150.972717 50 155.913589 62 156.891891 83 157.909454 36 158.896469 18 158.909134 18 159.894302 35 159.912704 79 160.887436 45 162.025192 20 162.622452 27 167.001328 77 167.046127 117 167.085098 20 168.99054 27 182.946579 25 183.016449 21 197.600723 18 205.089691 20 207.947876 18 222.953278 40 224.95369 18 226.954788 38 229.167007 18 238.946198 18 240.947449 18 241.938354 38 251.936722 33 255.016998 33 255.452271 20 266.139526 19 269.931976 17 270.930023 41 271.024841 18 275.88678 25 295.095032 18 312.17453 17 313.112396 713 313.170563 19 314.15567 17 315.952911 20 320.794556 26 338.970306 18 421.99942 20 439.203644 18 449.588257 19 END IONS BEGIN IONS FEATURE_ID=302 FEATURELIST_FEATURE_ID=Aligned feature list peak:302 MSLEVEL=2 RTINSECONDS=370.48 PEPMASS=487.17755 CHARGE=-1 FEATURE_MS1_HEIGHT=1.493E6 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8:2137"] SCANS=302 Num peaks=408 50.195454 29 51.069893 26 51.696838 20 53.481403 18 53.851044 34 55.017029 18 56.993767 21 57.029552 18 59.013901 1321 60.014725 54 60.455223 18 61.23914 18 61.473568 21 61.914158 41 63.889191 20 65.419136 24 67.02935 53 68.366074 18 69.036407 35 69.973824 22 71.013069 1947 71.049515 20 71.651665 17 71.716141 20 72.015221 142 72.395241 19 72.994461 26 73.028679 1889.819824 73.957077 20 74.024124 197.960449 74.031685 122.358315 74.222 21 74.861366 18 75.011169 48 75.034904 29 75.334587 22 75.569077 20 75.889687 27 77.521713 20 78.211418 27 79.011833 18 80.363251 24 81.035088 330 82.029488 115 82.121544 20 83.01149 307.790009 83.058937 20 83.860107 18 84.015518 36 84.044098 324 84.182953 29 85.013908 24.152105 85.029091 271 85.047813 19 85.311958 19 86.025429 105 87.010239 211 87.03019 24 87.043098 41 87.797241 25 87.958344 37 88.645462 20 89.023911 4352 89.451477 35 90.026146 126 90.534782 18 90.647133 23 91.02282 18 91.031158 28 93.796112 24 94.053673 45 94.232338 18 94.490387 18 95.013603 120 95.184181 35 97.028885 2144 98.033455 142 98.242485 20 98.719269 17 99.009666 36 99.040039 170.240204 99.054962 36.7598 100.722908 21 101.023933 8328 101.072052 513 101.165543 35 101.441742 29 101.482452 18 101.542282 20 101.679947 25 102.027199 353 102.075562 36 102.188454 19 102.529549 24 102.810226 33 103.025772 21 103.040001 41 103.817978 18 106.415512 19 107.03186 40 109.040382 2321.689697 109.536194 17 110.040642 135 110.640022 27 112.981934 44 113.0242 2484 113.27655 18 113.438499 22 114.016754 21 114.029633 62 114.316757 18 114.513893 23 115.038712 752.795044 116.041367 37 118.599144 20 118.962265 31 119.035065 2778.743408 119.357788 20 119.473923 18 119.710655 22 120.037971 115 122.242386 18 123.744804 23 125.02433 532 126.025864 22 127.050705 12115.663086 127.076729 18 127.362701 21 127.452614 20 127.697868 18 128.006989 20 128.035263 2602.362549 128.054153 684.847107 128.28595 23 128.404648 18 128.457855 17 128.752777 17 129.01918 397.141083 129.039597 177 129.057449 175.366791 129.253815 18 129.441284 20 129.548218 38 129.694397 18 129.934204 17 130.023621 105 130.04361 21 130.802124 20 131.034683 733.638611 131.07251 20 131.693542 18 133.048248 74 137.02272 20 137.142868 25 138.05249 20 138.668503 24 138.9375 20 142.596497 17 142.883987 22 142.914719 18 142.937134 55 142.972778 18 143.034134 3294.150391 143.09761 19 143.11525 18 143.471756 20 143.560471 22 143.631042 18 143.725342 18 143.775055 19 143.974182 19 144.039856 225 144.41066 24 144.68895 19 144.746201 18 144.882233 35 144.913651 27 144.931152 45 145.013412 1121.562378 145.061401 112381.765625 145.115982 5238 145.172119 26 145.19545 34 145.234634 41 145.259003 18 145.277298 18 145.342407 41 145.401367 23 145.484268 18 145.523499 18 145.554947 37 145.620041 42 145.679688 18 145.72345 23 145.764404 41 145.842484 107.472427 145.955353 38 146.020126 57.66909 146.064499 8386.367188 146.095749 23 146.156006 18 146.205978 18 146.35704 18 146.514236 45 146.573318 18 146.806595 18 146.87355 21 147.029236 1422 147.065033 1028 147.161957 22 147.183167 25.504169 147.228256 17 147.279633 20 147.373749 27 147.544708 17 147.617447 18 147.755371 18 147.936813 18 148.03096 90 148.059128 74 148.172485 40 148.394424 24 148.452316 22 148.664627 18 148.727097 17 148.845047 18 148.933395 17 149.043961 811.973206 149.142593 18 149.235092 18 149.320297 18 149.526825 23 150.037643 20 150.058716 45 150.206451 18 151.176041 24 151.645706 18 151.821625 24 151.964676 17 152.603195 22 152.738403 20 153.729187 20 154.01329 18 155.033279 59 155.49263 21 156.017654 23 158.439606 18 159.024002 42 159.453934 17 160.808502 17 160.888092 26 160.991959 22 161.045258 17735 161.114136 18 161.246063 19 161.774246 17 161.950958 24 162.04805 1320.911621 162.742416 19 162.760834 23 162.88736 18 163.048508 180 163.210052 32 163.413422 18 163.770477 24 164.345047 17 165.568527 18 165.928238 19 166.143967 20 168.09639 22 168.35437 28 169.59317 18 169.933228 23 172.580185 21 172.883972 17 174.153137 25 176.46521 18 178.76059 19 178.991791 42 179.055511 11685.924805 179.974945 18 180.058228 792 181.059036 190 182.066223 17 182.156372 19 182.238724 20 182.477509 18 183.972794 52 185.042633 41 185.471817 37 186.060181 25 186.968018 27 189.000793 21 193.488373 21 197.557205 18 197.864014 18 198.772415 19 199.493805 18 202.674896 18 204.189102 31 204.456497 20 215.055161 33 215.861252 18 217.801361 22 218.052109 18 220.171295 20 221.065933 11961.632812 221.131439 20 221.709747 17 222.06842 1149.095215 223.069443 117 223.824509 22 223.858917 17 224.06691 18 227.739319 24 227.909103 18 229.373215 20 233.064438 38 234.950333 18 237.965836 18 242.788177 29 245.068039 23 246.697418 20 250.251038 23 251.086075 84 258.89975 18 260.214355 20 263.076111 2306.969482 263.89621 20 264.081451 144 264.951843 21 266.038696 18 266.096649 18 266.153687 20 266.868591 19 269.092346 18 270.924713 18 273.760468 20 278.101593 29 281.086395 1841 282.091553 269 282.862793 22 283.095123 154 286.626221 21 288.527161 25 299.742035 31 300.048767 18 304.167755 28 305.096161 18 305.920044 18 305.999298 18 309.016266 65 310.005524 18 310.99765 58 311.097198 18 311.446594 26 323.096893 37 326.303162 28 336.842377 18 341.108887 1454 342.114044 338 343.054138 18 343.115906 194 344.046295 18 344.510681 22 345.051819 57 354.681 18 360.828552 20 363.702454 34 378.087463 18 379.072601 18 381.895447 39 386.994232 21 404.09967 20 405.789276 17 408.150513 18 412.869904 36 457.525146 18 457.773712 18 462.230896 19 464.715393 20 476.421509 18 476.572083 25 486.332886 18 486.687225 20 487.016235 18 487.177338 4219 487.24408 17 487.282196 37 487.430573 18 488.178436 815 488.482941 20 489.187836 166.509018 490.177734 22 524.703491 18 525.391174 18 542.65387 18 571.217529 22 596.672119 20 623.952148 43 697.611389 22 808.796997 33 829.297791 17 887.408264 17 1062.393066 41 1068.262817 26 1083.221558 18 1184.365234 18 END IONS BEGIN IONS FEATURE_ID=303 FEATURELIST_FEATURE_ID=Aligned feature list peak:303 MSLEVEL=2 RTINSECONDS=370.56 PEPMASS=341.10796 CHARGE=-1 FEATURE_MS1_HEIGHT=1.81E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8:1944"] SCANS=303 Num peaks=171 55.568302 20 57.266209 18 58.457844 18 59.012096 144 60.016155 20 63.275948 20 63.757565 18 64.744232 49 65.436226 23 66.332092 18 66.608208 18 68.120049 18 68.259712 17 70.413681 19 71.012779 448 71.31665 20 73.028076 429.52243 73.283279 20 76.424957 17 77.965691 22 79.789536 20 80.019714 20 81.032433 128 81.664825 23 82.963531 19 83.012138 68 84.743095 32 85.026886 163 85.094635 20 87.006638 22 87.210823 37 87.229385 20 89.023857 422 90.913437 20 91.586014 18 92.086609 20 94.27478 19 95.010826 18 95.183411 28 97.027985 295 97.135689 20 98.032295 40 98.539734 37 99.005394 23 99.171837 18 101.024361 747 101.257111 17 102.029121 18 102.136215 22 102.176552 24 103.511986 52 103.823845 17 104.171188 18 104.757195 26 105.221184 29 113.023079 252 114.626595 37 115.038292 104 117.615974 19 119.037712 56 120.035355 18 122.321159 20 123.583328 20 125.022331 78 126.716423 24 126.80365 18 127.043205 29 129.460129 24 130.776901 18 131.396454 20 131.589615 21 134.776627 18 134.921844 18 135.566116 23 136.968628 18 138.417633 18 141.084488 18 141.818848 24 142.772415 22 143.034134 230 144.043442 24 147.864777 20 148.037689 20 148.334824 27 149.037979 18 149.9897 20 156.080933 18 156.682648 17 156.695923 17 156.735764 23 158.471542 18 159.026764 21 161.04657 500 161.138367 20 162.047028 25 165.819473 17 167.415894 23 170.585342 19 170.758728 18 173.548737 20 174.163315 18 179.052887 162.795334 180.002487 31 183.01268 19 185.28862 20 187.111511 17 188.157883 30 190.791748 20 199.605438 18 201.642212 18 202.092758 23 213.71254 22 221.06842 260.121796 227.627945 20 243.467545 20 243.642807 20 249.517883 21 253.065765 30 262.787628 18 263.037567 22 263.067139 22 264.075165 17 264.393341 20 265.002625 18 271.785248 18 277.001587 20 277.253265 20 277.756897 20 279.670715 18 280.667114 20 287.47879 23 289.505219 22 289.879547 18 291.019989 18 311.157104 20 323.137695 20 323.678772 18 324.401184 17 341.103088 45 344.259155 18 359.896606 18 368.934601 20 372.32608 30 377.070404 19 386.566895 29 398.500824 18 402.646637 19 437.814087 18 439.574707 28 453.058136 17 467.552307 17 487.188995 25 488.195007 18 499.77475 18 535.9729 18 569.212402 20 594.02771 18 683.222412 44 684.22345 20 687.517456 23 715.182251 19 722.210205 20 829.311829 20 830.318359 20 1007.372192 18 1020.333374 20 1048.846191 20 1056.33374 18 1096.791748 18 1181.223755 21 1194.424683 18 END IONS BEGIN IONS FEATURE_ID=304 FEATURELIST_FEATURE_ID=Aligned feature list peak:304 MSLEVEL=2 RTINSECONDS=370.57 PEPMASS=85.02887 FEATURE_MS1_HEIGHT=7.189E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:2535"] SCANS=304 Num peaks=243 50.502346 23 51.205536 18 51.216385 18 51.421871 21 51.638683 18 51.742973 18 52.336655 18 55.572548 18 56.156609 18 56.344864 21 58.593758 27 58.877415 24 58.998417 19 60.587189 18 61.045555 36 61.989998 20 62.407116 18 63.629002 23 64.398262 17 65.448036 23 66.072083 18 67.03196 36 70.129471 18 74.000786 17 74.793396 19 75.577477 19 76.040413 27 77.024712 18 78.870895 24 80.383202 20 80.548897 22 81.124596 18 83.611877 18 86.390991 17 87.972977 18 88.114975 21 89.770103 23 90.7743 33 90.945297 17 91.151123 27 91.659737 22 93.255432 18 94.804375 18 95.7537 18 96.822845 21 98.027267 37 100.248283 18 101.562157 51 101.828293 17 102.221786 20 103.157654 26 103.794678 19 104.704788 48 104.806725 20 105.018105 28 105.393669 18 105.824677 38 105.90731 22 107.437065 25 107.479347 18 108.027077 23 108.912529 28 109.350777 26 109.768745 29 110.766129 18 114.347549 20 115.285202 20 118.521545 18 120.758415 23 120.976349 18 121.231888 18 121.279839 38 123.145493 18 126.402191 20 127.739754 25 129.132309 17 129.85347 38 129.935913 35 131.098877 29 132.455017 29 133.06897 23 134.837509 20 135.064484 38 136.622742 21 136.989731 24 137.294479 31.000002 137.428802 20 139.731003 17 141.607773 39 143.431549 18 143.480423 19 147.725754 18 148.975861 24 151.006744 25 154.87825 18 155.014954 18 155.294891 20 157.373993 18 157.746323 32 158.400742 18 158.657776 28 159.787125 17 163.763046 21 164.34494 27 164.982208 17 165.041138 22 169.667694 50 170.042892 18 170.265762 18 179.50148 18 180.037216 19 184.905746 24 185.70163 20 187.29155 18 187.740616 18 188.248459 18 190.256943 56 190.564636 18 192.017883 18 192.390396 20 192.686203 24 194.527939 31 198.950043 20 199.271484 25 199.298752 35 204.607513 22 205.553314 22 207.049545 20 207.256149 18 208.922836 18 214.646439 18 218.944244 19 228.53801 28 229.364578 29.999998 229.925186 17 231.70314 24 231.842972 20 232.661331 31 240.293686 21 244.722229 18 245.316498 26 245.44281 18 246.873657 20 257.365967 20 259.648804 17 262.053741 20 269.841278 18 270.142029 20 271.782135 18 271.870422 18 277.12616 18 283.594391 20 284.041595 18 285.52887 34 289.403442 17 290.382385 20 290.851868 20 292.056671 22 293.775879 18 299.037415 20 307.651611 20 308.118988 25 311.055237 20 313.407166 43 313.454865 18 316.033081 20 325.80423 23 327.624084 22 328.202301 18 330.395477 17 341.101196 20 350.626068 22 356.032074 20 357.388947 18 365.675446 20 366.105988 25 366.2966 18 372.634125 18 377.091736 31 379.068146 21 381.824371 25 388.108795 18 404.114716 18 407.209625 18 408.74527 22 417.426514 18 420.135315 20 420.321289 18 430.140442 20 431.110413 20 434.478577 18 435.341003 17 442.248627 18 447.314545 22 454.205872 17 454.926025 19 460.057678 18 460.135712 23 492.052856 20 505.089569 17 507.482361 36 527.082886 25 533.84021 26 535.142456 18 553.06366 17 563.044434 33 601.330017 25 630.042908 22 679.283203 18 684.233398 17 705.214783 18 771.731384 18 779.556458 17 811.017578 20 822.279358 18 827.169617 18 828.607117 20 891.46106 35 897.300293 19 903.261353 21 979.077148 18 1003.633667 35 1007.55481 17 1029.310059 18 1034.74292 22 1051.741211 22 1058.160767 26 1072.635132 20 1073.291016 18 1083.286621 17 1115.220947 36 1119.633667 23 1126.748779 18 1135.214111 20 1140.217041 30 1141.142822 18 1161.786499 18 1164.129517 23 1167.179443 36 1180.766724 18 1184.753418 17 1188.779541 17 1191.268311 54 END IONS BEGIN IONS FEATURE_ID=305 FEATURELIST_FEATURE_ID=Aligned feature list peak:305 MSLEVEL=2 RTINSECONDS=370.64 PEPMASS=161.04506 FEATURE_MS1_HEIGHT=1.325E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8:1776"] SCANS=305 Num peaks=179 50.651684 22 51.140247 23 58.032032 17 59.013325 20 59.130352 22 59.255783 26 59.75219 21 61.517574 18 62.518154 20 62.988659 28 64.215996 20 66.467575 18 67.534653 17 68.641129 20 68.777016 18 70.261574 18 71.468491 24 73.031059 18 74.106674 25 74.559662 19 75.494156 25 75.665092 20 76.441879 22 77.092628 22 78.927666 20 79.483765 19 80.242813 33 80.530365 18 82.210251 18 84.264175 24 84.903206 25 85.173088 20 86.814789 20 86.925797 26 87.174072 19 88.845802 20 89.040092 18 89.993439 18 91.036034 22 91.069756 32 91.695343 23 92.415565 22 93.250229 19 93.337692 17 94.938843 18 95.059952 23 95.355576 28 95.980301 22 97.033653 35 97.067932 17 98.863449 21 99.006882 19 100.040985 20 101.024757 20 102.026283 18 103.19976 18 104.155968 18 104.317886 28 104.870995 19 106.358551 33 107.544273 29 108.932281 22 110.334457 20 110.868073 18 111.904045 20 112.656441 23 115.77523 36 116.48616 20 116.929657 17 117.743782 20 118.774071 28 118.988091 39 119.016396 18 120.205162 18 121.241814 18 122.278442 20 122.53508 18 123.344337 33 123.643555 19 124.125389 17 125.162895 27 126.225128 24 127.009224 19 128.810562 18 129.663239 18 130.933685 21 131.23378 28 131.588501 18 136.672302 24 137.875519 18 138.142532 18 139.871078 21 143.403412 38 144.215012 19 144.315842 25 145.182419 20 146.064758 23 147.272018 20 148.292465 18 151.843216 20 153.072632 21 155.580292 22 159.54364 22 159.893936 17 160.444275 18 160.871613 18 161.896912 18 162.032303 21 162.906433 20 163.034561 21 167.443954 20 173.609909 19 177.391006 26 177.44516 20 178.335953 27 181.790359 97 189.43158 19 195.737366 17 198.286942 17 204.167236 20 205.570557 43 214.427475 18 215.835938 24 221.438309 29 227.458786 18 227.773636 24 228.475052 28 235.001297 33 238.69725 20 246.563431 18 247.330078 27 250.8806 30 253.073196 22 253.783035 23 253.978348 30 254.220291 30 257.660217 18 261.62735 20 261.728851 25 262.081299 21 263.653076 27 272.336761 17 274.301514 18 281.706055 25 284.69693 19 295.27298 23 305.350372 20 313.415588 18 314.747223 25 325.412048 18 331.285583 21 336.839874 18 337.651703 44 348.822418 22 350.200897 17 351.434784 19 357.671356 24 364.523804 18 375.19519 20 380.100372 20 384.709503 21 396.006073 19 447.902557 31.000002 449.240875 20 488.174164 19 661.105286 22 686.134949 20 721.175476 27 829.305237 22 904.351196 17 907.452148 27 1038.278076 18 1041.721802 17 1082.334717 27 1087.18689 20 1126.037476 17 1138.979736 18 1150.141602 18 1189.391357 20 END IONS BEGIN IONS FEATURE_ID=306 FEATURELIST_FEATURE_ID=Aligned feature list peak:306 MSLEVEL=2 RTINSECONDS=370.72 PEPMASS=179.0556 FEATURE_MS1_HEIGHT=5.709E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8:1964"] SCANS=306 Num peaks=200 50.873646 17 53.154778 18 53.73634 20 53.753891 24 55.752739 29 56.596188 18 57.44006 18 57.667889 27 59.145054 20 60.101238 19 61.049374 23 61.538342 18 62.721935 33 64.273209 36 65.301277 20 67.148933 28 67.259796 21 69.049095 34 69.696808 20 70.432785 18 72.181412 18 73.022713 20 73.093132 20 73.326942 38 73.819183 23 76.234245 19 76.671425 21 77.145035 26 80.273018 28 80.430817 17 80.635384 24 80.708809 23 81.335434 30 82.541817 18 83.517609 20 83.856293 27 84.00499 18 86.572601 18 89.032402 45 91.169144 20 91.437141 18 93.298248 23 93.804352 17 93.899727 17 95.042091 23 95.675461 24 97.933617 18 98.003876 33 98.215523 30 98.974846 20 101.064156 18 101.198723 18 106.547478 20 108.770653 25 109.027863 26 109.803635 18 110.762184 20 111.649529 29 112.484505 17 112.966408 33 112.987091 18 113.699646 32 115.617043 18 117.557976 19 118.496872 20 118.825348 28 119.411964 20 121.022675 22 121.297058 18 122.232193 18 123.18869 21 124.254692 21 129.467972 19 131.081863 20 131.843628 49 132.843597 37 132.923416 24 134.38147 19 134.885651 25 134.919037 22 136.19249 23 137.032837 20 137.337708 20 137.719742 21 138.588501 20 144.267715 20 145.063385 42 146.064072 17 146.299377 29 148.054855 22 150.813278 20 155.556519 24 156.61438 18 159.89537 20 161.045197 44 161.882492 18 169.32045 19 169.818848 17 170.053253 29 172.053696 18 172.755844 20 172.816483 18 175.226852 20 177.834427 23 178.845047 18 179.905884 21 180.325134 18 181.078827 21 181.815857 23 182.795517 41 191.331818 20 191.969421 18 195.460678 29 199.601456 22 203.020279 39 203.738235 18 208.7995 21 209.704453 36 210.008347 18 213.04689 17 213.560883 38 223.548981 18 225.664886 18 228.299393 17 230.251221 25 239.136429 18 241.658752 18 252.449615 24 258.054016 18 260.433655 18 260.721771 40 267.968079 19 269.991394 18 279.021698 18 279.260529 18 284.281219 20 300.193573 23 306.353912 25 311.582977 20 314.027893 18 321.848938 22 325.443085 19 326.296753 18 328.975555 20 336.204498 34 340.056885 43 344.737793 18 347.953949 24 350.140503 20 365.741547 28 377.081146 75 382.012878 19 385.236664 20 403.260132 23 413.118347 22 417.125336 48 439.550507 18 443.16626 20 461.621918 18 462.234741 20 468.926971 20 481.162811 19 484.627197 19 487.175446 63 488.183258 18 494.667572 21 496.339111 19 497.130096 35 526.008179 25 544.997986 18 558.391235 17 580.78949 21 683.232849 37 684.216736 29 700.938843 18 729.166992 21 745.199158 21 754.257446 17 803.166016 20 829.305237 17 829.590088 20 834.136292 23 836.065125 20 843.223633 18 953.173706 17 955.945679 42 990.086487 17 1029.248169 38 1043.196899 18 1050.298218 19 1090.173218 18 1113.269897 18 1114.107056 23 1121.280884 17 1134.112427 20 1157.669067 28 1158.14624 21 1165.373291 18 1175.091675 18 1180.096924 20 END IONS BEGIN IONS FEATURE_ID=307 FEATURELIST_FEATURE_ID=Aligned feature list peak:307 MSLEVEL=2 RTINSECONDS=370.93 PEPMASS=404.10376 CHARGE=-1 FEATURE_MS1_HEIGHT=3.43E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8:1876"] SCANS=307 Num peaks=188 50.673019 31.999998 51.45166 18 52.832031 20 53.882877 23 54.473518 21 56.515846 38 59.744812 25 61.106796 20 61.987743 8298 62.005486 17 62.098942 18 62.264175 29 62.49229 18 62.525642 18 62.812355 34 62.992664 18 63.637733 19 63.767075 42 64.408134 32 65.056442 20 67.006233 18 71.008759 18 72.269928 27 73.351685 33 74.031258 17 77.221321 17 78.249794 22 80.667267 21 81.067726 18 81.985176 20 83.751228 42 84.623337 19 86.48777 22 87.097748 20 88.07196 19 89.022499 27 89.767883 17 90.667747 25 97.514565 20 98.836136 34 101.023727 36 102.986572 17 104.074066 23 104.539215 22 108.702347 18 109.042969 23 110.52562 28 111.747551 21 114.094124 18 115.200455 17 116.927963 26 117.11293 23 117.531158 18 119.031082 18 123.745773 17 125.656044 24 126.05098 18 126.142441 23 128.032578 20 128.451157 20 128.489502 17 129.661438 24 131.149033 17 133.439423 20 134.018509 28 135.727783 34 137.049667 18 137.610672 20 137.911469 21 140.015289 18 140.033203 20 140.118774 27 141.459686 30 142.018906 18 145.061752 326 145.953873 17 146.611694 18 147.066635 19 147.986679 18 149.046295 18 151.974686 20 153.54393 22 157.493866 18 161.04155 18 163.752655 20 168.272247 25 171.785843 22 172.551636 19 176.089081 19 176.494797 17 176.624054 34 179.054565 97 179.537033 18 181.677078 21 183.59436 24 184.543533 34 185.052124 23 191.033112 23 192.179001 36 192.91095 19 195.078201 21 196.859741 20 198.360657 18 198.702759 21 199.92984 22 200.048096 18 200.831406 18 203.601837 21 203.700409 18 206.870377 28 209.442719 18 215.355774 20 215.41806 17 221.068405 96 227.065643 22 229.066025 28 231.883682 21 234.304321 23 234.40155 20 241.343521 27 243.640182 20 246.616898 26 249.094009 26 255.212387 23 260.464386 18 268.96814 22 279.425659 18 284.321442 18 286.369995 27 287.977478 24 290.093506 29 292.686584 22 297.038757 24 299.184296 25 301.209839 22 304.023865 27 313.117676 80.354195 315.054474 59 315.085846 45 322.382751 27 341.110321 51 343.034058 22 350.481262 40 358.090851 22 376.100128 22 377.077087 47 377.142456 18 387.089447 28 393.763916 18 402.219635 18 404.10257 1205 405.110474 235 405.976196 22 406.109528 39 414.473206 49 415.550354 19 423.054962 18 468.622009 18 468.974426 18 473.918671 23 483.161163 18 487.177765 88 488.091888 17 488.18631 57 503.150696 18 552.862732 18 571.09729 20 657.130188 22 676.268555 18 683.233276 57 769.340515 20 779.203735 17 799.971619 18 804.256042 53.000004 823.284546 18 829.299438 42 830.297791 20 848.793518 20 859.012939 26 869.312866 22 997.354736 20 1025.761108 26 1043.130493 18 1047.274414 20 1112.273193 65 1117.80896 21 1188.176636 26 1197.215942 26 END IONS BEGIN IONS FEATURE_ID=308 FEATURELIST_FEATURE_ID=Aligned feature list peak:308 MSLEVEL=2 RTINSECONDS=371.15 PEPMASS=683.22475 CHARGE=-1 FEATURE_MS1_HEIGHT=1.081E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8:1882"] SCANS=308 Num peaks=97 59.012524 35 60.485374 18 71.011902 142.857712 73.028687 138 75.581184 17 81.032684 75 83.01635 87 87.001556 55 88.91597 25 89.02433 284 90.023079 18 97.02935 345 97.0616 18 98.0298 18 101.024689 1109 101.252914 18 102.027 38 102.633118 18 113.02343 125 114.022888 50 115.010124 47 115.04213 96 117.044388 27.999998 117.152771 18 119.035515 351 125.023476 103 126.02314 17 131.035461 54 137.037827 34 143.036163 602 144.038208 106 148.027176 18 149.039825 38 158.702499 18 160.531723 17 161.045471 4252 161.686691 18 161.998383 20 162.048874 485 162.316269 21 163.051712 37 170.929977 20 179.055786 1689 179.580933 24 180.058212 103 187.656555 25 206.141861 19 211.076202 20 221.067291 954.225281 221.53952 18 222.064392 35 223.077469 20 225.575089 30 243.131927 25 253.186829 18 262.906189 20 263.07547 529 264.084839 36 265.086487 18 271.124786 18 281.087433 392 282.089294 53 282.93689 23 283.090973 19 284.547028 18 288.45282 17 294.208282 22 296.072052 17 323.097412 34 329.937714 18 330.035034 20 339.080688 18 340.202026 35 341.004852 18 341.110931 900.820862 342.111328 147 342.167664 18 343.109039 40 399.033081 27 420.061615 50 421.055237 48 428.741791 17 431.605133 23 440.874603 19 480.078552 20 482.75592 25 487.182251 17 504.255829 20 539.100952 18 606.219788 29 623.214233 18 625.226868 19 677.920105 24 682.832397 18 683.229614 69 685.187195 20 1026.475708 34 END IONS BEGIN IONS FEATURE_ID=309 FEATURELIST_FEATURE_ID=Aligned feature list peak:309 MSLEVEL=2 RTINSECONDS=371.18 PEPMASS=533.13516 FEATURE_MS1_HEIGHT=9.581E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:2343"] SCANS=309 Num peaks=98 55.019356 104 57.036278 105 57.172089 19 58.041592 37 59.013081 87 75.00782 79 83.830109 20 84.012238 17 85.028862 9337.665039 85.161667 17 85.273804 20 85.51461 22 85.550972 23 85.770363 17 86.033379 491 86.054016 17 86.998589 20 87.008362 20 87.035133 68 88.036911 20 99.010765 39 103.00325 161 105.015251 127 106.020401 37 115.06414 25 117.017113 42 120.008469 22 120.653404 22 121.048912 39 129.019135 308 130.99234 18 131.791687 21 134.14505 17 136.726044 23 141.017639 24 143.0401 28 145.010818 17 145.398987 18 147.029633 1389.96167 148.027573 68.987305 148.047577 26.751411 150.055588 107 161.044586 36 165.034073 20 173.683167 18 174.511902 17 175.026993 22 177.480362 22 179.031281 20 188.231644 21 188.351166 18 189.03833 22 190.086716 18 190.399033 52 190.939026 18 190.97319 22.080391 191.018967 27250.351562 191.056519 47.1521 191.079391 37 191.328064 26 191.707336 20 191.945038 40 192.023178 2043 192.055359 26 192.575043 18 193.03273 1982.167114 193.072403 179.972931 194.039017 79 194.072845 37 194.483551 17 194.833694 20 195.049408 18 195.29776 21 195.966843 20 199.986725 39 200.963135 23 202.86174 20 209.342972 30 218.038345 43 219.04007 25 221.049927 27 227.073822 18 236.976578 17 255.095627 18 300.055023 20 320.074249 21 326.681793 17 386.105042 24 387.1987 30 397.461395 18 401.932617 18 415.83609 29 416.058563 27 423.820007 23 533.136414 28 533.786804 27 535.133057 23 537.180298 20 END IONS BEGIN IONS FEATURE_ID=310 FEATURELIST_FEATURE_ID=Aligned feature list peak:310 MSLEVEL=2 RTINSECONDS=376.20 PEPMASS=337.0767 FEATURE_MS1_HEIGHT=5.783E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:2390"] SCANS=310 Num peaks=252 50.388874 18 52.693737 18 54.740467 21 55.765995 20 56.729561 22 56.806252 18 57.519577 18 57.629234 26 57.684429 22 58.117958 26 59.013744 36 59.374538 21 59.42408 21 60.958954 25 62.750603 27 63.191826 48 63.214928 18 65.885559 18 66.520767 21 67.896614 23 68.507683 19 68.545578 19 68.914268 20 69.035591 20 70.013916 18 70.717392 20 71.009109 39 71.926811 32 72.85498 22 72.988213 18 74.693771 18 75.01001 53 76.011497 20 76.117264 19 78.194588 21 78.87603 27 78.942818 18 79.101006 17 79.335876 23 79.909164 20 80.303429 22 81.031029 18 82.009964 18 82.97905 19 85.029762 54 85.5131 17 85.926514 50 86.13018 18 88.262604 21 89.027107 72 90.400627 20 91.419456 17 93.627441 17 97.028412 66 98.031914 23 99.014877 20 99.381165 17 100.010468 22 100.161812 17 100.28141 21 101.02523 35 102.032188 54 102.417809 18 102.896507 52 103.036133 17 103.14521 38 103.489433 18 103.803398 18 104.735184 20 105.012718 18 109.027924 23 109.038849 34 109.717216 18 110.017067 20 110.3396 38 113.029015 89 113.283089 20 114.034241 20 114.580269 18 115.005219 194 115.826393 18 116.932503 18 119.169159 20 119.414665 20 119.437195 22 119.851845 20 121.486115 18 125.023949 78 127.286964 17 128.489182 20 129.46904 24 130.022812 32 133.668198 20 133.737579 31 135.036911 20 135.970245 24 136.082367 18 136.983475 18 137.984604 17 141.017426 102 142.083649 24 142.943176 20 143.076309 28 145.062378 50 145.887054 20 146.006622 18 146.895004 17 150.436172 17 151.407364 20 151.89061 24 152.716949 22 153.012909 26 155.141449 18 155.236725 21 156.07547 51 159.033615 49 159.618088 82 159.856308 18 164.977402 20 167.030533 18 168.043823 21 168.192017 39 169.027649 42 169.974548 19 171.262985 21 174.014954 1378.415283 174.247147 22 175.027069 200.160675 176.023346 24 176.291046 20 177.027786 17 179.052521 31 180.774948 18 180.953232 20 181.543671 18 189.040359 38 194.463425 21 197.024902 17 197.925293 17 199.822876 21 202.896744 20 203.647919 18 204.0177 33 204.551819 26 204.970261 17 211.967056 18 216.420883 17 218.994461 18 219.224243 18 219.775513 24 220.05835 20 226.96788 22 228.5336 23 229.037125 44 233.071823 18 234.858124 27 238.11055 28 238.302414 31 239.445969 20 243.697922 18 243.71991 18 244.16214 23 245.949524 20 248.26561 22 251.827942 25 253.031342 24 272.090363 18 277.063293 85 277.954529 24 279.072937 25 280.435638 21 282.642822 65 285.077148 40 285.925262 22 286.077362 22 287.057617 18 289.981232 20 290.812775 24 292.232788 18 295.09079 28 296.665314 21 298.9375 17 300.100983 24 306.097992 20 309.103027 19 316.157227 26 316.422394 18 321.633301 20 321.949005 18 336.060608 20 336.901123 18 337.077606 2476.192871 337.177734 18 338.078705 336 338.174866 20 338.222809 23 338.575928 18 339.198486 90 340.082855 21 340.204071 86 341.054504 18 347.242432 17 348.30072 23 351.453186 23 361.686584 20 374.44397 18 377.07486 19 382.134735 18 390.811096 19 404.11145 18 413.950653 18 417.66748 25 426.00946 21 444.576447 18 450.760895 17 451.114319 18 459.046539 18 473.148529 38 487.155273 24 520.334717 18 533.145203 21 540.077209 21 576.937073 28 580.823975 20 584.354492 20 593.144958 22 595.20282 18 596.244202 18 605.207703 18 615.436523 22 641.210327 18 663.211914 18 685.940002 18 697.840454 18 726.187744 26 750.833923 20 761.138733 17 826.45813 17 829.297424 30 1009.681091 22 1029.092407 20 1029.646973 19 1042.591187 18 1066.205811 19 1125.108521 20 1128.209229 42 1147.292603 27 1151.147583 25 1152.728882 17 1185.158325 22 1190.047974 20 1195.482788 23 END IONS BEGIN IONS FEATURE_ID=311 FEATURELIST_FEATURE_ID=Aligned feature list peak:311 MSLEVEL=2 RTINSECONDS=376.48 PEPMASS=285.08152 FEATURE_MS1_HEIGHT=8.557E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8:2195"] SCANS=311 Num peaks=75 58.029331 20 58.454082 18 64.135765 20 70.028984 63 71.022789 131.16481 72.008926 77 82.693535 20 87.010788 27 88.041039 19 91.01918 22 95.025337 172 96.010071 25 96.026329 19 97.030655 25 99.921051 45 104.424072 21 110.940636 23 112.714394 18 113.034866 1948 114.019562 1197.484009 114.044693 40 114.107941 19 115.003922 38 115.025642 44 116.025604 22 118.013542 24 124.040428 18 124.956444 34 127.078781 18 128.361404 35 131.046051 4452 132.045837 226 132.910568 18 133.01387 49 133.048767 87 140.051773 29 143.707916 21 144.898102 22 149.667709 18 153.026535 81 154.018326 18 155.953384 37 156.885605 23 157.079636 21 168.969666 18 172.031616 22 180.794891 17 184.116455 24 186.035065 18 188.996506 18 211.874802 24 212.559723 19 214.055832 20 224.976181 70.479843 234.79364 18 241.673462 25 245.847382 18 249.057693 18 263.169617 18 263.692413 19 267.071533 18 268.070557 18 277.704651 20 281.605865 58 285.08551 161 285.121979 18 286.083862 17 289.122467 21 291.698517 25 322.730133 17 357.945129 20 450.899719 18 523.823608 23 848.788269 22 890.021912 19 END IONS BEGIN IONS FEATURE_ID=312 FEATURELIST_FEATURE_ID=Aligned feature list peak:312 MSLEVEL=2 RTINSECONDS=376.76 PEPMASS=131.04576 FEATURE_MS1_HEIGHT=1.088E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8:2197"] SCANS=312 Num peaks=210 52.018276 21 53.001434 23 53.427933 18 55.873596 24 57.620785 20 58.027512 18 58.640987 25 61.420071 22 62.788155 20 62.845436 23 63.073044 20 63.630589 18 63.89423 18 67.436424 21 68.248032 17 68.566696 22 68.721672 18 69.488426 20 70.030128 215.004562 70.586739 26 71.015976 46 71.027664 19 72.008591 313.840393 72.031898 38 72.93132 20 72.991432 20 73.009499 20 73.432762 24 73.484024 17 74.448257 28 75.1036 25 78.752739 20 79.119949 18 82.131325 18 83.047462 18 83.931862 19 84.008698 19 84.245926 18 84.34108 18 85.889565 20 86.021538 21 87.01725 31 87.05732 23 89.023712 18 91.929413 18 91.944786 19 92.647247 18 92.90239 60 94.022881 17 94.752708 23 94.786957 23 95.02565 396 96.208275 18 96.951645 20 97.016289 22 98.526978 21 100.932945 20 101.485695 36 104.926506 18 105.524231 26 105.53495 18 106.333961 18 107.964417 20 108.003014 18 109.434265 20 110.362656 17 113.035324 1728.481079 113.757561 21 114.019104 2156 114.641418 36 114.982033 19 115.024529 157 115.296722 18 115.730225 23 115.925911 52 116.019218 18 116.532425 18 117.382736 23 118.647369 20 118.701088 22 118.8237 18 118.879921 28 118.979523 54.000004 119.40197 17 121.385574 18 126.31044 20 127.240097 30 129.318817 18 130.095642 27 131.046143 1327 131.244781 25 132.023163 24 132.20163 29 132.864502 71.651749 132.900467 24 133.021988 26 133.048569 109 134.052917 23 134.746185 18 134.861954 54 134.911102 22 136.158264 24 136.289764 30 136.332275 19 139.439026 19 140.22728 36 141.742065 18 142.11647 19 143.076141 21 145.011124 25 145.163574 18 147.067856 18 148.344193 30 149.478104 18 151.04248 30 151.484909 28 153.07045 41 154.496323 19 160.441055 18 162.300735 18 164.76149 19 172.490723 21 175.329391 20 177.128952 20 178.243347 20 181.000977 18 184.865219 18 186.597275 45 195.324036 36 195.544495 21 198.285141 20 207.031464 23 211.731857 18 212.23082 19 213.656693 20 216.024902 30 221.512161 18 223.387283 31 228.737778 18 231.829453 25 232.031204 18 234.783646 20 237.836731 18 237.936157 18 240.259171 22 243.41861 20 249.01619 17 262.947388 18 264.585815 25 265.656006 21 266.271362 26 274.391846 20 281.083038 20 285.09021 29 285.637512 31 289.19809 20 305.616608 25 305.7388 17 306.460419 19 311.092834 17 313.172607 22 314.211487 17 314.79187 34 315.253235 19 316.22641 23 318.026459 18 326.717529 18 327.585388 19 335.72876 26 337.070496 26 341.112061 21 351.296906 45 352.312927 21 377.086975 28 420.785736 18 428.220642 18 439.118011 18 439.284271 18 459.145782 18 473.139282 23 473.178497 24 509.156921 23 560.741638 18 584.16571 17 602.008484 18 630.164368 22 662.228088 29 698.345581 22 808.121155 19 819.251526 26 929.092224 17 948.176453 18 991.303772 22 1005.205444 23 1030.053223 17 1031.044434 22 1041.070312 18 1062.232788 17 1089.125732 18 1105.34375 17 1112.157715 19 1118.337158 19 1119.034912 26 1136.417969 20 1141.183105 22 1146.177979 17 1161.621948 20 1170.657349 18 1173.337646 18 1198.210327 18 END IONS BEGIN IONS FEATURE_ID=313 FEATURELIST_FEATURE_ID=Aligned feature list peak:313 MSLEVEL=2 RTINSECONDS=377.64 PEPMASS=473.16222 CHARGE=-1 FEATURE_MS1_HEIGHT=2.432E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8:2208"] SCANS=313 Num peaks=313 51.614666 19 52.422794 32 52.882854 22 53.181732 27 53.283928 21 53.845001 18 54.372013 19 54.457916 31 55.02042 20 55.688358 17 58.409119 22 58.819183 22 59.012806 129 59.769489 17 60.444229 18 61.042923 18 64.021759 31 64.110298 29 64.675613 29 66.304688 30 67.330849 18 67.552979 20 67.711281 22 67.748131 18 69.478683 27 70.591713 29 71.013351 221 71.024254 61 72.008354 118 73.027573 61 73.343071 18 74.028793 40 74.294495 19 75.154701 20 76.298668 22 78.264076 23 78.854439 19 83.316742 17 84.102669 22 84.160851 24 84.481834 18 84.524712 20 85.03067 51 85.877808 41 87.401711 29 87.656677 22 88.051353 21 88.50943 38 89.024223 506 89.480087 18 89.490898 17 90.030106 20 90.496033 18 91.650261 20 91.883377 22 91.967804 20 93.022041 21 93.059128 17 94.019737 27 95.026337 132 96.010033 17 96.026962 26 96.063225 20 96.686615 23 98.833221 24 101.024803 488 102.329849 24 103.314919 21 104.036064 56 107.759865 21 108.778412 17 109.192024 22 110.747757 40 113.034256 4359.094238 113.272629 26 113.331917 20 114.018745 1961.380005 114.167412 18 114.785263 17 115.00428 85 115.024376 152.507416 115.043205 76.045471 115.619637 22 116.025536 27 116.326187 18 117.318993 20 117.973961 20 119.036438 169 119.612579 18 119.797279 18 119.947433 20 120.038963 45 120.819138 18 122.856056 18 124.659409 18 124.852325 24 125.026047 40 126.108147 18 127.052315 21 127.265167 18 127.674522 31 128.954849 18 129.15065 18 130.576965 20 131.045639 27536.566406 131.072388 19 131.101105 53 131.211212 18 131.265518 29.999998 131.304108 18 131.414719 19 131.712616 18 131.747086 18 132.049515 1810.151123 132.241501 18 132.308197 37 132.409485 17 132.45903 19 132.638046 20 132.860931 18 133.014755 215.090988 133.051788 175 133.335815 19 133.521118 19 133.850357 39 133.903671 18 134.545151 21 134.771561 18 135.028763 37 136.835373 18 137.860565 28 138.286194 23 138.715347 18 139.743683 17 140.953323 20 142.405045 18 143.030792 55 143.420441 28 144.911362 22 145.794144 18 146.934494 19 148.765228 30.999998 149.047531 96 150.257416 22 154.21431 18 156.166489 22 158.057053 26 158.325226 22 158.364365 18 161.044815 1013 161.451324 24 162.042618 112 162.841705 28 163.061264 19 165.378891 25 166.01474 19 167.08905 20 167.200653 24 175.025833 18 175.220062 24 175.271622 26 176.532379 22 177.208832 23 179.055649 1069 179.121689 20 180.058212 72 180.895798 18 181.053146 32 181.312622 27 183.74646 25 185.042694 27 186.218674 21 186.823563 23 188.087296 22 190.672882 20 193.006119 18 193.24588 18 196.059479 20 197.099319 40 197.69783 19 200.058655 18 200.095779 17 200.363739 19 200.545914 18 202.028809 21 203.05986 23 208.982071 21 211.976593 18 212.94986 29 214.992462 18 215.293762 29 216.025452 39 218.355591 22 219.429199 18 221.06572 1125 222.07341 68 222.278244 18 222.985565 17 223.077133 44 223.64563 18 225.059113 18 225.153824 22 229.677216 18 233.055481 27 234.294067 18 235.045013 36 239.852127 20 240.059906 22 249.881897 20 253.292618 22 256.177521 22 258.070099 38 258.288391 19 259.534882 27 260.634674 18 263.077057 233 264.080536 45 265.939819 18 266.202209 18 272.207703 18 274.57077 22 276.96405 21 281.089142 65 285.079102 35 286.094208 22 290.783264 17 294.946198 17 297.058777 18 299.094879 21 299.872803 20 300.16864 22 303.741943 36 310.998169 23 314.22171 21 320.055359 27 320.124695 18 323.106934 18 324.358826 22 325.531586 17 332.096893 30 332.420288 22 336.016388 22 338.906067 20 340.194183 21 341.00769 18 341.104736 214 341.490082 23 343.119995 234 344.081635 23 344.12088 18 352.131775 22 354.688965 34 359.009674 18 365.002869 20 369.117432 18 371.074982 18 377.078094 41 379.082367 17 380.081757 27 382.904175 19 383.005219 19 404.099396 40 405.121857 25 409.201263 30 415.566315 18 423.045441 17 424.241333 23 425.995758 18 428.079346 19 453.124603 17.999998 472.223297 23 473.163452 579 474.167816 204 475.185699 82 475.238403 18 476.183105 20 485.57901 20 566.600403 27 581.037109 26 620.282288 19 636.18103 17 651.050964 20 669.849365 22 743.046997 17 757.017883 17 781.091431 20 807.190063 39 826.192444 20 828.160461 19 858.129517 18 887.115356 21 892.111938 19 953.447205 17 957.156189 22 959.248169 24 977.132446 18 1010.178833 20 1045.16748 18 1067.237671 17 1076.872925 18 1087.216309 19 1099.601685 29 1101.258911 28 1105.062744 31 1127.297485 18 1128.134155 18 1129.259033 22 1150.983765 24 1166.268188 18 1171.212891 18 1187.030396 21 1197.19751 22.000002 1198.303467 18 END IONS BEGIN IONS FEATURE_ID=314 FEATURELIST_FEATURE_ID=Aligned feature list peak:314 MSLEVEL=2 RTINSECONDS=378.47 PEPMASS=230.11407 FEATURE_MS1_HEIGHT=8.566E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8:2391"] SCANS=314 Num peaks=294 50.559315 45 51.939842 20 52.447304 28 52.464455 18 53.313538 20 53.45536 18 53.895473 19 55.113239 18 56.752937 18 56.856422 18 58.030365 75 58.560509 18 59.629555 18 59.791756 20 60.359676 18 61.773766 18 64.266846 20 65.244492 18 66.434341 18 67.017845 19 69.950157 37 71.018959 20 71.282707 19 72.046219 37 73.041367 18 74.022491 309 74.094429 63 74.173447 17 74.534492 18 74.857346 26 77.637344 18 79.207176 17 80.030457 19 81.376381 18 83.931259 21 83.952957 18 84.687843 17 85.163795 18 85.946335 36 86.947678 19 87.567581 18 92.993484 38 93.780266 27 94.615517 18 94.944618 18 95.590523 20 96.044571 18 96.154037 23 96.937683 22 96.968132 18 97.039795 30 97.945946 651.771118 98.06562 25 98.327454 21 98.953957 308 99.005692 17 99.090836 18 99.952774 86 100.95665 34 101.023018 21 101.134514 18 102.318764 19 103.529633 36 104.035263 1463 104.939308 18 105.016403 20 105.039474 49.560951 107.057632 18 109.027573 22 109.071426 17 110.060905 232 110.083092 18 110.60891 18 111.945061 18 112.034454 18 112.936081 19 113.941666 210 114.044006 22 114.07756 18 114.949577 28 115.052025 59 115.093849 23 115.850273 27 116.999237 25 118.467743 22 119.95314 33 123.95713 18 125.021996 20 125.071968 46 125.641441 18 125.941437 18 126.056465 236 127.049614 38 127.087509 941 127.872787 18 127.936058 40 128.087677 58 129.002777 18 129.019943 63 129.937195 509.101288 130.931473 52 131.936264 18 132.211411 18 136.949707 18 137.029861 17 138.341568 20 139.039291 19 139.083817 20 139.937393 18 140.925018 18 140.950073 22 140.968781 20 141.106674 40 141.390686 19 141.937759 478 142.101715 18 142.196136 24 142.942383 489 143.08316 140 143.949814 347.27832 144.084824 20 144.114365 209 144.354507 29 144.957047 58 145.065765 23 145.098099 22 146.967941 18 147.849564 18 150.95546 22 151.040619 23 151.150696 18 152.079193 20 153.861221 22 156.878204 18 157.931564 836 159.929306 37 160.11438 18 161.220795 22 164.075699 20 167.090225 27 167.577774 17 168.104645 20 168.404129 19 169.097168 405 170.015381 28 170.094376 63 171.075684 62 171.144196 20 172.08461 26 173.016937 20 173.080261 35 173.112991 18 176.599487 24 176.648849 19 179.018616 32 180.475143 20 182.98761 19 183.008041 18 184.011566 29 184.933075 97 185.103333 17 185.333267 17 185.925552 22 185.964188 20 186.127625 18 186.934586 300 187.81778 18 187.941635 366 188.105515 932 188.94516 59 189.102814 120 190.867752 21 192.023376 18 195.085999 22 196.054413 39 197.384445 30 201.049393 18 203.0159 20 203.108398 24 203.910583 18 206.314667 22 208.434723 20 208.716766 23 210.030136 20 210.807556 29 211.445404 22 212.104004 160 212.252045 37 212.536285 18 213.04509 27 213.089172 132.882874 213.124237 18 214.157532 19 214.382828 18 219.765945 22 221.725204 38 227.337418 25 227.644836 23 229.64592 20 230.114365 1797 231.008728 50.435238 231.05777 145 231.118042 69.580574 231.931808 118 232.080353 17 232.11261 40 233.029037 56 233.099808 20 233.743073 18 234.333054 17 235.73999 42 236.312164 18 245.306519 17 249.938324 30.999998 252.079437 21 255.472977 24 258.780396 38 281.243713 17 282.150787 20 285.918823 20 294.567169 28 294.810181 23 300.536255 24 304.580505 17 305.747009 18 315.98407 23 317.693604 23 324.910706 18 327.492889 33 330.397614 18 331.07724 18 333.564545 18 336.232422 22 337.938171 21 341.101471 20 351.053162 20 357.150848 18 364.043182 31 366.127777 25 379.081482 19 389.944397 19 390.642883 24 392.917877 18 394.204803 19 394.76767 18 395.831635 18 397.853394 29 404.093292 23 407.104431 20 425.144012 28 432.054352 17 443.085815 17 444.023743 18 452.107452 21 473.160431 40 489.216339 17 501.45462 29 512.66449 25 523.060852 51 582.201294 18 593.978943 21 602.072876 22 633.109253 26 689.413818 24 719.159485 18 732.980225 20 751.130493 18 831.245178 20 842.168823 22 855.309387 22 881.107727 20 899.089111 21 901.046997 26 955.125061 18 966.483521 20 986.211304 22 1016.136658 18 1045.251831 21 1051.175781 18 1053.237427 22 1103.299194 19 1105.161011 27 1109.967041 24 1110.21582 18 1119.166016 19 1119.996094 22 1140.75647 18 1144.722778 20 1150.258179 18 1159.09668 47 1163.567383 26 1167.143921 19 1179.677612 29 1198.708252 18 END IONS BEGIN IONS FEATURE_ID=315 FEATURELIST_FEATURE_ID=Aligned feature list peak:315 MSLEVEL=2 RTINSECONDS=379.04 PEPMASS=85.0288 FEATURE_MS1_HEIGHT=5.61E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8:2361"] SCANS=315 Num peaks=206 50.140228 17 50.926266 26 51.255692 17 52.314743 17 52.880943 28 53.2962 20 55.0709 18 55.22052 18 57.062122 20 57.931229 28 58.108143 22 58.199486 18 60.116714 43 61.474892 39 65.689636 18 67.086555 24 67.634056 61 67.673943 18 67.683304 18 67.708885 23 71.02066 20 71.916504 24 72.310486 18 72.332153 18 73.469948 18 74.850128 24 75.376839 22 75.539368 22 75.604561 19 76.201691 20 76.260414 20 76.591034 18 78.311897 18 79.420197 21 80.575043 18 80.590057 20 80.864265 19 82.008965 20 83.308838 26 86.466789 18 86.559975 18 87.08329 18 88.069473 38 91.115044 20 91.483887 18 93.016388 24 94.978828 20 96.081528 23 103.46981 20 103.722778 25 105.084496 20 107.189934 29 109.143738 25 109.702927 20 110.667053 20 110.93985 24 111.976578 17 114.076767 21 116.559135 18 117.692375 25 117.889587 19 118.399139 55 119.197639 17 119.283951 18 119.949226 21 121.441017 17 122.293976 18 122.954231 27 124.086906 20 125.523125 18 125.943237 17 126.705093 18 129.015686 20 129.240234 17 129.670502 22 130.264526 18 132.3759 23 133.04274 18 133.075027 18 137.855621 17 138.47197 17 139.743393 28 140.039688 23 141.147263 20 143.964874 27 148.70903 18 152.702423 40 152.849884 17 153.303223 17 159.027908 21 159.436859 22 160.940948 22 167.92865 17 172.843277 20 175.314819 20 176.126648 18 176.161514 25 176.404312 27 177.0271 49 178.125107 68 179.05394 18 181.632996 23 187.913193 20 188.171921 23 189.461868 18 191.018295 18 191.41275 18 191.764816 18 191.828217 20 192.309998 37 192.565277 20 192.940659 18 193.423279 29 194.891357 21 195.931808 21 198.813187 48 199.872757 25 201.43602 19 206.120087 17 207.469101 18 208.975586 27 211.819733 39 212.989624 43 213.421387 18 214.577805 18 216.024414 58 223.855225 18 226.222 18 228.285645 18 228.539444 19 233.37999 17 236.593796 43 239.493988 20 240.431793 20 249.356461 18 256.27594 22 265.953705 28 271.012726 18 272.996552 27 278.869476 17 281.259644 22 283.761292 22 284.71994 17 285.536438 18 286.903992 20 292.71756 26 301.68512 22 307.987701 20 315.018188 18 318.626801 20 326.483032 19 328.611145 25 331.372192 18 331.469971 24 337.067902 18 340.7164 21 344.248291 19 345.000977 26 345.179962 20 349.978424 18 361.948547 18 371.808716 19 373.324402 24 388.515442 20 389.977051 38 395.086395 25 404.108673 19 405.033783 19 405.375488 20 415.142212 18 415.948151 30 446.482452 18 473.161591 17 477.107605 19 487.190582 51 501.017181 18 506.540405 18 533.127563 47 548.113464 18 580.067749 17 667.451416 25 669.115051 22 761.468079 25 781.087952 19 819.203918 21 819.295227 29.999998 832.682251 23 969.175354 22 970.015442 33 987.217285 19 999.980835 18 1003.094727 18 1014.985779 20 1029.377075 19 1034.277954 17 1036.68811 21 1058.688477 20 1108.245728 20 1126.27063 17 1141.299438 17 1157.80542 22 1160.314331 17 1161.431152 20 1172.237549 28 1175.588867 20 1184.313354 19 END IONS BEGIN IONS FEATURE_ID=316 FEATURELIST_FEATURE_ID=Aligned feature list peak:316 MSLEVEL=2 RTINSECONDS=379.08 PEPMASS=231.05892 FEATURE_MS1_HEIGHT=6.412E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8:1952"] SCANS=316 Num peaks=115 53.955082 17 55.329079 21 61.986172 18 62.990643 17 70.132324 22 74.02433 832.468384 77.018669 18 78.313927 21 82.026131 39 85.943657 95 87.074738 18 92.556664 18 93.705757 19 94.026978 22 96.936752 17 96.959167 18 97.946548 480 98.954063 349 98.987144 18 99.006531 17 99.946304 41 100.95372 22 101.972122 22 104.034676 3354 104.177704 18 105.038818 308 105.342438 18 106.038574 40 113.367828 34 113.942223 188.551285 114.041496 24 115.090431 30 121.814354 21 126.016693 39 126.055481 82 126.839844 18 127.058037 40 127.088989 296 127.943222 37 127.997208 18 128.098434 40 129.014786 18 129.937302 211 130.102844 21 130.934921 21 131.986206 25 137.27948 19 141.454071 18 141.937546 217 142.101059 20 142.943375 340 143.300095 27 143.948593 181 144.080353 24 145.057343 44 145.090363 21 146.070145 69 146.104752 20 146.930389 21 147.641953 22 149.040894 17 151.084579 17 151.143936 21 155.929657 18 155.944382 38 157.931046 398.119873 158.928543 45 160.100723 20 160.893768 24 161.995758 18 164.039719 21 169.093475 75 170.092682 42 171.048843 20 171.075012 25 171.249466 17 172.734879 21 174.935883 20 175.05069 26 185.935226 77.40126 186.93338 362 187.940231 222 188.103897 206 188.941864 25 189.098633 45 194.091263 33 201.048172 33 212.106049 127 216.798096 18 230.116928 290 231.026489 17 231.055084 55 231.117767 53 233.032547 59 235.997849 28 249.858521 25 272.519012 26 274.342773 20 276.819672 18 282.883606 18 298.028931 24 336.522156 50 361.801025 20 363.685272 27 386.708862 21 395.522705 18 408.941589 20 466.998108 17 476.002686 23 519.798401 20 540.420654 22 559.169983 18 579.573547 18 680.670471 26 1065.196045 24 END IONS BEGIN IONS FEATURE_ID=317 FEATURELIST_FEATURE_ID=Aligned feature list peak:317 MSLEVEL=2 RTINSECONDS=379.61 PEPMASS=314.12433 FEATURE_MS1_HEIGHT=5.391E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:2420"] SCANS=317 Num peaks=225 50.352062 25 52.1464 18 53.598221 21 53.652599 21 57.753902 35 58.506413 20 58.753078 17 59.010334 18 61.988735 25 62.866829 18 65.133606 32 65.345222 18 65.641396 19 66.079964 18 67.60984 17 70.27404 18 71.820679 18 72.005112 18 73.028946 23 73.210274 18 74.70961 18 75.010292 19 75.59613 29 75.855125 18 77.146942 26 78.081238 24 78.976212 19 79.865128 18 83.014198 18 85.028641 95 85.771965 18 86.033333 41 87.002235 18 89.827339 17 90.174019 18 90.857124 18 95.983025 41 98.906296 18 100.664803 28 101.005882 31 104.035385 70 106.760918 34 109.048103 18 109.733719 18 110.515541 20 111.214836 24 111.640305 20 111.999321 21 113.033936 17 115.449753 34 116.046295 20 116.744049 18 118.733368 23 119.03289 23 120.701607 19 122.037781 260 122.579346 20 123.043144 42 124.047684 29 125.017204 17 125.418396 19 126.516251 24 126.551109 18 126.676025 28 126.937386 24 127.745949 20 128.585022 17 128.952042 20 131.14447 29 132.63913 31 134.584305 18 135.133438 29 136.667053 18 137.018829 24 141.129776 18 141.913025 20 143.782104 24 144.880356 23 145.061829 46 146.146988 20 147.025085 18 147.527084 23 147.946518 17 148.056259 18 150.335785 18 150.451035 18 151.394852 24 151.855942 17 152.071548 4040.286377 152.335419 18 153.026947 18 153.072937 480 153.099045 17 153.457397 18 154.075241 21 154.47197 18 154.647903 18 155.667389 26 156.594864 17 156.742004 22 158.29747 18 159.198273 20 160.167984 22 163.264877 18 164.964249 23 166.11116 18 167.946915 18 168.948486 17 169.009552 20 171.577209 18 173.597382 17 178.369812 20 181.974014 18 182.617065 18 184.712082 19 187.382523 19 187.460815 18 187.945099 36 189.016647 57 189.089371 61 191.019409 72 191.367981 22 193.637039 18 193.934006 19 197.613983 27 198.957367 19 204.930237 19 208.122391 23 211.067657 53 211.649582 20 223.046066 28 223.353409 20 224.901505 23 225.04837 18 225.455154 20 230.112167 22 233.142471 18 235.178558 24 239.567535 54 245.536621 18 248.052963 18 253.485672 17 256.012909 19 257.099182 18 261.164001 25 261.903259 18 267.421173 17 268.62677 18 280.687408 20 283.952972 18 284.044647 17 294.031647 21 298.815674 17 304.109039 17 314.117065 17 314.136322 23 315.125336 68 316.026611 18 316.182678 18 317.790985 20 331.676544 33 332.825134 17 338.595032 18 344.492706 17 359.693207 18 363.098236 24 365.139008 18 365.842316 18 374.128601 17 377.072693 18 378.095642 25 381.09436 18 384.852386 18 390.129211 25 393.02951 20 393.390991 18 404.105591 22 405.774323 18 417.215576 27 419.021088 17 427.715515 18 450.163086 28 487.165283 24 493.979736 20 503.272827 32 511.254669 19 518.785767 43 534.123291 18 539.131409 22 549.169128 18 618.120972 20 632.213318 20 635.302307 17 636.63147 28 637.059387 30 648.112244 18 651.157166 24 660.5578 18 679.014099 18 717.917236 19 731.015503 18 803.18689 17 806.114685 20 819.993591 17 844.114746 18 859.085327 22 872.166382 20 874.883179 18 903.048157 17 913.718445 18 931.269531 65 946.078613 17 959.490051 23 975.116028 18 1000.161926 24.000002 1026.116333 30 1026.558716 20 1053.764404 18 1099.171143 20 1109.098633 20 1146.685425 17 1181.633545 18 1193.657471 20 1197.66394 18 1197.722534 18 END IONS BEGIN IONS FEATURE_ID=318 FEATURELIST_FEATURE_ID=Aligned feature list peak:318 MSLEVEL=2 RTINSECONDS=380.00 PEPMASS=446.15105 CHARGE=-1 FEATURE_MS1_HEIGHT=2.826E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8:1946"] SCANS=318 Num peaks=244 50.797176 18 51.376007 20 55.017761 32 56.016819 34 56.863419 17 56.999638 21 57.929344 20 59.014057 564 59.288788 17 59.703377 18 60.014725 28 60.523357 19 61.176228 20 61.291172 22 61.98785 34 63.467041 19 65.933014 17 67.085571 18 69.051872 30 69.758751 18 70.4282 28 71.013367 700 72.015854 17 73.029381 626 73.169121 22 74.024101 716 75.028358 48 78.324173 18 80.356918 20 80.953041 17 81.035339 51 83.013512 261 84.020615 18 85.028503 77 85.1987 26 86.027908 26 87.009567 102 88.046555 18 88.325104 18 89.023804 1522 89.042274 17 89.070267 18 89.576454 22 90.031364 17 90.283424 22 90.476425 22 90.944481 40 91.087318 35 92.418724 26 92.929749 45 95.015045 143 97.029282 782 97.61702 50 97.652809 21 99.005348 42 99.044296 42 99.682793 18 99.889404 22 100.329666 18 101.024445 2258.848145 101.230873 18 102.027 75 102.958923 62 103.003891 83 103.027466 22 104.034988 18833.306641 104.208466 22 104.231606 18 104.328766 20 104.563171 20 104.695854 18 104.857895 30 104.944954 22 104.954506 18 105.036171 869.026855 105.125366 25 105.181938 18 105.198059 18 105.224159 17 105.292831 19 105.377693 20 105.497841 18 105.733864 17 106.039108 242 106.555542 18 107.470345 18 107.847244 20 109.013268 25 112.516968 20 113.024162 1806.89502 113.660301 19 114.028259 166 114.962685 29 115.038589 174 115.427544 17 116.914993 29 117.138222 18 119.034233 1034 119.877724 18 120.040154 52 120.213287 18 121.647514 17 125.023941 111 125.733688 25 127.035538 22 129.977966 28 131.036835 200 131.073029 24 132.029572 23 132.748428 18 133.040497 18 133.05545 46 138.920731 23 143.03447 991 144.036713 145 144.14119 20 145.037231 19 149.046219 88.018677 150.672043 18 150.968002 22 158.508713 26 158.697144 18 160.843781 20 161.045364 4749 161.153381 18 162.048996 388 162.380188 18 163.049484 61 163.775208 18 163.982269 20 164.898544 20 170.833466 20 171.731171 33 175.901474 17 176.23259 35 177.169891 18 177.56691 19 177.811462 25 177.998215 21 178.508621 22 178.959686 22 178.991943 17 179.056366 3229 179.729645 28 180.059753 97 181.065231 21 182.437347 20 185.048279 36 189.013199 43 191.3909 20 195.636658 20 196.729019 22 197.584229 60 198.928299 29 203.019562 23 212.169159 20 212.888184 24 220.88208 19 221.06572 4097 221.244568 25 221.314056 38 222.069962 330 222.129776 18 223.077133 61 224.069763 17 230.118408 19 230.60112 24 231.064117 25 231.974411 17 233.06694 18 235.622513 20 236.917816 22 241.097229 23 242.567184 28 242.877197 23 245.489227 18 248.03241 18 249.016525 34 262.293915 17 262.950226 19 263.076447 817 264.09021 44 265.089417 17 265.184235 33 273.832825 48 280.779633 28 281.089233 482 282.089813 19 282.185333 17 283.103119 22 288.166687 19 294.05838 23 295.896515 17 299.006958 18 314.114471 18 320.794678 20 321.960571 19 322.051239 20 323.100555 72 324.954254 23 330.758057 20 331.379333 22 331.80719 18 331.99527 18 335.339996 18 341.108795 483 342.002106 17 342.11203 21 343.128815 471 344.118225 18 348.951233 23 353.232269 28 354.985809 18 356.005249 18 360.059875 41 372.019714 18 379.096069 31 385.249481 22 401.140228 18 401.552521 19 408.21402 20 411.804108 26 419.263794 18 424.18161 18 426.1362 20 429.877625 18 441.006958 18 446.150848 832 447.160065 215 448.167725 41 449.130249 20 449.311737 29 466.868469 17 511.111969 18 574.304993 18 596.959839 18 642.261719 17 659.248352 22 679.633179 18 809.847656 19 1004.533997 19 1030.275635 22 1055.02478 21 1172.138062 25 END IONS BEGIN IONS FEATURE_ID=319 FEATURELIST_FEATURE_ID=Aligned feature list peak:319 MSLEVEL=2 RTINSECONDS=380.01 PEPMASS=369.12982 FEATURE_MS1_HEIGHT=7.013E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8:2215"] SCANS=319 Num peaks=122 71.015564 17 72.008102 76 73.029442 40 75.006851 47 80.057785 51 90.560753 18 92.053009 19 94.91111 59 99.092674 20 101.023727 47 104.034821 71 111.946861 19 113.022957 17 118.066933 44 122.365974 18 130.069153 25 131.04332 153 131.24353 18 136.008682 20 138.036957 18 142.066299 257 143.071945 44 144.041275 115 144.081757 24 145.052643 150 146.042648 32 146.058914 136 147.028809 20 147.060516 56 152.989304 18 156.082184 116 156.960785 17 157.05101 58 157.075302 43 158.06076 593 159.060928 62 159.967682 20 160.076874 23 162.052765 97 162.401382 25 167.062119 64 168.042343 63 169.076553 1773 170.060852 1014.326721 170.081589 299.19574 171.063278 112 171.092499 17 171.531036 19 172.04039 20 172.064682 20.422489 172.080536 63.193069 174.059875 57 175.965744 19 181.077881 369 182.082687 46 183.052704 18 183.088242 20 187.065475 72 187.09668 29 187.769897 20 188.07106 302.236847 188.168579 28 189.07785 63 189.698135 19 190.052017 79 191.054962 18 191.887756 18 197.069611 17 198.057968 18 199.030487 18 199.087448 1556 200.072525 92.494751 200.094742 143.505249 201.090363 20 202.050629 252 202.082367 21 202.996719 20 208.068619 42 209.042801 20 209.097458 25 211.088562 157 213.073242 25 213.103882 18 214.045456 55 216.990295 76 217.101776 55 218.081955 17 218.099838 18 218.187515 20 231.079514 58 232.063492 36 232.086914 19 234.047134 18 240.327332 22 241.047363 19 242.093338 36 243.077621 75 249.087387 111.000008 250.098709 39 253.094681 42 260.076355 30 260.976837 38 261.096832 97 262.996429 54 264.00415 18 264.667664 20 266.083496 29 267.495636 26 272.188721 20 279.096069 121 283.177399 18 286.62851 18 295.573364 20 301.203888 31 303.164001 30 306.912537 20 352.109497 18 353.113892 98 369.131134 173 371.12558 39 534.842102 18 882.543457 34 END IONS BEGIN IONS FEATURE_ID=320 FEATURELIST_FEATURE_ID=Aligned feature list peak:320 MSLEVEL=2 RTINSECONDS=382.66 PEPMASS=341.10796 CHARGE=-1 FEATURE_MS1_HEIGHT=1.816E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8:1977"] SCANS=320 Num peaks=95 53.040836 27 55.622715 60 56.020493 24 59.012417 371 60.015354 18 70.238792 20 71.01329 945 71.771217 21 72.014259 18 73.029236 1043.272583 73.28653 18 73.67717 17 74.026672 41.971878 74.03759 28.028122 75.008362 18 75.030663 19 81.033379 87 83.013763 290 85.029182 122 86.30954 20 87.00692 109 89.023811 1004.846619 89.678497 18 90.028542 48 90.789169 22 93.340721 18 95.016098 99 95.05233 18 97.028748 1059 98.03244 58 98.896286 24 101.023209 1342 102.031044 90.288292 106.876083 22 109.025383 18 112.014824 17 113.023788 730 114.028175 56 115.040215 271 119.032623 328 120.035492 45 121.038513 17 122.347855 28 125.024666 37 126.03154 22 129.019989 18 131.033707 196 138.950897 21 143.035461 595 144.033859 40 145.039398 18 149.047089 59 161.045532 931 162.043961 42 163.06488 37 166.059586 22 175.06192 17 179.056824 579 180.058182 36 181.070206 31 185.045105 30 187.092865 27 203.063416 33 204.32991 18 218.019043 20 221.069092 575 223.07605 19 228.842987 17 229.216278 21 235.084274 17 256.64502 26 263.070129 20 268.043854 17 278.633209 20 280.033905 18 294.98877 25 297.145477 20.999998 305.64682 39 321.080658 18 321.522064 18 340.20108 17 343.083649 22 343.129639 103 356.745209 20 376.366577 30 378.702515 18 422.932953 25 423.188629 18 425.30545 20 436.020294 18 440.064514 42 441.534821 35 610.942383 24 873.26825 19 1163.834717 22 END IONS BEGIN IONS FEATURE_ID=321 FEATURELIST_FEATURE_ID=Aligned feature list peak:321 MSLEVEL=2 RTINSECONDS=382.84 PEPMASS=161.0451 FEATURE_MS1_HEIGHT=1.722E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8:2421"] SCANS=321 Num peaks=231 50.682957 20 52.122097 24 53.48362 18 55.01738 22 55.048622 19 58.02113 41 58.666393 17 58.729179 18 59.013062 20 61.607796 18 61.727322 18 63.90456 20 64.684143 18 64.928673 20 67.371552 21 67.446945 50 68.130219 24 68.544182 19 69.035301 30 69.346107 19 71.013458 20 71.426903 26 71.695374 30 72.167747 23 72.278572 17 73.02961 130 74.024681 21 74.2658 24 76.134064 18 77.825996 18 79.016327 20 81.300293 18 81.654991 32 82.188911 31 82.299255 20 83.332451 28 83.449829 22 84.478912 24 84.685349 26 87.010971 48 87.668228 21 90.810051 39 90.930565 21 91.428871 20 91.574554 43 94.440964 18 95.498589 22 95.613823 18 97.028671 21 97.662132 19 99.67765 20 100.595161 36 101.025063 56 103.418617 23 103.878944 18 104.615028 21 106.309288 20 106.665878 17 106.87307 24 107.111526 18 109.399033 23 110.112633 20 110.67308 19 113.248199 20 113.886124 20 116.91745 26 117.683601 21 118.391922 25 119.908844 29 121.383667 30 125.851341 18 129.655487 25 129.799164 41 129.838196 18 130.861298 22 131.01416 38 131.574768 19 132.452682 19 133.016968 38 134.87117 19 138.037308 17 139.131592 17 139.328979 22 139.928696 18 142.597595 18 142.946182 25 143.041183 17 143.092804 18 144.620514 17 146.458817 21 146.594345 20 146.868546 20 149.050247 24 150.363998 22 154.410706 20 154.675308 19 155.232178 32 155.43782 17 156.92218 35 159.616806 28 160.069351 18 161.042496 53 162.073151 25 162.893707 20 164.175964 18 164.5298 27 165.043411 21 166.754761 30 167.530365 39 168.372803 21 168.727982 20 169.298874 25 172.961777 42 175.401337 19 178.909943 22 179.055984 111 179.343765 17 180.855652 25 181.220367 17 183.512024 23 183.828781 20 186.006393 20 186.033005 20 187.017105 20 190.720062 24 191.026505 61.999996 192.042557 18 195.468521 30 198.930374 26 199.404633 28 202.591705 29 202.736481 18 203.478134 20 204.088196 20 205.655304 24 207.689987 31 208.298096 29 208.558456 25 209.013214 31 211.026505 22 211.52562 20 212.673859 20 215.650818 20 220.347565 17 221.189987 22 222.390503 19 226.047775 40 231.846725 20 239.706299 18 242.932861 20 254.678619 21 260.983551 29 262.464905 18 270.226166 19 270.351898 21 274.582916 17 280.584015 19 284.515167 22 286.091797 26 291.939484 23 306.608337 18 308.252167 21 310.021454 22 312.389954 21 315.660706 18 326.514771 28 341.116882 33 348.082397 19 348.774445 20 348.998352 18 350.901764 22 352.587616 20 361.090668 50 365.826691 19 366.067688 21 368.248077 21 371.856415 33 374.770508 20 375.04834 18 377.092987 18 388.003387 26 397.282623 20 404.097015 20 404.477753 18 425.18158 52 436.908752 24 437.961609 20 443.441315 18 444.899292 18 446.155304 20 473.161591 20 485.001312 20 488.223907 18 488.40976 20 490.566193 78 494.341705 18 518.19043 20 549.168945 21 634.782898 18 643.151917 18 650.205566 19 665.223022 30 683.205933 29 719.191833 20 769.182556 20 800.168274 20 822.134644 20 854.629944 20.000002 859.30542 18 863.219238 38 868.562073 18 891.777039 18 921.133423 30 960.781006 41 965.628906 18 1004.219482 18 1014.26532 18 1029.293091 18 1042.24292 29 1043.259277 20 1049.315063 18 1069.675293 39 1093.234741 25 1096.322388 18 1105.338745 25 1121.788086 18 1141.259644 18 1146.168213 17 1161.423218 21 1182.523071 24 1194.187256 29 END IONS BEGIN IONS FEATURE_ID=322 FEATURELIST_FEATURE_ID=Aligned feature list peak:322 MSLEVEL=2 RTINSECONDS=382.90 PEPMASS=683.22474 CHARGE=-1 FEATURE_MS1_HEIGHT=3.666E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8:1982"] SCANS=322 Num peaks=182 51.212666 18 55.015068 18 59.014141 379 61.018322 20 61.956944 20 62.753532 39 71.012573 833.371765 71.757645 18 71.982903 24 72.0168 47 73.029022 1066.35022 74.031288 57 77.021851 18 79.021744 20 81.032539 71 83.013245 307 85.027588 115 87.00663 112 87.280197 17 89.023315 2239.807861 90.02594 81 91.029556 61 95.015388 23 97.028831 1406 98.030426 71 99.010902 58 99.044632 70 99.560516 31 101.023857 4942.688477 101.154823 17 101.399368 17 101.429306 18 102.029121 175 103.023659 25 103.037331 18 103.225983 20 105.098579 31 107.030434 20 108.419601 23 109.024361 22 109.042274 22 111.524582 18 111.703445 22 113.023598 684.998596 113.247307 19 114.029366 43 115.03997 444.257385 115.100296 18 116.047874 41 117.052216 59 119.034805 1320 119.969345 18 124.722351 17 125.024292 213 125.317261 28 126.027344 39 126.509918 21 129.536987 17 131.034866 334.061279 131.385651 55 131.578751 22 131.964813 21 132.041504 31 133.05098 57 134.058517 40 138.026413 20 141.898026 20 143.034622 3201 144.039047 297 145.044983 26 148.180359 18 149.045349 158 149.615005 20 149.927597 23 150.94841 18 151.02713 22 152.99144 18 155.039352 53 159.721085 24 160.09613 18 160.46228 20 160.993683 18 161.045135 20577 161.092407 43 161.275208 18 161.414795 18 161.534409 18 161.55159 18 161.589066 20 161.694244 19 162.048935 1390.984253 162.407089 23 162.653961 18 163.049759 321 163.826782 17 163.986603 18 165.004852 38 169.071609 33 171.189774 26 176.418686 40 177.044434 40 178.043671 32 179.054886 10238.322266 179.229706 18 179.980911 19 180.060211 719 180.170929 36 180.616653 18 181.062012 201 183.682709 18 187.062759 22 191.063507 48 192.066086 17 210.671539 24 215.048889 22 217.445419 18 217.786301 19 221.066162 5055.782715 221.267609 18 221.509781 19 222.069763 408 223.051468 18 223.074066 73 231.221863 18 245.071259 24 246.025024 28 250.675491 20 251.071564 42 252.073318 24 263.077087 2425.102051 264.080963 225 266.309479 26 266.948639 23 270.191101 19 274.073547 18 276.522247 18 278.665924 17 281.087738 2281 281.355713 22 282.090576 328 283.090637 48 283.140533 20 284.036987 20 284.100494 18 323.093109 91 324.002899 21 339.196503 19 340.206085 68 341.108185 5741 341.195251 17 342.108826 608.019958 342.286682 18 342.993408 19 343.125916 120.478554 344.574921 18 345.906403 17 371.116058 18 375.881805 19 376.550903 17 415.77124 31 418.927582 28 425.294159 25 425.998352 17 443.122467 18 446.963531 18 503.153351 75 573.65625 18 598.396729 18 606.189941 18 623.207764 102 640.960938 20 644.613159 18 683.222229 456 684.213928 101 685.229736 56 706.112732 27 723.154846 31 807.395752 18 847.585388 33 866.751404 45 922.985962 26 1140.673706 22 END IONS BEGIN IONS FEATURE_ID=323 FEATURELIST_FEATURE_ID=Aligned feature list peak:323 MSLEVEL=2 RTINSECONDS=382.94 PEPMASS=404.10387 CHARGE=-1 FEATURE_MS1_HEIGHT=4.402E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8:2059"] SCANS=323 Num peaks=148 54.187546 17 55.971466 18 60.877525 25 61.915142 20 61.987759 10890 62.227131 26 62.236801 18 62.30294 18 62.377419 17 62.578331 18 62.619495 22 62.71983 17 62.792061 43 62.982876 78 63.253532 21 63.991905 68 64.00489 27 65.190704 21 65.356667 28 66.025566 20 66.447952 30 67.401421 25 68.469376 20 69.768967 36 71.989265 32 72.867943 18 73.031921 19 76.163246 34 76.42659 44 77.344872 17 79.936478 19 81.502449 29 81.75119 18 82.39006 23 85.031731 29 86.845764 19 86.974876 19 87.555107 22 89.019409 18 94.70929 21 95.394821 18 99.34967 17 99.446136 20 99.97168 17 101.023369 28 106.682838 20 110.578987 22 113.475197 19 114.575508 28 114.632156 20 116.248062 18 119.033463 44 119.280571 18 120.086937 23 126.022774 17 126.356094 18 128.041382 18 130.931061 26 138.526535 17 144.125015 27 144.918732 21 155.578613 29 161.044662 17 165.887344 29 175.347778 20 176.148163 36 179.047333 24 185.561783 18 185.704865 23 189.968689 28 193.04776 23 193.404617 17 196.37352 19 205.015503 18 205.062866 44 220.581009 20 220.758713 18 221.051254 18 221.649521 20 224.986969 24 225.147339 18 225.203522 27 235.712387 20 247.147583 23 254.878357 19 260.263641 27 261.958282 18 263.074829 23 263.5336 23 267.157257 18 279.615784 22 292.566864 19 305.057861 20 309.755859 22 316.187531 22 316.279449 21 322.046753 22 330.860687 24 343.046631 18 367.139008 21 371.629089 20 379.227142 21 384.923157 28 393.823853 26 404.104462 1842 405.105042 215 406.102844 44 407.065582 17 409.50885 20 418.092377 31 423.730682 18 429.958618 20 445.009064 83 452.889526 22 453.718079 27 459.270966 18 485.406281 18 488.154266 18 509.336884 18 517.597839 24 556.326233 18 556.97876 21 607.234009 19 611.949646 27 647.845825 18 680.494141 18 683.220825 44 685.231262 42 735.499023 18 841.733398 18 844.194275 19 886.223389 17 894.479004 21 898.755798 18 934.171143 21 988.066345 20 999.873535 18 1025.290161 24 1025.372559 22 1027.346558 18 1047.79895 21 1098.874756 21 1099.38208 18 1112.16748 18 1147.759399 22 1176.711914 29 1195.395142 20 1197.169556 21 END IONS BEGIN IONS FEATURE_ID=324 FEATURELIST_FEATURE_ID=Aligned feature list peak:324 MSLEVEL=2 RTINSECONDS=383.00 PEPMASS=377.08532 CHARGE=-1 FEATURE_MS1_HEIGHT=1.291E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8:2049"] SCANS=324 Num peaks=103 59.014145 162 60.019791 17 65.160034 17 69.035461 18 71.012505 174 73.028221 155 73.648315 22 75.006599 17 81.038628 40 83.013412 39 85.026115 18 87.005836 22 89.024254 412 90.028145 23 93.225037 20 95.022087 52 95.728516 18 97.030693 260 101.023354 1153 102.036125 32 110.055771 21 113.025398 144 114.949097 81 115.038795 42 115.95089 38 119.035095 462 120.033127 17 121.041557 19 123.752808 22 125.024803 63 128.235733 18 129.220093 17 131.033112 64 141.014694 19 142.588303 18 143.034637 272 144.041245 21 145.676544 17 149.047119 61 155.034256 17 158.940475 59 160.934723 18 161.045242 1395 161.777679 18 162.017426 18 162.047958 171 165.531586 18 179.056 916 180.059799 35 181.078674 38 185.04863 18 185.172653 25 188.953659 36 199.985809 25 202.924026 36 203.934296 50 215.013901 22 217.80545 22 221.06575 1665 222.057846 18 223.073624 19 223.71138 20 240.475906 24 245.283096 51 253.087906 19 256.763855 22 263.078094 243 263.245728 17 263.765778 17 265.089447 18 270.865906 22 271.015839 18 271.863556 18 271.98288 35 275.075958 20 279.900177 22 281.088593 225 282.08905 37 293.734558 20 301.883057 22 302.099335 26 304.236145 18 305.309601 18 341.112915 54 342.119019 21 343.123108 197 344.128662 48 344.85437 20 363.014984 18 376.05307 22 377.084961 661 377.132141 18 378.063873 20 378.091583 68.805031 379.088074 336 379.233948 18 380.092804 42 453.692749 21 524.201843 24 548.521179 18 561.582092 17 712.237122 18 1185.293213 18 END IONS BEGIN IONS FEATURE_ID=325 FEATURELIST_FEATURE_ID=Aligned feature list peak:325 MSLEVEL=2 RTINSECONDS=383.03 PEPMASS=221.06585 FEATURE_MS1_HEIGHT=7.991E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8:1983"] SCANS=325 Num peaks=48 57.034203 18 59.013695 232 59.035778 22 71.012932 294 71.082108 18 73.028374 132 75.011101 29 83.013718 100 85.030655 168 87.007416 72 89.025871 19 91.027924 18 94.039246 21 95.015549 95 99.009544 56 100.978493 23 101.02433 408 111.473358 22 113.022552 145 122.063339 26 131.032608 41 141.018692 18 143.898346 38 159.031372 73 161.913864 18 177.040421 24 177.900406 17 178.996277 20 179.073151 18 184.432404 26 193.013611 17 210.353409 23 221.029373 17 221.068802 163 221.154694 27.000002 222.019348 32 222.067612 70 223.096176 17 225.303284 33 235.666855 19 240.962311 21 309.385345 26 340.997375 18 359.395325 20 361.892792 22 426.711548 19 502.299896 18 650.17804 20 END IONS BEGIN IONS FEATURE_ID=326 FEATURELIST_FEATURE_ID=Aligned feature list peak:326 MSLEVEL=2 RTINSECONDS=383.04 PEPMASS=179.05543 FEATURE_MS1_HEIGHT=8.259E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8:2427"] SCANS=326 Num peaks=57 52.536495 32 56.995964 25 59.016453 22 63.247169 32 71.012726 18 71.048752 48 75.007881 196 75.877647 51 83.014618 21 86.999306 18 87.009949 50.134678 97.028595 49 99.005608 27 99.045006 19 101.726616 18 111.010956 19 119.967506 24 122.954178 22 123.008141 20 125.027679 21 127.642509 20 132.972397 56 134.985992 40 138.580002 21 143.036255 27 147.892136 18 162.033829 22 169.505157 18 179.053665 220.34549 181.054642 18 188.577942 19 198.49675 18 201.768784 18 211.965393 29 213.431931 21 219.657181 21 222.643402 19 230.511292 18 235.238846 18 246.843124 18 248.113815 18 265.547546 19 268.108124 20 276.453583 22 281.66275 53 281.713043 18 295.705566 19 313.399902 19 393.508545 35 432.43515 28 444.035126 30 460.6875 19 480.819824 17 505.467316 17 521.067017 52.999996 632.752197 30 737.303345 18 END IONS BEGIN IONS FEATURE_ID=327 FEATURELIST_FEATURE_ID=Aligned feature list peak:327 MSLEVEL=2 RTINSECONDS=385.45 PEPMASS=102.05555 FEATURE_MS1_HEIGHT=7.567E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8:2263"] SCANS=327 Num peaks=149 52.287212 20 52.308304 20 53.044533 20 53.653427 18 53.897953 17 54.280201 20 55.208591 17 55.490559 18 55.522705 25 57.440701 21 58.274639 20 60.069138 18 60.078274 20 60.103191 18 63.010284 24 63.089947 31 63.558281 21 64.09491 18 65.065208 20 65.595932 19 65.881332 19 66.499947 23 66.924065 18 67.750717 20 67.926537 18 68.934669 30 71.259888 20 73.034889 17 73.507996 26 74.186195 23 75.634201 20 77.369751 21 78.725685 17 78.797188 24 82.675339 21 83.194633 21 88.428627 17 89.074852 23 89.760117 27 90.556511 17 94.214386 17 95.027954 30 95.615257 20 96.109741 28 97.996552 26 98.112923 22 98.886353 18 99.195717 19 100.536003 17 102.055748 163 102.26548 19 102.823769 20 103.526962 26 103.703316 20 106.748772 35 109.064713 28 109.733475 29 110.98481 17 111.664711 36 111.966148 18 113.878334 27 114.796448 31 116.829521 29 118.84671 20 120.016273 24 120.431175 17 121.083099 18 123.449776 18 123.815796 27 125.596909 24 127.769081 18 133.700806 21 136.826981 20 140.368301 66 144.081757 18 147.257965 21 148.804169 20 151.513397 17 153.306 22 154.154877 20 156.396744 19 158.781189 18 160.844116 17 164.461014 18 167.072769 23 167.804596 20 172.569031 21 186.477371 19 191.64679 30 192.910767 29 193.024139 23 193.201706 20 195.469482 20 195.84317 18 200.239517 38 200.863358 23 202.176651 18 203.260452 27.999998 203.659698 24 204.436554 23 210.087479 22 215.776154 29 219.710983 22 221.089264 22 231.427933 28 231.556259 29 234.068192 20 241.247818 20 241.695862 18 242.3134 23 252.348053 24 259.90152 18 261.209473 22 264.97464 19 268.764404 23 270.975861 20 275.592316 22 279.186127 18 284.569977 18 285.447998 19 298.634796 27 298.72171 18 305.246307 29 305.343414 18 310.161804 22 328.210846 21 336.38559 19 386.702698 18 423.067078 22 476.774536 18 488.162872 52 500.366364 26 515.849854 18 556.45636 17 640.184753 53 784.440308 30 841.157654 25 994.207092 18 1015.240234 18 1023.284058 17 1024.301514 47 1053.196777 17 1079.81311 20 1087.917114 18 1090.20459 27 1125.274292 18 1158.146851 18 1166.731812 21 1177.296875 18 END IONS BEGIN IONS FEATURE_ID=328 FEATURELIST_FEATURE_ID=Aligned feature list peak:328 MSLEVEL=2 RTINSECONDS=385.52 PEPMASS=128.03483 FEATURE_MS1_HEIGHT=1.145E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8:1949"] SCANS=328 Num peaks=222 50.024029 23 51.330559 20 51.675449 18 53.208874 18 53.303123 25 54.743908 18 55.256264 24 56.1189 20 57.103931 20 57.828426 18 57.98111 26 58.032158 27 58.109215 18 58.695026 20 59.173443 40 59.496307 43 60.422688 22 60.437035 20 61.001141 18 61.07925 39 61.62479 20 63.214226 17 63.427383 24 64.24865 20 64.778404 22 65.318176 22 65.787285 24 67.814308 33 68.140839 28 68.726135 23 70.776115 21 74.445312 20 74.982376 17 77.120026 18 78.583794 22 79.79612 32 80.376488 21 81.109711 26 81.367935 25 81.486771 18 81.890388 19 82.108887 40 82.449623 25 82.644684 54 82.890282 22 84.824371 28 85.115555 18 85.137932 22 85.646049 22 85.700439 20 85.898277 22 86.682983 33 87.522568 20 87.564171 21 90.617104 30 90.786156 18 92.529533 18 93.069733 28 98.207977 20 98.929199 21 99.267563 20 99.734535 18 99.875298 20 99.940269 22 101.372604 18 103.58033 22 104.776596 18 105.078873 18 105.116768 21 107.467834 23 107.817719 19 111.736931 20 112.267967 30 113.037979 26 114.018967 18 115.101425 19 115.886627 26 115.950211 38 116.135567 20 118.353241 57 118.808968 20 118.902725 21 119.818787 21 120.691872 20 121.249863 20 122.956284 19 127.299126 17 128.034439 73 129.01944 36 129.034836 18 131.046829 18 135.440292 23 138.26297 29 138.278854 35 139.007858 26 139.483582 18 139.749512 20 139.978775 18 146.04631 60 147.296097 19 148.038818 18 150.149261 26 154.157547 18 154.791824 18 155.579025 18 159.977127 24 163.058624 22 163.095123 20 163.387711 18 163.946899 23 164.318237 22 164.760483 28 168.616547 30 171.373047 34 172.777863 27 177.883911 18 178.939713 25 188.934296 18 189.039734 18 190.83844 18 191.354599 24 197.618774 22 197.758987 37 200.240067 45 201.392883 17 203.328674 18 207.872421 22 211.147018 18 216.132614 18 216.493576 21 220.512436 27 220.999741 22 226.099899 48 230.658661 38 233.901138 26 236.879303 25 240.111816 20 240.746048 18 250.822495 24 261.035065 27 271.813171 20 274.92218 30 277.859589 18 280.700592 25 287.526825 17 287.749969 33 289.395508 20 289.978302 18 290.023254 18 291.876953 19 292.640564 22 293.837585 20 299.358429 20 300.817719 18 322.718414 24 322.890381 18 324.835327 18 336.916779 17 337.501923 18 353.03363 20 362.877747 17 366.434021 27 386.755432 19 400.539612 20 419.007812 22 456.477936 23 465.073456 30 468.842285 52 488.163727 37 505.299805 22 510.139465 18 520.404785 17 528.079346 31 529.411072 18 570.580322 20 585.899414 18 616.764038 23 701.168335 18 703.138794 20 716.135193 18 721.094788 18 732.118164 17 793.206116 18 802.125488 20 803.14856 17 807.151245 18 807.67926 18 813.000671 18 820.082947 18 827.625061 18 891.642761 56.999996 892.190063 19 902.143188 43 917.345032 18 922.990173 18 942.407349 18 960.222412 28 971.481323 30 993.127197 17 1027.076294 18 1030.214355 17 1042.146606 23 1055.192261 32 1070.448975 18 1077.237305 19 1080.202759 22 1082.379272 54 1083.126343 32 1102.190308 20 1106.119019 18 1127.329102 48.000004 1131.819336 30 1139.28186 24 1140.793701 23 1146.726929 19 1155.061523 17 1166.250732 20 1182.30957 17 1182.668701 18 1191.140747 18 1196.358643 18 1198.786743 33 END IONS BEGIN IONS FEATURE_ID=329 FEATURELIST_FEATURE_ID=Aligned feature list peak:329 MSLEVEL=2 RTINSECONDS=385.56 PEPMASS=852.26051 CHARGE=-1 FEATURE_MS1_HEIGHT=6.888E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8:2274"] SCANS=329 Num peaks=45 56.589363 22 59.286022 26 65.895599 28 115.330254 28 129.360733 20 146.049988 51 166.885895 18 167.047913 20 168.027252 4724 169.005356 18 169.027985 300 169.158066 18 184.208649 18 228.037125 18 236.051254 32 245.120987 17 258.06192 18 271.746857 18 283.096619 25 286.936646 28 303.753632 17 312.067688 42 321.129486 20 331.311951 19 348.084473 55 390.10257 103 420.103546 30 483.056824 21 510.141998 7750 510.238708 18 510.636871 22 511.146667 1371 511.233673 22 511.464447 23 512.106506 42.797661 512.146118 253.377792 512.633606 19 513.144958 129 514.134766 22 532.122314 17 595.705688 20 792.45874 23 794.50946 20 852.268677 76 853.485962 18 END IONS BEGIN IONS FEATURE_ID=330 FEATURELIST_FEATURE_ID=Aligned feature list peak:330 MSLEVEL=2 RTINSECONDS=385.80 PEPMASS=146.0454 CHARGE=-1 FEATURE_MS1_HEIGHT=9.678E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8:2268"] SCANS=330 Num peaks=90 54.98642 23 55.021687 18 68.276535 18 71.012825 60 72.208496 20 72.66095 20 73.550613 17 74.024673 205 75.018967 18 77.707443 24 82.025597 26 84.042244 103 85.029274 334 86.022209 23.314707 86.030716 40.504631 86.541054 30 86.694054 18 89.974541 19 98.056107 18 99.570984 17 100.010712 22 100.038986 41 100.935608 35 101.023827 111 101.644173 34 102.016037 18 102.055801 10548.380859 102.158234 24 102.187904 19 102.223686 23 102.289162 24 102.72036 20 103.057762 533.830994 103.401108 17 103.471039 18 103.561737 28 103.876114 18 103.912781 18 103.928635 19 104.058167 19 104.26516 23 105.09745 21 109.046288 22 117.958801 18 128.035126 4927 128.624283 19 129.018661 235.262283 129.039185 457.737701 130.018005 24 130.04068 45 133.174591 20 134.918732 30 140.327896 23 145.053299 17 146.045471 4114 146.092667 18 146.34317 20 146.791733 18 147.050629 293.418793 147.461212 18 148.033066 42.905136 148.050827 38 148.666 28 150.053238 39 151.323074 17 154.123657 18 163.515854 20 167.846786 26 171.313553 17 174.812485 18 175.255875 23 176.503967 35 178.649536 22 194.199036 22 196.408035 33 228.220276 31 231.883575 17 256.355164 20 260.873566 18 278.064667 18 280.690918 29.000002 280.903564 17 281.502167 18 282.998566 22 289.488159 17 313.718445 23 354.470428 20 363.389374 32 533.365479 28 588.40918 27.000002 END IONS BEGIN IONS FEATURE_ID=331 FEATURELIST_FEATURE_ID=Aligned feature list peak:331 MSLEVEL=2 RTINSECONDS=385.90 PEPMASS=541.1171 FEATURE_MS1_HEIGHT=7.475E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8:2108"] SCANS=331 Num peaks=58 78.958984 173 84.090538 21 88.761215 18 88.832275 59 89.021324 26 96.967911 39 111.040245 19 131.045609 20 150.980576 18 152.994873 3606 153.997513 143 154.301346 18 156.559311 17 157.232208 24 171.008286 362.770416 180.986374 20 184.484818 23 196.064941 20 198.048584 25 199.000534 7247 199.038254 43 199.061996 18 199.094986 27 199.264557 21 199.974716 43 200.002396 322 200.067963 18 200.973358 24 201.00621 77 201.029663 38 201.113785 31 202.074554 18 202.223694 25 202.570526 20 212.571594 25 213.970673 20 216.004288 24 241.976517 22 253.984512 41 259.99292 48 269.983215 20 275.991516 18 294.961365 20 341.103058 25 353.828949 28 369.011139 20 395.025299 47 396.037018 60 407.285767 17 412.030487 29 420.052612 20 492.41214 20 524.055298 41 540.088501 18 541.112793 39 542.064941 40 543.118347 44 543.259583 18 END IONS BEGIN IONS FEATURE_ID=332 FEATURELIST_FEATURE_ID=Aligned feature list peak:332 MSLEVEL=2 RTINSECONDS=385.91 PEPMASS=223.04526 FEATURE_MS1_HEIGHT=8.202E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8:2436"] SCANS=332 Num peaks=199 50.033932 24 51.162697 17 51.852325 17 53.676922 18 55.370239 17 55.850765 22 56.217812 31 56.252483 33 56.445713 18 56.99844 20 57.02972 18 57.196411 33 57.447613 20 57.617031 30 58.012932 61 59.01371 224 59.093678 19 60.017651 18 60.984512 20 64.870613 20 66.011368 20 66.178261 17 66.460823 22 67.454758 18 67.646553 19 67.762917 31 69.364746 20 71.012238 255 71.219681 19 71.390648 18 72.015106 20 72.990387 59 73.339508 29 74.206284 20 74.925545 20 75.007149 500.678345 75.326942 18 75.7668 26 76.011909 52 76.284653 18 76.332314 17 77.015129 18 77.260963 20 77.743263 20 78.110916 18 79.435104 21 80.351364 17 81.002892 22 81.295959 20 83.583313 26 84.02549 19 85.027885 215 85.828247 19 87.008957 224 87.558983 30 87.603157 18 89.023872 93 94.028328 18 97.029579 21 97.163116 22 97.189415 20 97.281052 20 99.007645 273 99.04245 18 99.837578 20 100.011009 42 100.234901 22 101.020119 23 101.032623 35 102.501472 18 104.850761 18 106.45977 20 106.931824 37 107.217369 50 110.035027 18 111.006538 22 113.026199 22 114.345451 18 114.445282 17 117.014732 18 117.05024 49 119.051422 18 128.308975 22 129.018906 536 130.019806 102 130.906052 46 131.020309 18 131.579681 19 132.43306 21 132.93515 18 133.007126 24 133.046875 18 134.079987 21 135.370193 39 135.511749 20 136.02211 24 136.794922 20 136.900269 18 137.060379 20 138.774826 26 139.007553 26 139.04155 18 140.515259 20 141.018234 60 142.112656 22 146.042969 19 154.981598 18 155.290512 20 156.068192 18 157.464859 25 157.873688 23 159.029236 164 160.173889 41 160.628952 26 161.043854 37 162.052826 22 162.310425 19 164.371338 22 168.929901 23 175.279358 26 177.04187 809 177.819199 24 177.838043 21 178.045212 17 179.057861 310 179.312927 22 179.513916 26 180.231186 40 182.446274 18 191.172699 21 193.029251 20 195.051804 185 196.054871 20 198.159866 20 202.582474 26 203.800552 28 206.605591 18 206.741577 19 206.998825 22 216.039047 41 216.516357 35 219.048553 19 219.921066 30 220.886642 26 223.047256 518 224.050995 84 225.041367 24 225.063812 83.616585 227.061066 22 231.541885 20 233.869705 22 242.556122 21 249.947662 18 253.798508 21 254.567291 17 256.198792 18 260.768005 21 267.779572 22 278.425171 25 281.092133 21 284.984131 20 296.374359 32 301.681458 21 308.191681 17 312.162811 20 337.423309 21 339.946747 36 373.810211 18 396.596344 26 400.122559 20 409.441742 24 424.454742 23 435.561401 18 440.867371 18 488.155334 28 496.365784 27 511.140045 18 569.873413 22 590.444763 18 606.164368 18 610.036072 23 620.199158 23 630.119324 20 683.217346 18 700.174072 18 734.647766 21 830.87616 21 857.442383 22 874.253723 20 923.941162 17 1001.500549 21 1023.289734 21 1055.253052 18 1105.068237 17 1121.221558 18 1122.144165 18 1125.817017 21 1162.274536 31 1194.36499 18 END IONS BEGIN IONS FEATURE_ID=333 FEATURELIST_FEATURE_ID=Aligned feature list peak:333 MSLEVEL=2 RTINSECONDS=385.97 PEPMASS=488.16186 CHARGE=-1 FEATURE_MS1_HEIGHT=1.419E6 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8:2283"] SCANS=333 Num peaks=261 56.049374 31.000002 57.035866 21 59.011654 18 59.209927 17 71.009369 38 74.023842 59 75.028702 23 75.312019 22 82.025635 38 84.042793 22 85.029488 151 86.299248 22 87.009766 51 88.036644 20 89.022011 29 90.025635 21 100.042244 66 101.024101 1036 101.802811 18 101.961098 18 102.018127 62.92144 102.030846 94.07856 102.055214 17965.271484 102.102409 56 102.164536 18 102.301361 17 102.320259 18 102.356018 18 102.761246 19 102.789749 17 103.025276 35 103.058624 938.028198 103.193687 17 103.215202 23 104.000763 18 104.060768 21 105.750252 28 110.022835 24 112.885735 18 118.051727 21 119.515839 24 121.61647 17 127.050827 139 127.487389 22 128.008789 33.853863 128.034561 27189 128.08728 35 128.244232 18 128.473297 20 128.503464 24 128.581375 19 128.612015 25 128.633133 26 128.699036 30 129.017654 379.150452 129.037552 1804.682861 129.181702 19 129.214752 18 129.271454 29 129.36496 17 129.442917 18 129.577164 30 129.833374 19 130.021988 19 130.036423 55 130.995956 17 131.034836 140 131.633072 31 131.736069 18 131.986511 28 132.349442 19 132.810272 19 134.513245 19 137.749283 24 138.812027 18 141.754639 18 142.880173 20 143.876862 25 143.908707 24 143.946884 89 143.989838 23 144.009354 18 144.027161 18 144.03923 20 144.118134 17 144.926254 40 144.947433 20 145.012756 2484 145.060318 2090.902588 145.086746 39 145.2444 17 145.365875 20 145.479736 22 145.652054 26 145.791214 18 145.824097 20 145.927246 18 145.949341 29 145.980347 45 146.013657 254 146.04538 253034 146.100464 17654 146.153748 68 146.180847 4010 146.219955 319 146.242233 1317 146.281311 90.898666 146.311508 17.566486 146.330994 22 146.345367 17 146.381439 18 146.423737 60 146.450836 21 146.487503 20 146.522247 18 146.548859 18 146.570724 36 146.606079 41.181469 146.61795 36.267052 146.660065 24.213497 146.678787 64.067627 146.704651 57.269024 146.736649 132 146.756516 53 146.795425 419 146.832352 93.402222 146.853149 106.051949 146.870163 35 146.902542 94 146.941742 37 146.972061 17 146.995316 20 147.048309 17893.390625 147.229843 35 147.245041 55.588383 147.261963 30.411617 147.28717 22 147.322372 21.531258 147.346695 18 147.372742 35 147.40097 33.991447 147.415543 78.008553 147.431763 37 147.46843 84 147.500504 71.988068 147.521286 44.011936 147.589966 56 147.753876 20 147.886887 48.489681 147.909607 63 147.937546 75 147.961853 18 148.012146 18 148.049667 3250.652832 148.138214 53 148.160339 19 148.193176 18 148.249619 18 148.317413 18 148.379288 39 148.437775 39 148.53981 87 148.578812 18 148.596283 18 148.649048 86 148.677536 20 148.699051 18 148.742233 18 148.808624 21 148.830078 17 148.933502 25 149.014725 24 149.044815 495.336395 149.070175 51.953018 149.192352 18 149.287201 18 149.302826 22 149.32872 31 149.462067 42 149.587082 19 149.633331 18 149.657974 18 149.735382 18 149.823639 17 149.876877 36 150.004776 33 150.052292 17 150.100052 26 150.354614 19 150.394516 18 150.447159 22 150.751846 17 150.794785 18 150.934006 19 150.981918 18 151.368332 22 151.444717 20 151.523727 20 151.562119 21 151.66095 17 151.78891 18 152.046997 23 152.227158 20 152.569046 19 152.867523 18 153.63446 19 154.164276 17 155.585495 20 156.159317 28 158.778763 17 168.894104 17 171.955048 27 173.515396 18 179.054077 18 183.15567 20 195.266418 18 216.967728 34 218.990295 20 234.399155 27 246.130295 19 248.010071 18 248.809265 18 253.015549 17 255.651382 18 259.104614 21 266.489868 17 267.953278 18 270.921844 28 274.391418 19 275.390076 25 276.470123 20 280.604126 35 283.10849 20 288.925262 20 298.913727 21 315.07135 18 341.113342 43 343.103088 17 357.155731 20 393.007965 18 395.028381 56 399.023773 23 420.906311 22 429.250061 18 468.98465 36 469.460358 21 473.296631 19 481.636108 18 487.01944 24 487.188873 53 487.996063 18 488.16037 261 489.001068 21 489.170502 87 489.237122 18 491.36319 21 544.866821 17 837.769409 18 994.723267 18 1025.315918 37 1097.819824 19 END IONS BEGIN IONS FEATURE_ID=334 FEATURELIST_FEATURE_ID=Aligned feature list peak:334 MSLEVEL=2 RTINSECONDS=386.07 PEPMASS=179.05555 FEATURE_MS1_HEIGHT=7.538E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8:2064"] SCANS=334 Num peaks=192 51.182304 18 51.956493 38 53.563568 20 53.807411 35 54.116062 20 54.450436 18 54.683319 37 54.819485 51 54.873859 17 56.114586 28 58.333427 21 59.014748 58 62.506214 20 62.979446 22 66.334 22 68.469101 22 69.363548 28 69.995323 19 71.013168 83 74.064438 28 75.006447 24 76.04055 17 76.728378 18 78.3517 22 80.966354 56 81.57296 18 81.746544 20 83.933495 37 85.029472 36 85.455116 21 85.677505 24 86.184029 18 87.876022 28 89.132416 21 89.169693 18 89.311226 20 92.179909 20 93.503555 18 94.033188 40 96.689316 21 96.985352 19 97.028664 35 99.007797 20 99.603333 18 99.934227 20 100.651741 20 102.613144 26 103.449287 20 104.383629 25 104.4291 24 107.40271 53 107.712212 27 108.022705 17 108.045731 53 108.785263 17 110.854095 18 111.008301 28 111.036575 17 112.264069 23 112.758377 23 114.211945 24 114.279907 34 116.895233 30 117.960709 18 118.867195 48 120.03643 25 120.784233 22 122.757378 26 123.811378 22 124.260292 22 125.026665 20 126.396141 22 127.298805 21 129.018539 20 130.254715 20 131.035538 17 132.365906 18 132.4104 21 138.109375 25 138.323303 17 139.501785 17 139.950439 18 140.380569 31 140.72702 17 141.561462 22 143.014038 20 146.044754 109 146.08519 24 147.989075 33 148.050522 20 152.231079 24 154.454514 22 155.888077 34 156.442108 39 157.352219 22 158.416992 18 160.760452 20 161.04512 62 163.047638 17 165.248062 19 168.024979 25 170.285629 18 172.878937 17 178.852249 18 179.053131 37 179.363663 22 183.029022 20 192.114456 22 192.509598 19 192.604065 20 193.196732 20 197.024796 17 197.55722 22 200.31781 18 201.372055 25 206.98793 24 207.266296 37 209.150513 19 210.919662 25 211.109207 22 213.04689 19 213.852829 20 216.944061 28 219.817566 25 223.135193 18 224.029602 18 225.75119 24 227.05603 51 230.851685 24 236.786957 20 237.214783 21 239.023926 22 243.675156 27 251.330078 23 256.752533 20 266.155182 23 267.012085 17 269.28949 17 273.022766 20 273.319366 25 274.718384 22 281.050201 17 294.73996 29 305.617828 24 308.622833 20 310.108856 20 311.705322 18 315.988068 18 323.891327 22 341.116089 28 344.534119 20 344.653656 22 348.841675 18 373.026093 18 377.08078 21 387.122681 17 398.70285 18 413.662231 29 429.100311 36 431.536804 18 435.312744 25 446.811615 18 488.167328 85.392212 509.378632 17 532.114563 18 539.985596 21 552.297363 22 566.237183 18 593.119202 18 605.150269 21 619.445435 18 652.461914 17 683.223389 20 717.251892 18 820.66095 34 858.235718 18 954.396912 18 999.519287 18 1024.323486 31 1031.303833 22 1074.356567 20 1085.345825 27 1098.861816 20 1099.365234 27 1100.850098 23 1136.2677 39 1170.788818 19 1173.303223 23 1184.910034 27 1194.393677 23 1195.693726 29 1198.848633 21 END IONS BEGIN IONS FEATURE_ID=335 FEATURELIST_FEATURE_ID=Aligned feature list peak:335 MSLEVEL=2 RTINSECONDS=386.38 PEPMASS=511.14301 CHARGE=-1 FEATURE_MS1_HEIGHT=1.302E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8:2458"] SCANS=335 Num peaks=62 78.957863 1563 79.34269 18 80.09845 18 87.011795 26 96.969154 61 98.034233 22 100.08094 19 119.948341 113 124.973846 20 127.005173 65 127.075668 17 145.010269 19 151.019272 29 159.897751 24 162.891678 22 166.054657 58 166.57016 18 166.617371 19 167.009659 283 168.028366 618 168.051651 49.088657 168.984528 62 169.026505 15183.352539 169.077576 22 169.117416 18 169.84285 20 170.031418 528 170.668167 19 170.990753 52.191429 171.005661 60.808571 171.031937 169 171.067139 113 171.374664 18 171.948868 25 172.011734 26 172.031677 34 172.066025 20 172.535919 23 173.010239 39 184.369507 18 187.442093 18 247.058777 21 252.154938 18 291.580383 24 329.776947 22 341.108368 34 345.061768 23 347.889099 18 368.767578 27 373.074066 18 429.102753 25 440.174744 18 475.826569 18 484.986755 20 500.131104 17 510.15863 36 511.142883 364.174438 512.150818 117 514.148987 23 541.365417 18 663.466492 17 825.425476 18 END IONS BEGIN IONS FEATURE_ID=336 FEATURELIST_FEATURE_ID=Aligned feature list peak:336 MSLEVEL=2 RTINSECONDS=386.38 PEPMASS=533.13515 CHARGE=-1 FEATURE_MS1_HEIGHT=1.471E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8:2467"] SCANS=336 Num peaks=159 55.018124 160 57.034443 104 57.057999 22 59.013493 589.432251 59.035645 21 62.595394 18 71.012817 466 71.520927 21 71.797333 17 72.992584 872 73.028633 336 73.055656 17 74.02327 22 76.009583 17 81.033104 22 83.00985 18 84.908272 17 85.029007 9739.561523 85.429626 18 85.586555 18 85.744087 17 85.891869 22 86.03138 305 87.026657 17 87.035553 18 88.038887 22 88.168182 18 89.023933 1270 90.028282 42 95.01152 45 99.009781 37 99.040779 18 101.005051 23 101.024139 731 102.030746 94 102.047722 19 102.091133 17 103.003571 1144 104.006187 35 105.018929 342 105.520706 56 106.019562 20 111.012192 22 112.038841 39 113.024689 1767 113.505516 17 113.59938 25 114.024864 37 115.001289 46 115.18959 20 115.853363 18 119.036911 112 119.9786 22 122.060722 24 124.483849 22 129.018661 696 129.381378 18 129.759476 18 130.022858 85.82592 131.034531 1502.478882 132.035965 92 133.016281 96 136.733231 20 140.775726 18 141.016998 32 143.034866 18 146.148621 24 146.958847 38 147.029266 1291 147.705948 17 148.033859 130 149.044693 122 150.056091 80 157.014252 182 163.02504 134 163.355118 18 164.028 46 165.039307 312 165.062592 29 166.05127 18 172.47673 18 175.024689 715 175.061905 42 175.94574 19 176.439926 18 186.81987 18 188.748138 40 189.497589 19 190.039719 38 190.074188 17 190.297623 21 190.671677 17 190.701187 17 190.986862 27 191.01915 26976.691406 191.055084 81.57692 191.078415 64 191.459351 23 191.481857 18 192.023056 2333.533936 192.054794 42 192.082108 18 192.17923 18 192.712036 20 192.766205 18 192.86058 17 192.937408 18 192.983292 17 193.034698 20464.087891 193.072037 407 193.106339 50 193.217117 35 193.777435 18 194.038925 1346.436768 194.075089 18 194.23555 20 194.33786 20 194.443192 17 194.524109 18 195.044998 859.139771 195.101303 17 195.256287 18 195.453125 24 195.502731 22 195.554382 17 195.782883 18 198.787094 17 200.574203 18 245.097427 20 277.700775 24 281.010986 18 332.043945 18 341.101807 46 342.116791 21 346.33963 20 358.122894 17 358.964722 18 395.012177 18 400.251404 19 404.105682 18 426.187653 20 484.315247 31 485.871033 20 486.114441 17 489.154083 17 489.193085 17 490.152618 19 532.105103 18 533.131226 494 534.144531 39 535.150452 243 536.015442 17 536.161072 149 542.601379 18 611.30072 20 617.256836 17 652.144836 18 710.075745 20 1109.887573 18 END IONS BEGIN IONS FEATURE_ID=337 FEATURELIST_FEATURE_ID=Aligned feature list peak:337 MSLEVEL=2 RTINSECONDS=386.39 PEPMASS=467.11675 FEATURE_MS1_HEIGHT=7.776E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8:2069"] SCANS=337 Num peaks=43 55.801693 21 71.016663 20 78.957916 842 80.962051 25 96.972107 20 124.008148 207 125.000275 6066.453613 125.027618 23 125.063011 18 125.229164 20 125.267509 20 126.005997 190 126.090927 18 126.936104 18 127.005104 60 128.033905 73 128.07991 20 128.916092 17 130.833786 28 141.162506 18 144.596664 26 157.517944 18 161.040253 19 194.662125 20 216.170227 23 220.125458 18 307.272278 33 323.738831 18 341.116821 35 360.145264 37 363.684601 22 364.097809 17 368.799744 18 377.200775 28 379.102386 36 387.114441 37 393.17215 21 403.067047 18 426.039734 18 467.116028 167 467.16864 18 468.120178 99 469.269531 20 END IONS BEGIN IONS FEATURE_ID=338 FEATURELIST_FEATURE_ID=Aligned feature list peak:338 MSLEVEL=2 RTINSECONDS=386.48 PEPMASS=377.08534 CHARGE=-1 FEATURE_MS1_HEIGHT=2.964E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8:1987"] SCANS=338 Num peaks=225 50.730595 45 52.609371 36 53.063271 22 54.096176 20 54.506233 18 55.412685 21 55.536926 25 57.201637 18 57.588139 26 58.621002 28 59.013081 121 62.522015 20 64.569077 20 67.72374 41 67.871948 22 68.006355 19 69.091103 19 71.012451 262 71.608269 18 71.878342 20 72.066032 20 72.521347 20 73.02845 215 73.539268 20 74.031036 17 75.960007 18 76.757843 17 79.379738 17 81.039955 31 83.008354 17 85.028328 17 85.366074 19 86.035553 18 87.704193 49 89.022896 440 89.397835 27 90.401413 18 91.247734 17 91.508995 20 93.140335 27 94.719368 18 95.01506 22 95.468956 24 96.488098 42 97.029373 145 97.129517 18 99.011383 18 101.023842 902 101.075958 28 101.87468 17 102.042152 31 102.513275 22 103.030334 20 104.935982 22 105.004425 23 107.316566 22 111.009254 46 112.330215 27 113.02565 272 114.031174 19 114.950401 72 115.039658 42 115.955238 18 117.018127 21 118.124367 24 118.988518 20 119.034637 350 119.092224 20 119.455627 40 120.037323 27 121.346489 18 123.643623 21 123.776344 19 125.028954 70 128.059906 20 128.557098 25 128.735062 20 128.929672 27 129.902069 28 130.876556 18 130.940948 24 131.034134 84 132.03746 33 133.049332 21 137.997986 18 140.231766 18 140.797119 19 141.68103 29 143.0336 375 144.033218 24 144.482666 20 145.966003 34 148.155579 20 148.643127 18 149.042343 18 153.750671 20 155.352524 18 156.240036 28 158.942078 58 159.02681 27 159.931702 18 160.022705 25 160.082748 20 160.962036 40 161.045319 1327 162.048538 129 162.764816 28 163.050125 22 163.484131 28 166.397995 18 168.019119 37 172.407028 17 173.303436 18 173.699234 28 178.498428 42 179.054626 690.162048 179.264618 35 180.061478 40 181.065186 38 188.947311 59 192.552078 18 194.425186 19 200.954681 18 202.932343 108 210.955521 21 212.410492 24 212.44339 18 214.574631 21 215.054657 21 219.736282 25 220.777344 17 221.065781 1295 221.843414 20 222.073563 18 222.428223 26 223.074265 24 223.686432 20 231.084213 19 232.354828 28 233.034332 24 234.220627 24 234.452118 27 236.957367 50 242.679611 27 243.384048 18 254.360413 24 256.402863 41 260.946564 18 262.43576 21 262.800385 22 263.075165 198 264.077209 64 267.962555 17 268.993469 18 270.013733 18 273.44046 27 274.380463 24 280.572479 26 281.012177 24 281.091278 382 282.053772 31 282.092651 18 282.550507 32 284.689575 38 285.042206 17 287.929443 18 293.13443 17 298.01239 23 299.13739 22 299.704803 27 300.070435 21 300.876617 44 301.872009 22 309.068237 18 309.985443 20 315.059174 21 324.780975 21 332.202026 22 333.216919 18 341.105042 114 343.123871 130 344.128082 18 344.864258 37 345.863373 47 346.868164 37 351.862946 27 353.78714 22 355.962219 29 357.935669 22 377.080719 418 378.082001 135 379.083618 258.737671 380.087982 59 393.302429 20 398.054962 18 404.115173 19 407.103333 26 434.591919 31.000002 452.271759 19 486.308838 25 505.069824 20 506.144684 18 517.713867 25 529.085754 18 558.225464 28.999998 631.060364 19 641.772522 20 683.217529 56 684.26178 21 738.092041 21 850.820312 18 874.232666 24 910.931763 18 999.187256 18 1021.897278 24 1025.339722 18 1060.193359 18 1075.338135 23 1086.310181 50 1090.811279 22 1094.535278 18 1124.760864 23 1128.774658 20 1155.82251 20 1182.213867 20 END IONS BEGIN IONS FEATURE_ID=339 FEATURELIST_FEATURE_ID=Aligned feature list peak:339 MSLEVEL=2 RTINSECONDS=386.56 PEPMASS=431.10423 FEATURE_MS1_HEIGHT=5.201E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8:2281"] SCANS=339 Num peaks=37 60.991425 95 72.993332 19 76.158226 25 87.008202 47 88.002922 135 88.043167 32 88.987572 5226 89.022575 335 89.051903 18 89.173141 20 89.281517 20 89.294647 21 89.30545 18 89.957649 28 89.991676 121 90.031265 27 90.985191 23 91.003586 18 92.966476 23 101.027 52.743717 158.091904 20 159.89415 18 162.999527 27 175.019653 17 198.012573 20 218.392319 18 269.141541 18 305.998993 27 341.103699 53.459141 342.121368 20 343.113312 20 375.062744 22 421.663574 17 431.142975 36 433.24054 22 636.829285 19 911.901489 20 END IONS BEGIN IONS FEATURE_ID=340 FEATURELIST_FEATURE_ID=Aligned feature list peak:340 MSLEVEL=2 RTINSECONDS=386.57 PEPMASS=719.20195 CHARGE=-1 FEATURE_MS1_HEIGHT=6.095E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8:2020"] SCANS=340 Num peaks=31 131.033554 20 179.053497 18 198.7556 20 221.959335 20 236.656052 19 263.072144 18 341.112061 301 342.112976 40 344.914246 22 347.433807 19 347.687897 21 371.587433 23 375.211975 17 376.945953 18 377.084869 10740.739258 377.211273 19 377.452026 21 377.520325 19 377.876068 17 378.089203 1381 378.996216 20 379.082031 4276 379.872833 37 380.088715 208 380.358704 19 381.08432 41 382.489044 17 419.140106 18 504.997955 25 718.621826 20 721.203674 20 END IONS BEGIN IONS FEATURE_ID=341 FEATURELIST_FEATURE_ID=Aligned feature list peak:341 MSLEVEL=2 RTINSECONDS=387.47 PEPMASS=341.1081 CHARGE=-1 FEATURE_MS1_HEIGHT=4.346E6 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8:2131"] SCANS=341 Num peaks=125 53.002785 39 55.018681 162 56.996754 59 57.033176 20 58.007759 20 59.013241 4034 59.95697 17 60.015705 142 60.387234 18 61.017059 41 69.033096 38 71.013504 5255.339844 71.69339 17 71.936356 20 72.017822 168 72.564766 20 73.029358 314.389496 75.009621 23 75.189819 17 81.031631 43 83.012642 184 84.007782 22 84.521217 18 85.029152 634.988831 86.030479 61 87.009727 347 87.040199 17 87.756844 19 88.347084 20 88.565674 20 89.02401 10237.098633 89.081543 20 89.28273 18 89.396553 18 89.945938 20 90.02758 334 90.319 20 90.639931 21 90.781715 18 91.028709 87 91.231071 24 95.015152 233 96.014053 18 97.029839 151 99.03743 17 99.053398 18 99.771866 19 100.752014 18 101.024361 8523 101.173889 18 101.361664 18 101.455429 20 102.026558 331 103.030167 55 103.124084 20 105.696587 18 107.035507 38 111.00692 71.823792 113.024551 4649 113.207993 18 113.288788 17 113.43325 27 114.028778 239 114.585022 23 114.85936 18 115.03347 43 115.052582 17 118.961143 22 119.034698 6390.775391 119.32476 17 119.528481 18 119.649887 18 120.016029 20 120.041084 284 120.491264 22 121.038055 17 125.022354 127 127.031418 28 131.034027 798 132.035309 116 133.033493 32 133.847351 17 134.040878 20 139.569412 18 143.03569 1094 144.040268 84 145.031769 39 147.237076 19 149.045288 855 152.45697 18 159.031281 17 161.045563 2249 161.419815 17 161.863037 23 162.048294 73 167.557907 22 176.468414 18 179.016602 20 179.056183 6342.46582 179.448669 19 180.059952 530 181.061066 77 186.957428 17 191.048019 23 197.443863 18 200.740494 25 210.66954 18 210.695892 35 221.070557 51 251.078262 20 251.569412 20 269.256226 18 277.670135 18 278.427429 22 281.084229 19 297.23996 18 323.091278 19 340.973053 17 341.109314 7865.942383 342.112823 1073.703003 343.110962 251 344.124725 18 420.285095 18 607.545288 19 844.458923 22 END IONS BEGIN IONS FEATURE_ID=342 FEATURELIST_FEATURE_ID=Aligned feature list peak:342 MSLEVEL=2 RTINSECONDS=387.47 PEPMASS=387.11366 CHARGE=-1 FEATURE_MS1_HEIGHT=1.252E7 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8:2130"] SCANS=342 Num peaks=1520 51.024532 79 52.027431 32 52.731781 20 54.052357 18 55.018471 2162 56.02103 74 56.997196 351 57.033325 335 57.513237 19 58.008347 116.87587 58.179256 38 58.431847 26 58.613148 23 58.826756 20 58.979378 19 59.013283 46429 59.036285 63 59.047333 257 59.069809 18 59.083958 18 59.125847 17 59.144672 17 59.230843 18 59.244576 19 59.259354 18 59.283039 44 59.29858 18 59.333015 46 59.429382 17.45647 59.436314 18 59.464787 35 59.487949 18 59.510155 18 59.5476 20 59.581566 25 59.598145 54 59.619144 19 59.635227 25 59.760956 17 59.883457 35 59.90731 18 59.961906 27 60.016476 1405 60.177429 58 60.228031 18 60.276539 27 60.299114 18 60.356533 18 60.413464 30 60.679497 22 60.817543 18 61.017479 328.935638 61.026985 107.064369 61.252506 20 61.403625 20 61.677773 18 61.928963 18 62.810337 18 67.019714 61 67.546768 18 68.021965 19 69.033157 171 69.58168 31 69.604996 18 69.630234 27 69.752594 18 69.973946 18 69.989594 17 69.997543 16.50577 70.064774 35 70.632858 17 70.902534 28 71.01326 63392 71.051247 1019.291992 71.071686 39.640949 71.125099 17 71.149506 18 71.161507 42 71.187416 17 71.209038 40 71.22905 22 71.240952 38 71.256462 18 71.350075 18 71.361931 24 71.372231 19 71.402023 34.015751 71.416069 50.11776 71.455757 18 71.478935 17 71.489174 18 71.514328 19 71.528809 40 71.581482 18 71.62159 17 71.641075 20 71.658936 20 71.700638 18 71.787857 25 71.830498 17 71.860283 19 71.873672 20 71.896149 19 71.909103 20 71.935242 31 71.960175 20 71.988708 17 72.016945 2616.37085 72.061378 64 72.172523 34 72.188934 19 72.247879 18 72.30941 18 72.401634 17 72.432938 18 72.505661 59 72.566284 23.811356 72.573746 20 72.601471 25 72.614365 23 72.720352 20 72.803368 17 72.994675 72 73.028992 2412.186279 73.046982 17 73.169228 20 73.226006 18 73.468742 17 73.701836 19 74.034492 86 74.425232 24 74.545837 23 74.668442 18 74.727211 18 75.008369 254 75.030678 21 75.433182 18 76.181839 21 76.770027 22 77.024384 76 77.783493 18 77.804428 21 79.014824 18 79.238327 24 79.539413 24 80.665436 18 81.033432 173 81.862663 18 82.03965 17 82.252487 18 82.772537 22 82.878693 20 82.913399 31 83.013588 4136.431152 83.076294 20 83.164566 20 83.294418 19 83.630707 22 83.705627 24 83.984825 22 84.019707 211 84.054268 27 84.285851 18 84.637794 18 84.731743 18 85.029305 5600.464844 85.086563 20 85.102142 26 85.145264 22 85.443718 64 85.501968 38 85.604088 17 85.786697 22 86.002487 45 86.032539 420 86.267532 18 86.906197 18 86.96447 17 87.008324 6395.651855 87.045982 472.305237 87.736023 78 87.773949 17 87.998528 17 88.012825 225 88.034515 17 88.0541 19 88.749527 17 88.779099 35 88.859085 17 88.944603 56 88.967735 35 88.977661 44 89.002563 55.100574 89.023941 117668.523438 89.066765 6023 89.13018 120 89.16304 18 89.186287 18 89.214844 40 89.229477 18 89.278572 18 89.291496 37 89.311226 17 89.328354 55 89.350517 19 89.370255 19 89.397835 44 89.426483 29 89.458267 35 89.473236 18 89.486679 22 89.528671 22 89.544846 52 89.559059 18 89.57196 20 89.593895 47 89.623123 32.852657 89.641914 20 89.673897 18 89.684837 47.29998 89.755653 18 89.77243 20 89.808876 40 89.828415 18 89.85479 19 89.877388 24 89.887245 22.56358 89.907753 17 89.9478 30 89.970276 76.18663 89.981064 17 89.99752 17 90.027428 5288.459473 90.057739 20 90.074654 48 90.090706 19 90.103722 18 90.127151 18 90.173111 20 90.219917 18 90.238167 17 90.252998 35.329128 90.261917 17 90.28006 20 90.295631 39 90.339256 19 90.35376 18 90.377205 18 90.39888 20 90.444862 21 90.507027 18 90.544403 40 90.578011 22 90.662544 18 90.700027 36 90.732262 22 90.792671 18 90.812714 20 90.822838 18 90.992279 18 91.02813 999.515381 91.142555 43 91.219154 18 91.316704 18 91.33017 20 91.449913 21 91.538811 20 91.565758 18 91.611092 17 91.934845 19 92.032478 39 92.11422 21.200312 92.126556 18 92.192604 18 92.238098 18 92.455765 20 92.72905 21 92.767258 39 92.818062 17 92.953354 19 92.974838 19 93.037025 18 93.40419 18 93.468819 20 93.485786 20 93.538582 34 93.799751 23 95.013 2475 95.072273 40 95.461838 20 95.849297 18 96.01606 231 97.028717 1304 97.085396 22 97.101761 18 97.372688 18 97.440521 24 97.974709 19 98.026497 45 98.544128 27 99.007851 909.05481 99.044235 572 99.118011 27 99.355408 22 99.40567 18 99.532089 17 99.56974 78 99.587578 18 99.610596 32 100.010178 39 100.021088 71.190384 100.049301 63 100.118683 25 100.236763 18 100.567528 17 100.598419 21 100.786461 17 100.996933 40 101.023911 113471 101.069504 5513 101.089821 18 101.136703 88 101.167892 36 101.18589 47 101.209442 55 101.225998 48 101.272758 90.042137 101.291214 34.485439 101.330139 20 101.345604 44 101.378471 36 101.41124 20 101.425827 32 101.470047 20 101.48053 19 101.519859 41 101.553131 41 101.579041 70 101.596237 25 101.608376 43 101.66925 86 101.697098 18 101.709221 18 101.719925 18 101.745338 55 101.798111 18 101.833115 22 101.902168 23 101.94825 18 101.98999 20 102.027725 6461.693359 102.050362 20 102.068039 43 102.080589 18 102.098465 54.379879 102.129982 53.11655 102.180176 18 102.21405 18 102.244453 50 102.28167 20 102.303085 20 102.319023 21 102.471481 55 102.512405 18 102.538681 44.027554 102.552406 18 102.568733 22 102.676849 20 102.705795 18 102.76841 35 102.78054 38.236645 102.788147 16.134176 102.852142 18 102.90213 22 102.925171 19 102.943253 17 102.968178 29 103.030052 933.942932 103.068115 26 103.080719 18 103.182259 20 103.225159 19 103.34523 25 103.437454 19 103.612274 19 103.648155 17 103.700974 18 104.032448 58 104.116394 36 104.138603 18 104.184647 20 104.21804 26 104.240273 26 104.35704 55 104.554985 20 104.689209 79.298172 104.875122 20 104.956879 21 105.013435 18 105.079338 24 105.191345 21 105.205345 20 105.581215 24 105.597252 18 105.671158 18 105.735939 29 106.027718 19 106.401176 20 106.477264 22 106.593277 17 106.89167 27 107.011154 54 107.034782 2389 107.073456 17 107.468735 22 108.018501 35 108.037308 90 108.490433 22 108.584389 21 109.03376 22 109.045708 36.132 109.190681 18 109.257652 24 109.507927 20 109.529442 35 110.662498 17 110.803009 23 110.990746 20.234932 111.009979 417.792389 111.043533 54 111.152084 20 111.182159 19 111.355614 32 111.36702 17 111.396111 52 111.434685 19 111.926918 18 112.012787 50 112.085182 17 112.223419 17 112.40554 44 112.516991 35 112.826248 18 112.953186 58 112.985191 20 113.002113 36 113.024216 65100 113.072594 929.697876 113.09301 26 113.193657 23 113.212837 19 113.242111 38 113.316666 18 113.48381 35 113.522858 18 113.536087 28.508978 113.559486 18 113.615295 30 113.722542 18 113.79689 20 113.905197 20 113.950516 20 113.967796 17 113.983704 18 114.003593 18 114.028168 4849 114.087685 19 114.140839 18 114.153488 33.633919 114.185745 17 114.223595 21 114.412674 18 114.520561 31 114.651878 18 114.864868 35 114.998589 23 115.027824 433.387634 115.041107 796.704102 115.060585 25 115.18589 18 115.462822 20 115.477905 18 115.572586 18 115.586151 39 115.616158 20 115.883873 18 115.907852 18 116.014687 19 116.037704 59 116.311722 20 116.769936 27 117.019279 163 117.046043 42 117.293381 18 117.313179 40 117.345726 19 117.358925 18 117.671143 18 117.723587 22 117.934418 44 118.327415 39 118.363449 18 118.418015 18 118.483147 24 118.513992 36 118.781212 18 118.802063 18 118.946411 35 118.973007 51.763206 119.004059 134.28627 119.034576 90171 119.059456 31 119.084053 3185 119.107819 56.159927 119.135536 22 119.16095 78 119.205368 24 119.246384 36 119.267006 20 119.289925 20 119.319008 18 119.440079 22 119.4599 31 119.506348 42 119.559555 26 119.573441 41.493237 119.593201 18 119.62149 38 119.673592 30.712276 119.692062 70 119.72596 24 119.77327 18 119.821564 24 119.856117 28 119.911888 18 119.933113 36 119.94986 20 119.983223 21 120.038094 5397.321289 120.07769 22 120.093155 22 120.10582 21.926098 120.183975 17 120.361603 30 120.392471 41 120.459137 18 120.646751 19 120.74231 24 120.761475 20 120.796555 37 120.860138 17 120.873795 18 120.921875 17 120.952202 18 120.962868 18 121.039398 744 121.127518 21 121.306946 18 121.345718 18 121.494392 20 121.662766 17 121.754417 23 121.769478 18 121.819061 18 121.845894 24 121.958046 32 122.043739 45 122.075546 21 122.098183 20 122.181641 18 122.284958 21 122.304276 17 122.315903 19 122.408386 18 122.455917 27 122.512535 18 122.629486 20 122.944534 18 122.997314 21 123.045189 20 123.228775 21 123.933182 20 124.447273 17 125.024765 3200 125.454575 17 125.505432 28 125.730553 17 125.864174 22 126.027084 197 126.161102 17 126.600693 20 126.993561 19 127.030205 48.335091 127.043716 58.664909 127.317986 20 127.396172 18 127.533119 19 128.848907 23 128.920486 17 129.018616 557 129.226364 18 129.33046 18 129.506042 20 129.951904 18 130.026291 45 130.162842 17 130.242569 24 130.397705 18 130.453888 18 130.649994 18 130.778763 18 130.912827 18 130.958679 21 130.973785 22 131.004761 19.131054 131.03476 16913.632812 131.074387 39 131.133438 18 131.154526 18 131.218994 18 131.259598 35 131.277374 17 131.334854 29 131.37648 26 131.512543 23 131.64682 18 131.687134 22 131.705215 22 131.77005 21 131.782166 17 131.822708 26 131.978989 18 132.038284 949 132.172531 18 132.21698 18 132.468063 20 132.524857 20 132.54921 18 132.77562 20 133.040558 233.190384 133.163895 21 133.235123 18 133.338593 20 133.878922 18 134.678513 18 134.749771 19 134.911041 29 135.439484 18 135.702759 27 135.924088 31 136.040237 18 136.488007 29 136.553162 29 137.025986 19 137.176285 22 137.302841 17 137.430511 17 138.887329 17 139.271225 18 139.344025 23 139.448212 33 139.551651 31 140.603989 18 141.020844 456 141.062363 18 141.124146 22 141.910568 18 142.148483 34 142.364426 35 142.440292 19 142.53064 18 142.567841 20 142.743408 22 142.854523 18 142.97197 41 143.034775 30621.503906 143.086731 36 143.117584 17 143.15416 20 143.166168 18 143.406128 20 143.545242 38 143.626007 20 143.644424 17 143.684647 20 143.728699 17 143.749481 59 143.980743 20 144.038086 2603.189453 144.073135 28 144.208557 18 144.39859 18 144.430344 17 144.452927 18 144.551208 22 144.589249 22 144.659622 24 144.75119 18 144.978241 26 145.039536 334.975006 145.696045 18 145.725189 27 145.786041 18 145.825577 20 146.70752 19 146.742401 33 147.552155 19 147.775375 39 148.319077 17 148.369156 48 148.589447 19 148.775909 101 148.832306 20 149.015457 40 149.045395 14950.947266 149.483139 62 149.534851 22 149.586639 22 149.629883 33 149.73587 21 149.863205 18 150.048721 692 150.073303 19.013536 150.103577 19 150.145523 18 150.183304 18 150.790405 17 151.04921 332 151.109299 21 151.9021 18 152.052017 58 152.107391 23 152.493225 40 152.528778 23 153.132706 21 153.639435 17 154.256332 27 154.325424 29 154.598892 20 155.188126 18 158.714005 18 159.029144 309 159.313263 18 160.031784 67 160.091248 26 160.317856 36 160.71994 20 160.852783 25 160.893967 18 160.928436 40 161.001816 36.783115 161.013031 99.452011 161.045624 43754.449219 161.103378 231.000015 161.173019 18 161.204529 19 161.218079 19 161.319122 24 161.334717 17 161.422211 18 161.494598 36.229847 161.524796 20 161.567963 40 161.595581 19 161.629257 53.02177 161.66716 19 161.685425 20 161.718765 18 161.743439 78 161.786179 130 161.814804 21 161.84433 67.507027 161.867783 37.492973 161.886459 18 161.924164 20 161.960602 25 162.004272 20 162.04892 3082.810059 162.081253 24 162.111313 54 162.135742 19 162.155624 45 162.230438 17 162.249939 18 162.307602 19 162.578552 37 162.74556 18 163.050018 505 163.168839 17 163.242676 22 163.460266 18 163.995102 22 164.055359 27 164.326935 26 164.516495 19 164.552643 17 164.699554 18 164.830597 18 165.018234 39 165.223938 18 165.248672 24 165.624283 17 165.792114 30 166.206253 18 166.336441 28.000002 166.375198 20 166.716751 20 166.759003 29 167.027573 17 167.107162 24 167.272263 18 168.745712 20 168.806549 28 168.914108 20 168.960648 25 169.328522 17 169.369415 17 169.58902 19 169.623901 18 169.727524 20 170.567886 18 170.61673 18 171.029617 20 171.484421 20 171.616074 18 171.994507 26 172.023773 17 172.434998 21 172.495041 22 172.542755 18 172.703094 21 172.832703 22 172.992004 25 173.046402 56 173.675003 25 173.699966 25 174.079529 17 174.338928 21 175.44606 20 176.433334 22 176.46051 41 176.685684 20 176.870789 20 176.989929 25 177.677856 27 177.838928 18 178.462143 52 178.511093 17 178.696793 42 178.722946 17 178.796906 18 178.828918 31.171392 178.844681 34.828609 178.932922 56.8633 178.968613 65.606964 179.016922 193.082809 179.055954 151776 179.11676 8815.327148 179.15213 19 179.174957 17 179.205719 1340 179.238907 65.17215 179.274246 269.115204 179.310471 21 179.372559 38 179.461349 18 179.484009 24 179.501678 42 179.648682 22 179.731354 17 179.799774 36 179.861389 36.598297 179.879898 35.401703 179.914642 32.600246 179.929489 40.399754 180.000107 40 180.059921 13026.908203 180.115005 42 180.212173 63 180.282394 27 180.330399 53 180.359482 20 180.390549 58 180.424286 25 180.463715 49 180.5056 86 180.541702 20 180.593369 18 180.645355 42 180.687393 39 180.808243 19 180.882187 18 180.901398 22 181.060013 3437.263672 181.19751 28 181.23465 38 181.365707 20 181.393814 18 181.44017 37 181.473373 18 181.625961 28 181.673981 26 181.692841 18 181.862457 40 182.065704 191 182.245972 36 182.356842 18 182.372375 18 182.428543 18 182.6884 17 182.928986 18 183.070312 18 183.135712 17 183.156494 18 183.240875 36 183.475418 18 183.568726 18 183.689224 17 183.853943 20 184.038483 26 185.040268 18 185.161453 22 185.250229 18 185.492279 17 186.031815 20 186.288391 21 187.127197 18 191.054382 139 191.368546 27 192.058563 42 198.500427 20 199.986145 22 201.198181 25 201.964935 18 202.624512 18 203.05983 107 203.089066 21 203.295212 17 203.810837 18 204.204147 19 208.053574 20 209.069778 125 212.47702 19 213.501495 59 214.511963 20 216.420746 17 216.543427 20 217.015518 18 217.116974 22 217.538376 18 218.938446 18 219.179459 17 219.603912 20 219.757767 20 219.815659 29 220.040329 18 220.205231 20 220.32254 18 221.066666 791 221.126831 19 221.392136 20 221.785889 20 222.074615 18 222.48056 22 222.779053 27 223.181488 20 223.570267 18 223.733871 18 224.867767 23 225.74707 23 226.097473 25 226.174042 18 227.245102 18 228.429794 56.000004 229.857849 22 230.07988 30 230.946182 27 231.050781 100 232.056747 18 232.212219 18 233.064651 54 233.151932 18 233.924423 28 234.16925 20 236.05658 29 236.556625 18 236.604019 18 237.052139 28 239.080963 159 239.619919 28 241.078339 39 241.099426 20 242.211517 18 245.046021 18 245.083237 37 246.080139 17 246.643555 35 247.736023 32 249.062393 222 251.074905 174 251.261078 18 252.080719 17 252.6474 41 252.75415 18 254.99353 20 255.635086 18 255.654953 22 256.155121 28 257.113647 21 257.599335 25 259.067444 22 259.7659 20 262.347717 24 263.078735 193 264.07843 22 264.104309 19 266.68457 25 266.873138 31 267.114655 18 268.433258 20 269.716858 28 270.226105 17 270.780029 18 271.371948 18 271.525208 22 272.171661 26 272.480255 20 273.517517 32 277.506683 18 277.990021 22 278.231018 19 278.354797 19 278.652527 19 278.850708 39 278.939728 35 281.087494 1596 281.200317 18 281.404205 21 281.965515 17 281.986359 24 282.090027 109 283.093445 41 283.171509 18 283.839355 18 285.577301 18 289.274048 29 290.467316 18 291.266357 20 291.485443 32 291.620728 18 293.085449 32 293.544495 26 294.335358 21 298.827789 25 300.218323 25 300.867584 23 301.083527 25 303.454193 18 306.001862 19 308.258301 22 309.082001 21 318.31778 37 321.009613 18 321.088806 18 322.089691 19 322.547607 18 323.100037 338 323.213226 18 323.396942 20 323.880188 21 324.09729 75 325.200653 20 327.692657 18 327.732208 30 331.464752 17 331.570953 18 331.837891 30 332.781982 21 334.017456 18 334.524261 18 334.609192 18 334.759003 28 334.884583 27 334.912354 46 335.391113 22 335.848145 28 336.02951 130.065826 336.074432 198.153458 336.147705 235.864304 336.208557 20 336.277588 19 336.521729 19 336.615417 18 336.817902 38 336.873322 20 336.897766 38.52161 336.954498 17 336.974792 22 337.061249 18 337.087006 24 337.138672 73.247917 337.604309 18 337.814545 24 338.104523 45 338.954346 21 339.087402 89 339.158234 18 339.195679 18 339.319305 18 339.355835 27 339.485291 40 339.528961 20 339.599091 18 339.812286 18 340.040497 18 340.0802 18 340.44751 52 340.510315 46 340.608765 96 340.682892 108 340.726044 53 340.76416 64 340.790955 72 340.82312 39.057499 340.874084 44.485752 340.927856 201.164948 341.000366 203.22081 341.051605 161.560211 341.109528 485361.96875 341.194305 35902 341.274445 3698 341.315247 12502 341.378876 8226.121094 341.404602 8562.878906 341.468262 5119 341.509094 332.849304 341.570709 92 341.632172 54.37405 341.659088 90.856934 341.718903 38 341.774109 22 341.866272 18 341.921173 18 341.978149 117 342.065247 833.301453 342.112946 94796.015625 342.19873 11892.510742 342.234375 1966.083618 342.28067 3764.042725 342.321808 7199.208984 342.372162 3503.177246 342.413513 2074.378906 342.448181 386.427185 342.507507 65 342.537933 39 342.821747 17 342.900513 89.887665 342.984222 138.298172 343.00885 160.701599 343.053864 2982.50415 343.114441 27729.851562 343.164673 841.221741 343.205078 7085.878906 343.27655 1068.854736 343.315796 2627.931641 343.414062 56 343.565216 17 343.654846 18 343.741028 80 343.804352 36 343.84375 88.765999 343.906799 93.287674 343.929108 115.709061 343.97934 1106.479858 344.031006 2177.570068 344.069183 1483.351074 344.117889 5586.506836 344.154602 1128.134155 344.202179 1150.144043 344.241882 436.239075 344.281158 75.779289 344.362854 73 344.684418 20 344.70813 20 344.813965 86.654541 344.844879 55.768875 344.900238 291.553711 344.945007 824.111206 344.997345 891.345398 345.050385 1033.44751 345.112488 350.517487 345.213562 35 345.329346 17 345.447083 19 345.509155 20 345.587891 37 345.694183 18 345.76947 18 345.801575 68.400047 345.898621 402.555847 345.953796 241.708252 345.987579 109.930672 346.023468 95.899162 346.152191 18 346.179382 26 346.220795 19 346.602905 18 346.636414 22 346.684021 19 346.732147 18 346.809418 18 346.863586 97 346.913025 78 347.156982 17 347.376007 26 347.442352 18 347.536865 38 347.632568 36 347.676971 18 347.725281 60 347.762604 37 347.834442 18 347.880005 36 347.94455 36 348.014984 77.58728 348.067749 18 348.13147 18 348.420837 18 348.449524 24 348.514954 54 348.599091 61 348.709534 36.338337 348.759277 25 348.861237 18 348.93219 18 349.201965 33 349.349182 20 349.387665 18 349.509155 17 349.591064 18 349.673767 17 349.737549 40 349.919281 18 350.096497 19 350.191986 18 350.325775 17 350.355072 48 350.435852 18 350.549805 17 350.648712 30 350.885223 34 351.034637 18 351.074432 64 351.1763 17 351.301697 17 351.543243 20 351.667786 20 351.88913 25 352.180298 25 352.331726 19 352.492432 18 353.135162 18 353.213104 27 353.36087 25 353.389862 17 353.967743 18 354.155884 18 354.714691 17 354.785645 18 355.297485 26 355.569122 18 355.797821 18 356.276581 24 356.852386 27 357.305237 25 357.338531 18 358.157104 20 358.407196 22 362.192993 24 363.182465 20 365.325073 22 367.208344 17 367.761749 18 368.178711 18 368.720978 19 373.849365 19 377.448547 18 381.416565 27 381.461761 64 383.432709 21 385.935944 38 386.937592 21 386.985046 51.525829 387.02536 39 387.060699 55 387.114136 57224.644531 387.205627 2466 387.289093 129 387.334045 637 387.396057 369.888733 387.432159 445.591217 387.497803 107 387.538422 17 387.915466 22 387.99942 18 388.118469 10803.5625 388.209686 539.234619 388.261749 50.945183 388.332458 444.473389 388.418854 282.055756 388.502014 49.590961 388.530029 19 388.804321 20 389.071411 31 389.11911 2552.943359 389.227875 207 389.305267 97 389.34256 195.129883 389.391571 172.663025 389.438782 87 389.478058 50 389.664154 26 390.076813 26 390.119293 381 390.1763 18 390.215607 90 390.264496 20 390.315491 74 390.356598 58 390.413696 44 390.45401 24 390.818329 18 391.058472 18 391.132263 85 391.192383 18 391.224182 24 391.273102 59 391.335846 44 391.420288 18 392.04245 21 392.11554 18 392.153412 38 392.186035 22 392.247131 25 392.284088 39 392.338593 36 393.043762 26 393.178619 25 393.235138 18 394.150238 17 394.1922 17 394.297028 17 395.152344 18 395.194305 18 395.255219 18 396.046478 17 396.134369 18 400.824463 24 401.213013 28 401.398621 20 402.282043 18 402.532501 17 411.187012 26 413.139709 20 414.624969 20 418.564514 39 418.730499 45 418.819183 17 419.594025 22 419.646576 38 419.743835 32 419.994293 39 420.046356 26 420.117828 20 420.164307 33 420.216553 65 420.31366 27 420.498901 20 420.524719 18 420.568146 18 420.641968 21 420.724396 19 420.795349 25 420.99057 23 421.091736 19 421.555511 29 423.772522 20 427.521149 20 428.536499 28 430.273956 19 440.597412 18 457.50708 18 462.681549 18 472.287292 20 475.081604 29.000002 475.727112 18 476.393036 26 476.52597 18 476.59668 24 484.841187 22 486.068298 23 491.170654 18 503.034363 28 503.389587 25 504.745392 20 505.184296 44 512.263245 20 524.005737 24 527.695862 24 530.34491 22 532.682983 29 533.189209 20 545.840393 47 557.925476 24 560.098145 17 560.477478 22 561.090576 22 561.182068 18 561.248413 17 562.144165 18 562.720276 20 566.356201 17 570.491516 40 571.181885 26 574.708801 18 578.441528 30 578.848022 23 584.571655 18 585.255554 18 587.678772 18 588.660095 18 590.036194 20 601.170776 18 603.960144 19 611.182434 18 614.65564 21 615.458191 17 615.56366 21 616.05658 18 618.489319 51 630.571533 30 632.663391 32 636.760376 18 640.33136 21 647.359558 24 666.41156 25 670.971436 17 677.292603 20 682.435791 18 685.688232 21 690.961121 19 702.4505 20 716.611328 18 716.66748 18 725.805847 22 729.433411 24 751.323669 18 757.76825 20 758.471619 24 758.924438 18 759.533752 18 761.351074 17 762.098694 17 765.090759 20 778.071594 25 788.728088 18 830.356018 51 831.848694 21 836.293457 26 840.762329 18 841.269104 36 841.686401 21 842.328064 18 842.425781 19 842.655396 18 842.751099 22 842.837341 27 842.981018 18 843.043152 20 843.482117 60 843.809204 22 844.272095 36 844.505188 36 844.57019 21 844.637817 22 844.7323 20 844.836609 18 845.033447 17 845.143616 39 845.220032 20 845.461609 17 845.575623 17 846.186523 18 846.680786 36 847.008179 43 847.223328 38 848.228882 25 848.873352 20 848.966125 23 857.360474 18 877.136597 19 891.067444 18 926.187622 18 927.797974 18 928.296143 40 963.538269 22 971.242859 18 1009.747986 19 1011.192993 24 1025.342163 18 1031.618408 22 1042.023071 20 1060.17627 19 1060.314697 27 1076.734863 20 1080.358521 18 1083.324829 18 1089.647583 18 1102.368652 20 1131.749512 17 END IONS BEGIN IONS FEATURE_ID=343 FEATURELIST_FEATURE_ID=Aligned feature list peak:343 MSLEVEL=2 RTINSECONDS=387.51 PEPMASS=683.22495 CHARGE=-1 FEATURE_MS1_HEIGHT=1.772E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8:1976"] SCANS=343 Num peaks=55 59.01228 42 71.013046 202 87.007751 39 89.024033 495 89.386848 18 90.024117 45 101.026337 162 102.027588 42 113.024147 112 119.032822 338.494324 120.038078 23 125.021576 23 131.036423 45 143.034424 79 149.044495 106 161.04509 327.198456 176.499222 17 178.936554 18 179.05751 1346 180.063934 21 221.062302 73 236.086273 18 239.988846 17 263.07962 62 271.085876 18 281.088989 20 282.081421 18 292.480286 30 298.148621 22 304.419464 18 310.104858 21 323.220734 18 337.928406 18 339.200562 101 339.776031 18 340.20166 65 341.1091 9133 341.19931 49 341.328339 18 342.112335 1479 342.181854 28 343.112061 226 343.194153 28 344.538971 22 347.25354 22 360.22699 17 439.767731 17 499.73703 18 512.145142 18 527.822205 22 558.713928 20 683.22998 469.999969 684.234192 49 685.240784 43 845.044983 18 END IONS BEGIN IONS FEATURE_ID=344 FEATURELIST_FEATURE_ID=Aligned feature list peak:344 MSLEVEL=2 RTINSECONDS=387.53 PEPMASS=390.12188 CHARGE=-1 FEATURE_MS1_HEIGHT=1.081E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8:2138"] SCANS=344 Num peaks=113 55.020302 31 59.012573 1624 59.037518 43 60.016827 109 61.017284 144 65.198608 20 71.013718 1225 72.015923 245 72.292091 18 73.018456 287.260345 76.278999 24 77.025398 18 83.015724 18 84.018326 49 85.030037 91 86.036919 21 87.009407 45 87.033165 21 87.763458 79 89.024033 3571.900146 89.445847 18 89.875816 18 89.910873 17 90.028648 415.27887 90.35791 18 91.028557 931 92.579338 24 93.035912 32 95.010162 18 97.016251 36 99.008118 39 101.02404 1678.152832 101.298737 18 102.027534 681 103.029289 521.342041 103.116074 20 104.028549 20 108.037445 17 112.017426 33 113.024071 1186 114.027672 283 115.028831 292 116.035774 50 119.034462 2452.530029 119.476807 20 120.039139 533 120.356262 22 121.039192 879.46051 122.043457 21 122.795792 20 125.023003 18 129.026337 18 131.035568 282 131.195694 18 132.040146 88 133.039841 160 134.044815 20 143.035919 432 144.037292 141.539658 145.039398 212 149.046127 228 149.206406 20 150.05394 42 151.050797 170 152.060242 58 161.044525 683 162.049332 230 162.243988 21 163.051514 415.999969 164.060226 21 179.055786 2083 180.060242 1290 181.060364 2434 181.145157 17 181.496078 17 182.065628 240 183.068527 19 205.96788 18 217.561691 30 270.863037 17 283.089203 22 336.069763 22 338.053833 32 338.132477 19 339.279297 35 341.109222 1661.942749 342.064178 18 342.110931 1225 342.393005 18 342.554565 17 343.035767 19 343.113373 15227.888672 343.19989 18 343.317291 27.999998 344.116058 2490.591797 344.40036 32 345.118744 347.9245 345.476196 20 347.03891 17 347.378784 19 349.48584 18 356.972565 32 357.754852 20 377.778809 18 388.555939 18 389.11908 805 390.126007 104 390.381226 18 391.12674 53 488.152191 17 538.056824 17 538.094238 20 622.591553 20 END IONS BEGIN IONS FEATURE_ID=345 FEATURELIST_FEATURE_ID=Aligned feature list peak:345 MSLEVEL=2 RTINSECONDS=387.57 PEPMASS=729.23023 CHARGE=-1 FEATURE_MS1_HEIGHT=3.297E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8:2027"] SCANS=345 Num peaks=116 59.013863 202 71.01284 343.869141 72.852798 20 75.00724 19 75.247948 21 85.031967 22 87.010857 42 88.987267 20 89.024452 1435 89.125572 26 90.029259 60 91.028114 40 92.959236 18 95.017387 36 96.96125 201 101.023613 680.712036 102.0298 53 107.03582 20 113.023125 379 114.024803 21 119.034966 1219 120.03476 83 124.703079 23 131.032227 77 143.034241 283 145.460709 24 149.044937 276 150.552917 17 151.051331 24 161.045853 626.498047 161.537048 36 162.049301 42 173.222382 17 179.055222 3853 180.057571 334 181.050827 17 205.333908 17 213.186493 17 214.465347 18 220.098541 17 259.893921 23 283.900208 18 306.595001 29.000002 323.083679 27 336.149231 24 336.222382 18 337.811188 20 339.970215 18 340.188049 20 340.759705 21 341.059082 36 341.107605 40476 341.192932 194 341.393738 40 341.806763 17 341.937256 21 342.111023 7472.455078 342.177826 28 342.383118 18 342.407288 18 342.779205 24 342.873993 27 342.920654 17 342.959808 36 343.114258 1566 343.354248 18 343.486877 19 344.018707 18 344.115753 135 345.471161 20 345.743134 22 346.400909 18 347.203186 38 347.420593 24 347.680206 20 347.777832 18 351.374634 20 358.52063 21 361.380981 18 365.683105 18 372.150757 20 386.145966 18 386.841919 18 387.013489 36 387.113312 33260.785156 387.204132 54 387.775543 17 388.11795 5873.728027 388.367523 20 388.55423 27 389.118195 1090 390.122498 180 393.243561 19 394.010681 19 394.504974 18 409.063568 18 429.507568 21 432.115662 20 439.076569 128 471.153992 27 485.228424 20 559.933899 52 660.661316 18 681.165649 22 682.53363 18 683.088135 18 683.223022 540 684.228027 217 685.224915 22 686.635376 18 694.615784 31 732.125793 18 757.540466 21 869.390137 27 1025.360352 17 1197.348145 18 END IONS BEGIN IONS FEATURE_ID=346 FEATURELIST_FEATURE_ID=Aligned feature list peak:346 MSLEVEL=2 RTINSECONDS=387.68 PEPMASS=446.15108 CHARGE=-1 FEATURE_MS1_HEIGHT=8.803E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:2477"] SCANS=346 Num peaks=42 58.897438 20 59.01572 21 74.024323 255 75.008926 39 85.026917 20 87.004646 45 89.023491 36 103.001755 311 104.034676 5923.74707 104.412766 20 105.018448 4147.593262 105.039398 343.569 105.30088 18 105.327049 26 105.466896 18 105.61351 50 105.934792 18 106.022278 182.406479 106.385574 26 107.024963 47 108.196892 18 111.227852 18 114.017822 18 131.686234 18 142.995605 19 154.100784 20 158.04985 18 161.046677 20 172.39801 29.000002 180.925171 18 188.948898 22 196.886505 22 205.000854 24 222.063263 18 222.443741 25 256.972412 17 341.106049 149 343.108582 30 349.216553 18 384.069458 18 445.118469 18 446.15509 71 END IONS BEGIN IONS FEATURE_ID=347 FEATURELIST_FEATURE_ID=Aligned feature list peak:347 MSLEVEL=2 RTINSECONDS=388.40 PEPMASS=473.16253 FEATURE_MS1_HEIGHT=5.091E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8:2295"] SCANS=347 Num peaks=59 71.013092 43 72.027588 18 73.02951 19 74.025307 61 84.012482 26 87.039261 18 87.047661 21 89.024467 18 90.861458 17 95.023598 59 99.007874 28 103.429771 22 113.03476 797 114.020409 272.542542 114.037659 53.457462 115.002533 275 115.343948 29 119.049118 22 129.973999 41 130.05397 27 131.046585 5859 131.070068 20 131.578323 25 131.734009 19 132.030869 117.083199 132.045685 201.916809 132.286774 20 132.32457 28 132.868103 29 133.01384 2708.182129 133.048752 503.241547 133.124771 18 133.7388 18 134.014999 56 134.046036 135.674164 135.028641 195 135.050674 18 173.009033 23 182.134796 18 257.936554 22 279.683136 30 298.821472 24 321.427063 43 341.105682 18 343.128296 60 344.125519 18 355.709808 20 383.652924 33 427.090729 20 428.00528 17 430.996063 39 472.217529 18 473.162292 104 474.168396 17 476.165924 18 477.224731 25 617.254517 18 690.65802 17 839.159607 22 END IONS BEGIN IONS FEATURE_ID=348 FEATURELIST_FEATURE_ID=Aligned feature list peak:348 MSLEVEL=2 RTINSECONDS=388.42 PEPMASS=447.13742 FEATURE_MS1_HEIGHT=5.35E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:2498"] SCANS=348 Num peaks=54 70.027679 17 74.025055 195.262817 75.00602 64 75.022308 19 76.011932 20 84.542404 48 89.026703 80 91.308533 22 101.023048 23 102.023552 25 103.003403 62 103.493118 21 104.004372 18 104.034317 3029.346924 104.95224 47 105.018517 5495.28418 106.022697 188.6409 106.119583 18 119.031212 20 120.040047 18 129.02684 22 150.020828 24 153.003311 18 159.111649 17 165.06102 20 167.950699 26 179.05481 18 180.056778 19 181.07605 22 195.057465 26 210.980591 26 221.012955 17 222.172318 18 226.116257 20 235.094452 18 279.455505 27 280.961761 31 282.992065 18 332.513367 18 341.109467 123 343.122681 43 377.048218 25 382.999756 42 403.021515 25 417.660248 20 429.12735 20 429.157013 25 429.810913 21 446.064178 17 446.149078 59.064674 448.15271 38 449.119507 25 627.843872 17 725.457275 23 END IONS BEGIN IONS FEATURE_ID=349 FEATURELIST_FEATURE_ID=Aligned feature list peak:349 MSLEVEL=2 RTINSECONDS=388.53 PEPMASS=404.10395 CHARGE=-1 FEATURE_MS1_HEIGHT=9.016E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8:2041"] SCANS=349 Num peaks=180 50.639275 18 59.013226 18 59.222652 20 61.105099 17 61.11462 18 61.90583 17 61.968346 20 61.987911 15827 62.088581 18 62.135296 23 62.150555 57 62.19976 20 62.320419 20 62.32782 19 62.456028 18 62.475292 19 62.509666 18 62.563057 18 62.820396 24 62.876099 22 62.957085 17 62.986717 78 63.424896 19 63.521229 18 63.991455 158.347504 64.705002 25 65.488014 26 66.482742 17 67.914268 17 70.999123 24 71.011765 31 71.680115 20 73.941978 20 75.012901 17 77.468735 18 79.253105 22 79.311722 25 80.577545 40 80.906952 18 83.096352 18 93.457268 24 98.389809 21 100.254601 19 104.03231 19 105.292831 34 105.627304 22 108.893997 18 111.437866 25 113.089561 18 113.990776 23 115.377327 19 116.183052 20 117.141403 26 118.490898 18 118.9384 20 119.036621 29 121.789368 18 123.695839 49 123.722046 21 123.88829 31 134.198837 20 134.505264 21 138.333145 19 142.293747 22 144.266953 22 144.401169 42 150.51651 18 154.671631 18 155.11557 29 158.634903 18 160.62085 21 176.018356 21 177.48143 22 178.057129 20 179.053436 41 180.86882 18 187.776596 20 188.246933 18 190.133774 26 191.249359 27 191.461716 17 193.602249 18 197.666901 18 201.008636 21 201.270935 22 203.999207 24 204.025757 18 206.440125 17 216.509445 28 218.599854 22 222.150726 36 238.007492 30 243.406937 18 245.378922 18 250.368576 26.999998 252.674057 23 263.373383 30 265.204102 26 268.291107 24 268.871735 35 272.033203 23 272.674652 20 274.64563 20 278.877441 17 280.645721 18 290.384247 20 293.427368 20 293.790192 18 297.209747 20 298.483215 23 310.041809 20 310.446808 39 311.816101 22 325.188995 18 325.77655 18 327.105804 20 335.068085 18 336.62619 17 341.107147 178 349.178101 20 351.489929 20 367.093567 22 377.097015 34 381.451233 20 383.389557 18 387.117035 64 394.74588 25 399.104828 18 402.494873 18 403.089172 20 404.011444 19 404.104706 3208 404.315704 19 405.040863 25 405.1091 472 406.106934 130 407.642426 17 411.600464 18 423.442444 21 429.135529 18 454.075531 36 479.997711 19 488.155121 19 489.087524 22 503.149841 41 510.153961 21 511.156281 18 526.105774 26 533.333191 17 544.809204 17 578.133667 24 598.342712 19 683.213928 44 720.125977 21 729.223267 18 736.117615 19 759.369507 20 852.278381 19 880.219299 24 887.22937 18 903.239319 21 928.314148 55 939.741638 20 966.435974 18 979.894531 20 1006.721252 23 1029.732178 18 1047.306152 18 1050.797119 22 1056.830322 22 1062.109497 29 1078.246948 18 1094.721436 20 1099.408325 19 1099.895752 59 1103.187378 38 1104.241699 18 1119.212402 18 1126.488892 24 1145.295044 19 END IONS BEGIN IONS FEATURE_ID=350 FEATURELIST_FEATURE_ID=Aligned feature list peak:350 MSLEVEL=2 RTINSECONDS=391.73 PEPMASS=179.0555 FEATURE_MS1_HEIGHT=5.81E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:2527"] SCANS=350 Num peaks=41 72.988213 20 73.027534 40 75.005463 41 81.924179 19 83.556969 52 85.030258 18 89.024323 18 95.713203 20 95.979759 28 100.862534 22 101.993546 20 119.033966 24 123.972961 19 127.899689 28 134.986069 20 151.170898 18 152.50206 26 159.896164 20 160.890839 44 161.045456 23 178.977188 17 179.058578 20 184.012161 18 193.113159 20 212.446548 20 295.465698 23 302.360046 18 314.506958 30 315.189545 30 327.636841 17 337.319977 20 350.438538 28 353.145782 20 377.134186 22 381.687775 18 395.599854 19 425.662781 17 428.939453 18 452.006042 20 514.820862 20 617.492371 37 END IONS BEGIN IONS FEATURE_ID=351 FEATURELIST_FEATURE_ID=Aligned feature list peak:351 MSLEVEL=2 RTINSECONDS=398.34 PEPMASS=377.08523 CHARGE=-1 FEATURE_MS1_HEIGHT=7.237E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8:2372"] SCANS=351 Num peaks=97 55.019592 18 57.050644 18 59.013786 20 69.07325 34 71.014282 160 77.165466 22 80.760597 18 86.247276 22 87.004616 35 89.024261 231 96.376434 23 101.023689 289 107.17411 18 111.538826 20 113.022552 19 114.947006 35 117.282753 20 119.036072 222 120.038063 27 121.038048 24 125.024193 18 131.029953 20 132.737808 25 133.570892 22 138.309372 18 143.030853 18 144.966965 33 145.962143 17 146.152328 18 146.961472 18 149.052444 25 153.590912 21 155.985703 18 159.032516 19 160.931 26 161.046143 120 163.062988 18 168.03476 21 171.714523 21 172.028397 18 174.086426 20 179.055313 656 180.05806 42 181.315857 21 182.070053 24 184.758377 20 185.32222 23 187.176117 21 188.953506 51 191.012512 18 194.940414 38 197.450699 20 198.738998 17 202.92572 43 204.799271 23 206.313477 23 208.926239 17 216.361008 18 216.680435 17 219.112213 23 221.06752 364 222.070908 39 222.654785 22 225.021835 18 236.12175 26 241.979279 21 251.083588 23 256.878387 18 271.858276 20 272.872314 21 281.083618 40 293.085083 20 304.936249 18 306.09668 25.999998 335.174927 24 335.867432 22 341.115051 20 342.113617 39 343.12915 17 343.58902 18 348.112732 18 353.430603 39 356.967316 24 377.088837 540 377.7677 17 378.085602 154 379.081329 378 380.085876 37 434.653503 37 465.317566 41 497.178833 22 512.77063 19 552.804565 18 598.265442 18 627.193359 25 646.720459 20 873.88147 17 END IONS BEGIN IONS FEATURE_ID=352 FEATURELIST_FEATURE_ID=Aligned feature list peak:352 MSLEVEL=2 RTINSECONDS=400.09 PEPMASS=214.04815 FEATURE_MS1_HEIGHT=6.398E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8:1997"] SCANS=352 Num peaks=135 51.887917 47 53.407871 24 54.577377 17 60.317677 18 61.463398 17 61.869682 31 64.207024 18 64.250656 18 64.372009 18 64.763168 17 65.130768 31 66.967415 20 68.824501 42 69.549927 41 71.048134 17 73.771553 25 74.022034 21 74.587708 20 74.770012 18 75.167679 18 76.427307 18 78.234581 18 78.958519 1248 79.278854 34 80.046425 24 81.536644 20 86.994286 17 89.276375 22 89.414299 23 89.866066 18 90.656075 33 92.039124 18 95.574013 20 101.014641 39 103.043747 26 103.218697 28 107.430481 22 108.236603 18 108.800308 21 110.02195 18 112.148659 19 112.989578 21 115.00798 24 121.971901 18 124.210037 18 129.934204 17 133.046539 17 135.225952 18 137.559509 31 140.011078 1352 141.011475 90 141.946747 33 146.045547 35 146.959366 20 150.246964 20 152.997147 393 154.947678 17 156.623856 18 159.892319 18 165.312668 69 167.00058 21 167.966339 20 169.023651 27 169.908707 26 170.771408 23 171.003082 36 177.040741 20 177.90361 22 179.467834 20 180.454544 21 182.187042 20 194.681351 23 197.043549 21 197.987061 42 206.999283 18 209.980682 21 212.678329 23 213.020004 21 213.037231 17 213.523987 18 214.012924 29 214.049271 1133 214.320999 24 215.052353 73 215.087799 25 215.124496 18 216.474762 18 219.745865 18 222.255386 17 231.946625 18 240.709503 29 241.629547 27 242.027664 18 246.997467 19 247.14476 18 248.42392 18 251.482819 21 268.599884 18 276.037384 20 277.925385 34 294.227142 30.999998 304.422943 31 306.993866 18 310.62384 18 324.768646 18 329.918365 33 337.345856 20 338.650696 17 346.689117 20 359.292023 17 367.702759 20 375.548553 19 386.304962 18 424.993591 18 430.898285 18 435.452362 17 471.629852 34 481.10498 18 508.167023 19 521.111145 20 547.359741 17 562.27887 18 666.085693 17 807.594727 23 814.757874 18 849.511047 19 853.504578 59 918.030029 27 946.892822 23 1002.246643 32 1005.119202 18 1029.367188 19 1170.950439 23 1179.390381 18 1188.040283 21 END IONS BEGIN IONS FEATURE_ID=353 FEATURELIST_FEATURE_ID=Aligned feature list peak:353 MSLEVEL=2 RTINSECONDS=401.00 PEPMASS=306.07624 FEATURE_MS1_HEIGHT=6.225E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8:2183"] SCANS=353 Num peaks=236 51.279293 18 51.89122 18 52.651752 39 55.132252 24 55.482815 19 55.819435 17 56.055084 22 57.307339 29 57.638836 22 58.029156 21 59.525391 20 60.068432 27 61.32085 20 64.1325 17 64.322998 18 65.440453 18 66.168571 18 67.046379 17 68.092468 22 68.935913 27 72.083977 17 72.238106 18 72.299316 17 73.406799 18 74.025688 148 76.032135 18 76.330971 20 76.430672 21 82.029694 45 83.031021 17 83.978973 18 85.051605 39 86.023636 77 87.034203 35 87.049828 63 87.825409 20 87.992577 18 88.06089 18 89.199532 18 90.001015 33 90.512177 19 92.829445 41 92.916306 17 95.393433 19 95.677299 40 96.368462 21 97.160866 19 97.955254 18 99.033272 19 99.055 280 100.003464 19 101.072273 61 102.053291 43 104.954872 18 105.863403 24 106.712914 20 107.062637 39 109.076401 18 110.107262 33 111.009392 18 112.03849 18 113.022995 27 113.072914 37 116.193909 18 116.810234 21 117.930428 20 118.270294 35 120.015884 22 120.380791 20 122.286682 18 123.058853 75 123.090591 18 123.171982 22 123.668976 20 123.955132 22 124.036789 18 124.054352 17 125.035965 43 126.021172 31 126.056328 20 126.534843 44 127.050499 110 128.035461 980 129.037216 18 129.960068 20 131.074738 18 131.227615 20 133.03772 78.261505 133.052063 20 135.054626 101 136.043442 17 136.892471 20 137.073029 64 139.429703 20 141.065125 101 141.789551 21 143.045929 1836.237305 144.045639 108 144.720215 20 145.064148 83 145.24968 20 146.048294 161 146.734543 18 146.962357 75 147.012009 18 147.039261 19 147.204269 18 148.053894 33 149.035477 26 150.041107 20 150.91127 17 153.063751 245.520966 154.104507 18 155.047485 21 155.084335 36 159.893631 18 160.007797 208 161.006821 20 162.037323 17 163.109314 18 163.30835 17 165.156326 20 166.097717 91 167.045013 112 167.081833 69 169.964966 30 170.056915 64 171.077881 35 172.077759 18 172.957275 17 174.005508 17 175.114471 18 177.032608 92 177.167038 18 179.04512 329.285706 179.647156 18 180.042679 17 181.061203 18 182.059128 20 184.111313 26 185.052353 51 186.053467 35 187.32077 18 192.079849 75 193.057098 25 193.68689 20 194.605774 17 196.91481 46 197.052536 18 198.919083 20 199.751511 19 204.852142 20 210.08728 144 211.073074 22 211.089676 27 224.050491 18 227.882599 20 228.345474 32 236.323685 18 237.210831 18 238.064041 20 242.083084 38 242.382599 23 242.917587 20 243.093826 20 243.919724 17 245.290527 21 246.284409 26 247.263184 47 249.298599 17 254.08049 158 260.553802 24 262.93924 18 263.081696 25 265.153656 22 266.959045 19 272.086853 268 273.093201 52 273.3367 17 280.973114 26 282.012573 17 283.969788 18 288.070251 85 288.526672 18 290.034821 20 302.199371 20 306.074951 373.358307 307.08255 46 307.109833 21 307.154053 38 308.086182 19 308.141083 18 309.082977 37 309.169342 35 309.964935 25 311.542969 27 314.361389 18 317.229645 18 318.548767 34 330.43924 32 357.349304 26 357.439575 18 359.817352 21 359.840759 28 370.512054 18 373.627686 18 378.078735 22 382.242035 33 404.048767 18 404.112518 40 424.021637 34 425.839996 20 426.932129 18 427.385651 20 452.978882 18 473.067444 18 475.067993 18 476.573151 18 480.851593 22 514.349731 19 534.825317 18 538.624573 18 556.834778 19 637.151001 18 694.083679 20 694.770447 34 700.940002 18 921.151794 22 974.901428 21 1016.793701 22 1080.0448 18 1102.021606 20 1144.13147 20 1156.020752 20 1163.567505 22.999998 1175.527344 20 END IONS BEGIN IONS FEATURE_ID=354 FEATURELIST_FEATURE_ID=Aligned feature list peak:354 MSLEVEL=2 RTINSECONDS=404.76 PEPMASS=165.03985 CHARGE=-1 FEATURE_MS1_HEIGHT=6.447E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:2589"] SCANS=354 Num peaks=166 51.109077 27 56.298523 18 57.910007 18 58.782635 17 59.01228 44 59.844284 24 65.720558 18 66.909988 27 67.783119 23 68.278221 20 69.976326 28 70.664993 22 71.012352 26 72.757797 19 72.991669 22 73.293304 23 73.85849 17 74.01944 58 74.471397 27 75.008629 240 75.183464 18 75.234962 19 75.770531 34 76.01226 18 77.03952 46 78.194298 20 81.25341 26 81.676308 18 83.772881 21 84.24791 17 86.644043 18 87.699829 18 88.099159 20 88.34243 17 91.742836 18 92.344757 29 92.808914 18 92.839722 23 96.498329 20 97.437798 18 100.098495 20 102.514381 19 105.259895 19 105.51638 17 109.356232 18 109.646263 31 110.013313 18 110.311432 26 113.531433 18 114.160812 21 115.353333 18 116.341087 19 116.64193 22 117.010712 18 118.375038 22 118.983963 34 119.010826 27 119.412086 23 119.906204 30 120.088409 18 121.030678 24 121.047516 22 121.258324 18 122.342339 18 123.047165 20 124.934845 17 126.123131 18 126.270111 18 126.438324 40 129.016388 17 135.916245 19 136.012756 18 136.094681 20 136.211746 17 139.29129 18 140.100449 21 141.203796 21 146.187668 22 147.031113 114 147.892822 22 148.283264 22 149.007004 22 149.174774 18 154.289444 18 155.830673 23 159.605957 21 164.327637 19 165.038834 183 166.046738 61.999996 167.529449 22 168.70636 17 169.537186 18 169.793198 18 171.094437 18 173.138596 21 173.785233 44 174.342392 18 177.928268 48 180.052368 21 182.618225 21 189.149338 17 190.14595 18 191.026108 18 191.065948 19 197.119873 22 197.890564 22 219.221252 22 224.770691 42 225.203659 17 225.921295 18 227.356445 47 230.218613 17 233.862808 20 238.095215 19 243.810989 19 248.280701 23 249.10466 18 250.696335 20 250.993546 18 251.37149 23 262.484009 18 291.254242 18 294.395477 27 299.662659 21 310.153778 18 311.980713 17 335.199524 21 340.262451 22 341.86441 17 357.095367 20 359.642975 25 364.948761 20 372.472809 18 377.077698 24 379.095398 22 383.188507 18 386.132751 21 392.062408 19 402.385712 29 402.750885 20 418.801117 18 428.811768 18 469.564026 19 481.935242 19 482.123505 18 482.657104 18 485.162567 18 487.539948 21 495.866516 20 533.13269 24 534.916382 18 556.162476 21 653.304138 20 815.588379 18 820.897156 18 825.613647 20 878.608398 23 898.148682 25 902.023804 22 997.147705 31 1084.269287 17 1148.084473 18 1156.029175 20 1173.528198 18 1190.247681 31 1194.549805 23 END IONS BEGIN IONS FEATURE_ID=355 FEATURELIST_FEATURE_ID=Aligned feature list peak:355 MSLEVEL=2 RTINSECONDS=404.82 PEPMASS=179.0555 FEATURE_MS1_HEIGHT=7.77E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:2624"] SCANS=355 Num peaks=241 53.284466 18 54.13784 18 54.154469 23 54.549271 18 55.657261 18 56.303238 20 57.725903 35 58.222847 31 59.494514 17 59.792343 20 60.055237 17 60.647587 39 60.700813 17 61.259777 18 62.462975 19 62.720047 51 63.165661 36 63.890354 18 64.845322 21 65.630226 21 66.112755 26 66.175102 18 66.345718 18 66.752708 17 69.405174 19 69.762772 27 70.455757 23 71.014717 19 72.235985 18 72.988945 18 74.260735 18 75.006538 78 75.14846 24 77.037025 58 78.219971 23 78.393692 23 79.545654 19 79.834 22 81.0317 17 81.646919 18 82.154564 17 83.085541 22 83.810379 20 83.957314 27 84.023659 18 84.688171 20 86.091003 18 87.065567 31 87.920883 18 89.85582 18 89.871155 24 89.925522 20 90.995674 60 92.218819 27 92.991982 68 93.152664 26 96.21579 18 97.081886 30 99.008369 25 99.449036 18 100.086166 18 100.361504 22 100.579918 22 101.027107 64 102.198441 28 103.411491 19 104.241249 18 104.254761 17 104.872185 20 105.092125 18 106.434807 20 108.37838 17 108.644753 18 109.033348 20 110.905563 22 112.980713 18 113.029686 29 117.982735 17 120.709335 24 122.030098 20 123.021675 27 123.670265 35 124.012535 21 125.385201 20 127.143845 24 127.39727 18 128.250854 18 131.035767 26 132.042007 34 133.839127 18 134.991638 45 135.027512 19 135.212479 18 135.704865 20 136.132111 20 136.984253 38 137.00386 18 138.307343 18 138.892868 18 140.943604 23 142.205063 17 142.976547 18 144.433365 23 147.029175 18 149.372345 19 158.255844 36 158.946976 18 160.049789 29 161.048676 26 161.064682 18 161.746811 33 161.887787 18 166.043274 20 170.102188 20 171.80983 33 172.796661 18 172.823654 17 175.268509 18 179.057648 95 179.891861 17 181.071091 21 185.185211 20 185.504349 18 186.358994 18 186.673203 46 187.602997 20 190.969025 26 191.011002 55 193.539581 18 194.289124 20 196.167816 20 197.015121 29.999998 197.982468 46 198.76799 21 199.157654 24 200.794006 25 204.312576 22 205.057602 18 206.247421 18 207.053909 23 211.582672 20 212.74205 24 216.360077 19 217.408615 40 223.566208 22 230.943878 24 231.678741 25 234.487167 20 240.140472 25 254.003586 33 254.891296 18 260.358978 26 262.064148 66 265.237244 21 265.319946 22 272.429688 21 272.568146 18 277.117035 22 279.813293 19 285.445648 19 291.34906 18 293.005249 38 304.500946 22 309.132996 17 312.117493 17 318.480591 22 320.264313 18 321.68689 25 321.957092 18 336.224915 19 341.105103 46 349.804382 30 353.197357 30 363.078156 21 367.900146 22 377.089844 17 378.090271 26 404.115356 19 414.593933 24 414.690277 18 418.029083 29 418.671783 18 426.749756 51 442.369354 27 443.057892 22 449.487671 18 456.177094 28 465.233002 19 497.947327 29.999998 499.595154 20 510.452393 21 513.957947 18 524.526978 22 533.144653 17 544.121521 22 560.982971 44 579.595703 31 585.191162 21 585.852478 20 596.188171 18 597.026978 20 607.259399 17 611.165222 18 623.199402 31 637.095581 17 660.082825 34 666.645752 31 683.221985 22 684.288025 17 721.19165 24 729.32489 20 746.224854 20 809.125671 29 814.36908 18 823.067749 18 883.236267 19 986.103271 41 990.724731 22 1012.255066 17 1017.752441 17 1043.189941 17 1044.169922 20 1044.666992 18 1047.308105 29 1048.357788 22 1049.275146 20 1050.243652 20 1066.226562 17 1080.411865 42 1088.743286 18 1097.045532 19 1112.775513 20 1118.108643 23 1127.096436 18 1151.231567 22 1154.144287 24 1173.106201 18 1176.06604 22 1176.197021 25 1185.456909 55 1196.287476 18 END IONS BEGIN IONS FEATURE_ID=356 FEATURELIST_FEATURE_ID=Aligned feature list peak:356 MSLEVEL=2 RTINSECONDS=404.92 PEPMASS=404.10375 CHARGE=-1 FEATURE_MS1_HEIGHT=2.591E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:2629"] SCANS=356 Num peaks=180 55.743244 23 57.32893 19 57.627728 21 58.405529 26 60.161858 22 61.093567 49 61.77943 18 61.973198 16.287397 61.987713 5706.584473 62.03017 20 62.053822 18 62.294899 20 62.335361 17 62.428673 58 62.478775 20 62.963642 22 62.985641 21 63.993416 58 64.543327 20 64.707726 20 64.720657 29 65.477448 18 66.469734 20 69.804237 27 71.014397 18 71.237564 21 73.535835 25 74.24086 29 76.42646 20 77.287613 28 77.416168 23 80.051537 18 80.845039 38 81.181664 18 82.512787 26 82.570656 18 84.684807 17 84.984726 20 89.021797 23 91.771431 18 92.792091 18 98.069832 33 98.675407 20 99.739746 33 99.788643 23 101.029221 23 101.554497 19 105.650276 19 106.602463 20 107.427475 24 112.638947 20 113.187256 48 117.932007 29 122.338936 20 122.897728 18 123.355827 20 124.385551 18 125.736572 18 128.524948 21 128.748398 30 129.935715 18 131.401535 26.085569 131.412766 20 131.909622 18 133.98761 22 134.684891 18 135.729477 20 138.58313 26 139.336029 17 143.978134 22 145.453766 42 147.029175 20 147.896973 24 149.053482 21 150.630569 21 151.053711 19 154.605286 26 154.815552 23 157.768982 17 159.157272 22 161.037033 21 168.775406 23 170.858078 19 171.792892 33 173.829315 25 173.925476 27 178.698486 23 179.047913 17 179.557892 18 181.409027 25 192.97438 39 194.041504 31 195.667725 22 196.967239 20 198.075485 22 200.141449 21 205.282639 17 206.613968 18 214.390915 19 218.987335 26 220.260742 23 222.152466 18 223.937576 27 227.109665 22 228.225204 19 230.745697 22 230.981033 24 234.721405 25 235.280396 18 236.101318 18 236.353088 21 238.393265 20 238.434845 18 245.448242 20 250.80394 21 256.606659 22 258.20755 20 261.063843 20 261.373627 22 262.926819 27 263.552307 22 270.059052 21 271.1008 17 272.825073 33 278.351685 28 279.704376 22 280.066498 26 280.751617 20 284.024841 21 293.123016 34 299.968475 18 300.981689 18 310.765594 20 313.983032 20 314.017334 28.000002 319.102356 19 325.071106 18 330.824219 23 334.800476 29 335.979675 17 340.325653 28 358.978912 19 363.831696 52 374.527985 20 375.594147 24 404.103546 892.327271 405.102325 113.955063 406.111786 20 407.073059 17 421.214935 32 425.790009 18 427.997681 22 486.992065 18 487.176666 20 500.962585 18 507.577209 17 533.142944 36 534.372986 17 543.097473 21 604.16925 59 605.167908 18 645.425232 20 672.629028 18 683.201904 17 691.807312 18 720.136047 17 734.533508 18 908.88385 20 964.227356 24 985.663391 23 1004.329407 17 1047.310547 22 1051.178833 18 1086.304199 45 1101.293823 44 1101.817261 21 1115.287964 20 1126.334351 21 1148.564575 18 1163.707764 22 END IONS BEGIN IONS FEATURE_ID=357 FEATURELIST_FEATURE_ID=Aligned feature list peak:357 MSLEVEL=2 RTINSECONDS=404.95 PEPMASS=341.10785 FEATURE_MS1_HEIGHT=9.323E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:2630"] SCANS=357 Num peaks=102 56.997826 20 57.030693 18 59.013649 506 59.341331 20 67.014793 18 69.031158 18 71.013916 726 73.028336 204 73.456871 18 74.023628 22 79.901283 21 81.032654 40 83.013397 18 85.029144 269 85.129097 19 86.004257 52 87.009132 45 89.022934 1045.261475 90.029488 22 90.727364 31 95.627686 26 97.02317 21 99.03862 18 99.551544 18 101.023933 1912 102.030426 19 103.028725 40 108.01915 22 113.024933 543 114.028854 72 114.057259 21 114.523285 20 114.561424 18 115.003746 22 115.026184 17 115.039238 35 117.017403 25 119.035088 392 120.035423 18 122.335556 17 126.019211 17 127.034706 18 128.06366 18 130.134598 17 131.035553 260 132.037994 82 133.019043 83 134.054245 18 135.89679 38 136.071671 21 138.066101 21 139.036835 17 143.03299 73 144.034729 45 147.838943 25 149.042374 91 150.041992 192 152.069702 23 155.640259 22 157.389069 29 158.567917 18 158.710571 20 159.027374 17 160.979858 20 161.044128 651 162.051849 19 163.112946 18 177.090179 25 179.055145 604 180.067001 307.736572 180.484985 20 186.889984 20 190.059525 18 200.912918 24 205.27803 21 221.068726 733.315308 222.068024 68 222.094955 26 236.948685 25 239.071106 18 248.915985 18 251.08107 17 252.55069 30 253.962219 17 270.550507 26 279.826813 18 284.420227 18 293.839691 27 305.104279 18 311.103821 40 340.194061 33 342.118317 53 352.911804 18 374.544159 17 407.185638 31 422.089569 25 453.718353 17 460.079498 20 487.271667 18 604.893555 17 740.179565 32 804.029297 18 END IONS BEGIN IONS FEATURE_ID=358 FEATURELIST_FEATURE_ID=Aligned feature list peak:358 MSLEVEL=2 RTINSECONDS=404.95 PEPMASS=377.08508 FEATURE_MS1_HEIGHT=6.993E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8:2423"] SCANS=358 Num peaks=99 52.501801 18 59.013939 115 59.034058 26 61.330914 21 65.292564 20 70.90963 20 71.01358 84 71.921585 22 73.030548 20 73.231049 20 74.0373 22 83.132668 20 84.026581 22 85.061699 25 87.005722 20 88.263916 18 89.022942 322 94.982475 22 100.966812 21 101.023468 216 102.026672 43 104.569641 20 105.397293 25 113.023972 98 113.103592 24 115.045547 31 115.498924 17 119.034813 130 125.024864 24 125.94046 27 128.930847 18 131.035675 86 139.589417 53 141.788193 18 143.036346 57 144.956619 19 145.197845 24 149.04483 36 150.43187 17 152.007889 20 152.055603 39 153.526276 18 154.200958 18 155.203934 18 155.78331 18 158.937622 54 161.046097 113 163.055939 18 163.704788 17 176.930145 29 179.055862 649 180.052551 19 181.075806 18 181.359009 17 190.522659 19 194.910782 25 199.737656 20 202.930191 36 216.018524 18 220.001999 20 221.063461 186 226.011429 21 229.414154 25 244.708557 18 251.075912 46 270.860046 41 271.448059 18 271.871704 23 281.090729 18 292.048615 18 293.991608 28 308.154633 25 311.163879 18 311.860107 20 323.095245 18 334.848083 20 335.014771 18 341.100891 18 341.486969 22 344.864471 35 345.860809 28 349.144745 22 358.991669 17 361.329407 21 362.277557 20 369.016296 22 371.178925 24 377.084991 358 378.085785 123.229378 379.079315 185 379.135559 18 393.651398 18 406.317871 18 435.20932 30 450.597168 17 714.275024 19 1075.060669 18 1166.327271 25 1184.473877 38 END IONS BEGIN IONS FEATURE_ID=359 FEATURELIST_FEATURE_ID=Aligned feature list peak:359 MSLEVEL=2 RTINSECONDS=406.39 PEPMASS=566.15653 FEATURE_MS1_HEIGHT=6.156E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8:2423"] SCANS=359 Num peaks=165 52.212643 18 52.682415 34 56.838211 20 57.439575 22 57.502354 43 59.458794 18 61.98793 798 62.08345 19 62.109024 20 63.066071 21 65.391899 20 65.705055 18 66.922913 26 67.313591 20 68.476761 22 68.623932 23 70.506599 19 73.030594 18 73.105774 20 74.58905 26 75.420944 20 76.394226 24 76.847198 30 80.130486 18 80.170845 20 82.625992 18 83.283287 26 85.019028 17 85.360146 20 87.089081 26 87.71846 20 87.870369 19 88.07299 20 89.021248 18 89.384712 21 89.967918 19 90.657158 25 91.287819 19 92.623489 20 99.008064 18 99.994194 18 102.78817 18 103.130608 23 104.098282 46 104.389816 22 106.459076 25 109.795906 18 110.541336 18 113.58226 25 114.659409 25 123.442795 20 123.485153 20 128.542252 31 144.083176 19 146.412231 18 147.931625 18 149.690094 32 150.050003 20 151.754135 20 156.982101 27 157.356064 20 158.044434 18 161.042526 38 161.778519 20 164.941238 20 165.022842 17 165.863174 18 167.273697 17 167.858459 18 173.05014 21 177.69368 21 178.959488 19 180.473495 20 182.365829 20 183.108032 22 183.326096 45 190.284225 22 195.04541 18 199.528641 19 199.730453 22 200.417221 20 202.027847 17 203.059357 19 206.010269 17 209.0383 23 212.484756 20 213.147232 20 213.645554 20 216.51123 22 220.544312 20 221.238602 17 223.048981 72 224.995865 18 226.063629 18 226.522354 20 227.06012 20 227.990311 18 244.957291 18 250.035431 26 251.003204 26 257.658966 22 258.232788 41 270.160767 18 274.82373 21 277.129883 18 281.050262 23 282.19104 24 283.007843 19 297.30011 20 302.806519 18 303.495758 20 303.886322 38 304.996185 18 306.99234 18 310.959656 20 318.224274 25 321.757141 17 323.641968 30 327.048492 18 330.498718 21 335.000366 26 341.110626 21 342.114258 42 344.030792 23 354.082031 26 354.692352 20 357.671875 21 362.592804 22 365.565186 29 370.176086 20 377.088684 18 380.080597 18 386.994232 24 404.077484 23 404.110077 37 406.370148 20 414.832062 52 426.128601 19 441.13089 18 479.241516 32 490.029694 17 503.165344 45 521.173035 18 522.245178 23 540.141968 35 547.005066 28 562.411987 24 566.157837 659 566.659668 25 567.161011 231 568.151978 17 569.180542 18 679.620422 22 686.159973 18 697.46698 17 705.209045 18 837.329468 29.000002 897.126953 33 958.436035 18 1043.966431 25 1099.109375 20 1116.570557 18 1146.619629 32 1161.237671 18 1165.819092 19 END IONS BEGIN IONS FEATURE_ID=360 FEATURELIST_FEATURE_ID=Aligned feature list peak:360 MSLEVEL=2 RTINSECONDS=410.05 PEPMASS=243.01755 FEATURE_MS1_HEIGHT=8.637E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8:2116"] SCANS=360 Num peaks=132 51.354397 21 52.259293 20 54.652588 17 54.948895 20 55.901638 27 56.60622 24 57.380993 18 57.947701 18 59.013531 84 61.989777 39 64.201088 25 66.796303 20 68.031746 18 68.939774 22 69.468765 22 71.013824 75 71.465622 18 71.750031 28 73.385941 18 74.026314 20 75.569717 18 78.365395 18 78.848419 18 79.956909 1115 80.96508 458 81.952629 92 82.191277 20 82.961876 20 83.851433 22 84.952576 20 85.037941 19 87.285126 30 89.023849 152.886826 93.886353 18 95.013802 18 95.096169 20 97.024948 18 98.954521 19 99.230515 17 101.022003 18 103.192329 20 105.967041 20 108.114571 19 108.434227 22 111.391472 20 112.822166 26 113.029343 49 113.904305 17 115.336739 18 115.517502 19 116.099663 18 117.040306 21 118.289062 17 118.869904 18 119.024422 27 122.516907 20 122.810028 18 124.140274 18 125.978027 26 126.161499 32 126.682899 24 138.998749 18 139.854477 20 142.419876 22 144.426834 20 146.156021 20 146.965027 25 149.903473 18 151.67543 20 152.326935 20 152.910583 18 154.413269 23 154.614395 23 160.517181 18 165.651169 18 165.849915 20 166.009949 19 173.553802 18 174.510544 20 174.953415 18 176.593826 19 178.916229 22 180.856812 27 182.624924 22 183.966782 23 188.773438 18 190.440002 17 195.899643 19 198.984802 26 204.789276 17 207.182083 24 213.763931 18 224.858978 58 225.000626 24 226.206741 18 226.46582 18 227.054245 18 229.104218 24 236.103928 18 236.524872 22 239.756821 23 240.880035 18 241.913589 18 242.075775 19 243.018112 6072.245117 244.020828 557 245.016586 415.189606 245.21814 18 248.71843 25 250.007935 26 261.33197 26 265.456238 18 276.661499 20 277.977264 18 279.384094 19 299.065979 23 313.455505 18 332.675934 26 345.954651 22 366.845245 21 393.005157 20 443.375977 18 507.687683 24 519.525146 18 523.934204 23.000002 547.374084 19 550.82428 20 1007.91571 23 1038.670654 20 1077.272217 31 1136.218262 18 1148.125854 18 END IONS BEGIN IONS FEATURE_ID=361 FEATURELIST_FEATURE_ID=Aligned feature list peak:361 MSLEVEL=2 RTINSECONDS=412.86 PEPMASS=549.16651 CHARGE=-1 FEATURE_MS1_HEIGHT=1.265E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8:2469"] SCANS=361 Num peaks=166 54.658607 18 59.013714 255 60.015987 18 60.925953 30 63.034847 19 63.23875 18 65.271454 25 69.029808 22 70.228432 17 71.013626 668 71.051826 33 71.25235 27 73.029724 667.364868 73.778603 18 74.225792 27 74.519676 21 75.006371 19 81.035187 61 81.98243 21 83.012962 262 84.014099 18 85.028687 75 87.010521 78 87.043678 22 89.02401 1013 90.028984 35 90.343941 18 91.363205 18 97.028412 721 97.173622 28 97.308304 29 98.032906 106 99.042816 83 99.558136 18 101.003822 22 101.023529 2923 102.0271 199.835861 103.028198 18 103.039932 20 107.033661 17 112.442741 18 113.024231 597 114.028221 47 115.039169 381.688507 119.033302 837 120.752396 17 121.043869 20 121.700951 18 125.024765 158 127.007317 20 131.034927 134 132.045212 29 133.050079 82 135.465347 20 138.091599 29 138.572235 22 139.735245 40 142.352158 28 142.865707 24 143.035995 1350 143.252731 21 144.036301 68 146.372314 20 149.044556 198 152.052765 18 160.036667 27 161.013367 17 161.045288 10404.022461 161.121185 20 161.457352 33 161.487762 17 162.047668 730 162.307327 17 163.046005 38 163.443756 21 164.052078 22 165.022842 17 167.032486 17 167.102127 18 168.073517 22 172.956009 20 175.028778 40 179.055328 4069.377197 180.058777 273 181.058594 39 183.026764 20 192.461334 17 209.065674 38 217.751968 22 221.066757 2697.568359 222.070602 272 223.077896 29 246.09964 33 251.075012 18 261.875092 20 262.46167 28 263.077179 917 263.702423 18 264.080109 70 271.053284 31 275.066681 32 279.957001 18 281.027924 24 281.088776 1241 282.091858 161 283.093842 43 287.077148 20 288.012268 21 303.031281 19 303.973938 27 305.009888 20 305.100494 18 306.085938 27 322.074615 30 323.065582 24 323.09494 63 329.087524 29 341.105103 1925.529785 342.044189 24 342.109589 394 342.495941 20 343.116211 119 368.78302 20 370.664825 17 371.104187 19 383.119171 4517 383.25882 20 384.123779 631 385.121552 188 386.399567 20 387.15097 21 387.38327 18 398.547699 18 399.987885 20 409.850403 18 413.979492 23 419.429382 20 424.40213 43 425.07196 20 425.128754 1355 425.898071 18 426.1362 191 427.136963 37 433.852051 17 437.032959 17 443.140259 363 444.147766 91.000008 445.14035 18 469.122559 17 502.972534 17 503.162384 443 504.160706 215 505.170929 97 506.161255 19 506.444672 19 511.221497 18 549.163879 43 550.179382 17 551.100891 18 563.30426 22 591.171875 43 609.170715 17 615.955688 18 759.678101 20 766.756348 26 1012.644104 18 END IONS BEGIN IONS FEATURE_ID=362 FEATURELIST_FEATURE_ID=Aligned feature list peak:362 MSLEVEL=2 RTINSECONDS=412.97 PEPMASS=566.15672 CHARGE=-1 FEATURE_MS1_HEIGHT=3.67E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8:2468"] SCANS=362 Num peaks=248 50.20406 20 51.824173 30 51.960426 22 52.073586 27 53.498158 33 54.462139 21 55.685684 20 56.138199 17 57.653839 51 58.638409 28 60.72596 21 61.987907 5399.305176 62.292622 20 62.454891 19 62.788155 18 62.882469 18 62.986885 49 63.539402 17 63.56797 23 63.992764 18 64.107117 23 64.277023 24 65.804344 17 66.473389 18 67.384743 19 67.744919 20 67.777115 18 68.300629 24 70.395248 18 70.915436 26 71.31794 19 71.855972 18 72.951256 26 73.272141 18 74.236549 18 75.414375 18 76.293694 21 76.424011 20 76.4506 18 77.934212 46 78.699211 18 79.341705 22 82.888924 22 83.18512 29 83.770638 22 87.420021 18 88.249191 19 90.026283 20 91.064812 52 93.049202 18 93.337929 21 93.971733 17 97.030617 19 99.544083 18 101.00943 21 101.02404 96 101.055069 30 102.023422 40 102.510834 21 102.729492 17 103.074852 30 105.121658 20 105.630791 18 106.694733 27 107.692329 18 108.389511 18 109.162231 18 109.980453 18 110.063354 21 110.939568 18 111.578804 20 112.246346 23 112.980057 18 113.023041 48 113.157875 22 114.164597 18 115.036827 18 118.995117 30 119.033157 71 125.021568 17 125.950226 18 126.24836 25 126.505692 20 126.956924 73 128.667175 18 129.867981 22 132.247177 19 132.419952 20 133.117523 18 140.607376 21 143.027847 39.927528 143.040604 24.072472 144.032196 24 147.224838 21 148.988876 21 149.046051 29 149.571899 18 149.600723 19 149.931442 17 150.102097 22 153.081284 20 153.348907 26 157.976761 17 159.128708 33 159.198914 24 159.769684 38 160.043289 18 161.045349 237 161.196243 19 161.574966 20 162.054062 45 167.093567 20 170.653809 20 174.408661 20 175.686417 17 178.963287 17 179.059265 187 181.075363 30 181.193069 17 181.408752 18 191.022156 62 191.867996 23 195.782761 56 197.202759 23 198.756195 18 202.355545 26 203.088943 22 204.795502 19 206.419891 17 206.794479 19 208.407501 33 212.68251 20 214.954758 20 216.305481 25 219.858292 17 221.065735 94 222.073364 69 230.038361 24 231.941956 22 246.791779 20 248.070145 20 250.189972 29 251.780121 19 253.516907 18 257.570343 26 258.253296 20 260.774017 19 263.087006 22 264.427155 20 268.599304 22 270.746826 21 273.71933 18 275.893036 25 281.087067 84 281.251556 18 285.300629 20 295.372742 18 305.029388 18 309.125763 48 316.909729 20 324.998413 17 326.115936 21 326.587311 29 329.801331 17 341.084076 29 341.106445 27 342.117859 23 349.058044 32 354.699219 24 361.372467 23 368.722107 23 372.092743 20 383.123505 169 425.126587 18 426.12439 22 427.12851 18 431.143219 17 442.799835 22 461.21933 24 477.102661 40 494.047516 18 503.152679 60 504.166443 20 505.068817 19 522.997375 18 526.051514 18 528.150513 17 539.167175 22 540.133606 23 549.159058 20 564.023376 29 565.147766 18 566.157593 5298 566.370544 20 567.162659 1732.084961 567.313232 26 568.166382 134 569.167053 36 571.460693 24 573.15332 22 574.262634 18 577.499084 18 586.089172 20 610.199219 18 611.21991 22 629.19397 19 656.972107 18 673.214966 48.557793 683.225464 18 685.200928 19 705.703857 20 743.228638 23 783.291992 18 795.19043 18 807.253174 17 843.378113 24 849.16864 18 849.262146 18 933.109253 21 942.552673 22 980.188232 26 1007.337708 65 1007.507996 20 1008.3396 65 1009.34729 37 1035.355591 18 1046.302002 20 1048.130615 18 1066.279907 18 1070.305542 18 1073.295532 18 1075.319458 22 1089.081421 18 1122.196533 18 1124.203735 18 1131.246338 18 1132.774292 22 1140.778198 51 1151.349121 20 1153.735596 36 1156.329102 20 1165.318237 20 1168.532471 18 1177.372803 22 1181.86499 18 1182.93335 20 1190.789307 20 1193.800415 18 END IONS BEGIN IONS FEATURE_ID=363 FEATURELIST_FEATURE_ID=Aligned feature list peak:363 MSLEVEL=2 RTINSECONDS=413.06 PEPMASS=503.16102 FEATURE_MS1_HEIGHT=7.786E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8:2267"] SCANS=363 Num peaks=269 50.455795 18 50.480228 37 50.531742 20 51.484287 20 52.165577 26 52.219536 24 52.346745 18 53.175869 29 53.923801 22 54.694305 36 54.757675 20 55.899689 18 56.682831 17 58.620907 27 58.791206 19 59.011818 37 59.017826 24 61.986115 20 63.351532 19 66.908936 21 67.693649 30 68.188431 18 69.596848 20 70.035118 24 71.013824 116 71.973816 23 72.423866 22 72.492813 18 72.891304 18 73.030228 90 73.216309 18 74.635979 26 74.786362 18 77.819298 26 79.160461 19 79.547203 20 80.235001 27 80.909851 20 82.27681 20 82.38903 26 82.427414 18 82.782532 20 83.00856 21 83.701141 22 84.203003 34 84.272247 18 84.675919 18 85.031494 39 86.049332 18 86.852776 21 87.001205 19 87.441345 21 88.390106 18 89.00351 18 89.024773 221.772705 89.704201 36 90.573219 25 91.350281 20 94.585106 18 95.015099 17 95.29731 23 95.353554 18 95.883667 18 96.085396 28 97.029266 82 97.728432 26 99.009598 76 99.044823 26 99.821671 20 99.844803 32 100.7192 18 101.02243 316 101.328568 23 102.139359 18 102.526451 27 102.832924 27 103.937492 18 104.068161 20 104.267105 30 104.701324 19 104.94239 26 105.287071 18 105.985374 20 106.526138 20 111.41552 22 111.7808 18 112.339317 19 112.41748 37 112.52803 18 113.02903 47 113.174324 22 114.014091 18 114.026054 20 114.496605 40 115.031952 18 116.037956 20 116.927597 18 117.826797 25 119.033844 127 119.227417 18 119.428619 30 123.168053 18 123.374931 22 125.027512 56 127.744064 23 128.541016 20 131.033524 24 132.455963 18 133.689026 26 134.05513 23 134.091492 41 135.555252 19 140.158737 21 143.037598 141 144.037109 21 146.903244 20 146.962372 19 149.048782 29 150.942032 30 161.045929 418 162.172195 25 162.980148 17 163.045685 27 164.37291 18 165.02243 18 165.639206 18 166.273285 17 173.949448 26 176.597046 23 178.756943 18 179.056854 316.539917 179.514023 24 180.054749 20 189.655518 18 191.187622 26 191.836227 23 203.586243 24 207.68988 19 209.059998 18 210.110504 20 210.42395 19 214.516388 62 214.84642 18 217.068817 26 219.260269 18 220.958893 41 221.007294 24 221.064362 289 221.599869 25 222.072021 36 223.458237 20 223.800583 17 229.201859 22 231.647812 19 231.775375 17 231.904358 17 234.03743 21 238.971329 28 242.335434 18 244.608887 18 245.069595 33 245.742493 63 247.633774 19 251.475494 20 257.107697 38 258.962494 22 259.244507 18 263.077393 58 264.076172 23 265.075409 18 265.481354 18 281.070465 86.297798 286.051575 18 287.130402 27 290.139771 25 293.001923 26 302.468811 18 308.041168 18 312.034576 18 320.142609 22 322.042786 20 322.366028 18 324.426483 20 325.098297 21 327.972595 18 337.077332 17 340.31012 28 341.105011 57 349.759338 28 352.766693 19 355.627045 18 357.088623 20 372.027252 27 374.251007 42 381.568726 21 383.116852 225 384.129608 59 389.986908 18 391.00235 18 391.671173 18 392.00061 17 405.974304 18 410.114838 18 426.189209 18 459.329254 28 485.510712 17 501.85376 20 503.142639 18 504.164307 17 530.548889 18 534.037903 19 539.127563 27 540.154053 42 562.124756 19 565.047852 18 566.157837 159 567.159729 23 578.068298 25.999998 591.208191 28 601.113281 19 622.153931 18 637.290222 23 644.121521 18 650.239929 50 669.56427 18 671.231079 31 681.076416 17 687.19104 18 736.950256 18 752.407227 18 771.082336 27 823.95636 20 839.095581 19 839.17334 18 849.149902 26 889.315063 23 909.263 50 929.2948 23 947.281433 19 966.07605 19 1007.325745 22 1008.324402 98 1009.310364 28 1010.322388 25 1025.210571 20 1028.042969 18 1029.331299 18 1060.232056 23 1062.244995 18 1065.328369 22 1071.35022 19 1073.273071 19 1074.513916 18 1082.219238 30 1089.241821 24 1096.327759 18 1105.719482 18 1110.484375 22 1122.396851 20 1139.086182 20 1170.827515 18 1175.332397 24 1176.391724 17 1176.628052 18 1183.765137 18 1185.192749 18 1189.881226 26 1190.404541 21 1192.65332 17 END IONS BEGIN IONS FEATURE_ID=364 FEATURELIST_FEATURE_ID=Aligned feature list peak:364 MSLEVEL=2 RTINSECONDS=413.11 PEPMASS=669.20887 FEATURE_MS1_HEIGHT=5.616E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:2698"] SCANS=364 Num peaks=236 50.410145 17 50.537792 17 51.558853 17 52.884827 26 55.531246 18 57.033028 20 58.15258 20 58.499573 17 58.873737 21 59.082623 23 62.455162 18 63.872871 18 66.636269 20 67.408089 18 68.427208 24 73.639343 20 74.471436 26 74.499817 18 75.007431 69 75.226128 36 79.089485 23 79.632645 26 84.832848 48 85.027641 27 85.043633 20 85.384422 18 87.930779 18 88.832405 17 89.434044 21 90.405777 17 90.535591 32 94.354408 18 95.361481 22 96.962723 22 99.010094 37 100.607529 53 100.889084 31 101.020256 20 102.02626 18 102.077332 17 102.186363 18 102.280106 17 103.021797 20 103.679314 18 105.027977 25 105.98053 23 108.876328 21 109.207779 17 110.727997 18 111.000175 23 111.144051 20 112.008865 18 114.326088 18 115.408012 20 118.516312 30 119.522858 20 119.667183 22 120.927979 20 122.09481 19 122.169571 39 122.769897 24 126.186378 18 127.511475 24 129.020432 27 129.481003 24 130.041122 18 131.223267 24 136.924576 18 143.96788 38 145.050095 18 146.561249 24 147.028107 96 147.924911 22 149.104507 22 150.71788 27 153.595932 48 155.511475 18 155.550323 18 161.046204 25 162.043762 28 162.69046 18 162.98381 61 163.021179 98 163.196106 20 165.039902 7629.967285 165.631302 22 166.045822 248 166.08522 22 166.137115 26 166.152725 18 166.985657 19 167.002991 36.559731 167.045334 147 167.874832 17 168.026733 18 170.671616 22 172.575668 18 173.730179 22 174.972824 17 180.528732 18 188.323837 20 189.880722 23 190.824661 18 190.991943 18 191.017319 48 191.501801 20 199.654938 24 202.04155 19 205.049988 25 205.574432 19 211.014496 18 211.460861 18 221.722809 18 223.048126 17 224.976807 17 234.822983 18 238.407471 65 239.056717 17 244.053894 22 245.976074 19 247.281815 42 249.026749 21 250.025116 20 253.074448 23 255.483307 18 260.395691 18 265.077972 19 265.268555 23 270.058624 22 274.525665 28 293.017181 18 302.150543 18 320.841339 22 321.120392 43 325.405212 19 335.019043 27 337.073822 18 338.611084 26 338.764374 26 339.094727 20 352.693695 21 355.557678 21 369.753662 30 384.122498 37 394.031769 18 400.999542 18 402.994049 18 417.97702 18 423.498993 18 425.045563 20 432.747498 34 433.553802 26 434.997681 18.000002 437.034851 146 438.032532 24 439.034241 74 443.139648 17 451.092194 41 468.109955 18 476.016937 17 479.588501 19 483.050842 40 485.393402 19 487.530731 21 494.269318 17 496.051727 18 496.979797 19 497.06723 37 503.070374 18 503.183197 19 505.033508 92 506.02948 93 513.894226 32 518.958374 17 528.129089 18 533.131042 18 536.14801 21 539.142212 48 540.515442 20 552.152832 56 553.130676 22 557.077148 71 558.076904 57 564.04364 20 565.089905 21 566.178589 57 568.167725 17 589.278442 18 600.179565 30 624.047974 17 634.566101 27 637.18457 17 651.164062 20 653.195496 18 669.222168 94 670.221375 86 671.186096 18 672.196228 19 678.782043 20 689.244507 18 695.119263 20 695.179382 23 714.917664 20 771.112 45 776.923584 17 787.18866 20 842.291992 28 845.268555 17 850.225098 20 884.923706 18 888.28894 21 926.005859 41 948.217712 18 995.424744 18 1007.336426 18 1022.907349 18 1030.143311 18 1031.184204 18 1032.323242 21 1044.33252 62 1061.213501 18 1070.069702 35 1084.330566 19 1088.231567 20 1094.220581 26 1109.30957 20 1110.296387 18 1113.134888 27 1134.983521 17 1137.241455 26 1140.044922 17 1148.231812 18 1174.235229 19 1174.672852 18 1178.313843 17 1189.820435 17 END IONS BEGIN IONS FEATURE_ID=365 FEATURELIST_FEATURE_ID=Aligned feature list peak:365 MSLEVEL=2 RTINSECONDS=413.86 PEPMASS=337.07702 CHARGE=-1 FEATURE_MS1_HEIGHT=1.801E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8:2401"] SCANS=365 Num peaks=246 55.432728 26 55.658817 26 56.944561 18 57.589787 27 59.011448 19 60.707455 18 61.621502 20 61.988476 31 63.384926 20 64.001259 18 68.997643 35 69.034653 45 69.633736 19 70.470078 20 71.016701 93 71.271645 20 71.320915 20 72.045074 27 72.990959 34 73.030678 37 75.004433 51 76.009796 20 76.757416 17 78.94368 25 80.159973 18 83.014717 43 83.494682 18 83.739235 49 83.861839 20 84.74604 17 85.026794 122 85.39283 18 86.984612 18 87.010345 25 87.044464 35 88.205933 17 89.022957 52 89.713287 17 91.563629 24 91.728607 63 91.872658 33 94.114616 45 94.160042 20 94.687286 18 94.734856 20 95.0131 38 95.062935 31 96.090057 18 97.031799 21 99.008713 331 99.784454 26 100.048897 20 101.02552 98 101.488655 18 102.033958 55 102.791351 22 102.9533 26 109.158188 25 111.01001 105 111.041565 18 112.00898 18 112.984856 17 113.024117 283 113.99556 1208 114.025444 18 115.004913 602 116.165878 18 120.001877 17 121.920258 18 123.041794 26 123.582008 18 124.434753 19 124.613281 18 124.945343 21 125.024185 17 125.723991 20 125.882614 20 126.841736 22 127.002808 147 127.033035 16.896875 127.044075 22.103125 128.010132 38 129.016846 117 129.306747 18 130.200089 30 131.041565 56 134.116043 22 136.209076 18 139.00499 102 139.192673 18 139.447128 17 141.015976 69 141.660187 38 143.272446 19 144.124191 21 144.1716 18 144.374725 17 145.684921 20 146.044861 53 146.94014 37 147.712006 18 150.391769 17 151.002411 60 153.765564 24 155.792404 27 156.006012 44 156.869278 20 156.893127 25 157.014557 611 158.018539 98 160.846985 19 160.891418 36 161.040512 20 162.196472 22 162.932114 20 165.064972 24 165.341324 20 165.680847 25 165.716583 34 167.032166 44 169.015289 155 172.967972 38 173.042984 40 173.296982 20 173.349838 43 173.962616 17 174.017609 2335.257568 175.022385 573 176.02951 53 178.497925 18 179.867172 17 182.050446 62 183.49614 18 183.988495 24 185.016663 18 185.307877 46 186.691574 45 188.137131 19 190.163895 18 190.689484 18 191.74617 19 195.028763 18 195.475098 45 196.106888 18 196.278595 19 196.924438 22 201.043716 46 203.983353 18 207.390945 24 213.99057 18 219.049194 39 220.861069 18 222.182007 22 222.481628 20 225.133545 26 225.780426 20 230.982269 24 233.072876 32 233.852997 25 236.181488 18 239.093277 56 239.242645 18 241.92897 20 243.889343 18 245.889008 22 246.007065 20 246.90033 18 252.851181 19 256.861267 18 264.731934 19 271.799164 23 276.791779 21 277.056641 2809.252686 277.093536 18 277.714081 25 278.05777 354 279.061096 109 279.098236 22 281.863678 17 289.37439 18 291.014008 52.043194 293.971283 17 299.762543 21 300.847321 38 306.331665 21 314.03714 20 315.372284 18 319.062897 56 320.057343 20 332.060333 19 336.858551 18 336.997864 17 337.077484 8568 338.078522 1127 338.197601 24 338.550629 19 339.084167 329 339.198151 117 339.414154 18 340.086761 34 340.201813 38 353.781586 18 377.077454 36 379.086182 17 397.185974 19 404.096375 20 405.062805 17 405.099518 19 409.503387 22 414.973663 20 424.08017 18 425.327026 35 433.011414 19 451.114197 59 453.501343 22 453.546478 18 463.003601 22 480.068542 18 480.918915 22 539.138 49 542.181824 18 543.171265 27 660.960938 18 761.051392 18 762.685059 26 771.57428 18 816.124329 26 911.431519 24 930.529846 31 972.66748 34 975.012817 22 992.164368 30 995.85614 18 1005.37616 20 1051.894165 20 1060.62439 42 1067.197754 25 1076.328003 18 1079.251099 17 1087.058716 26 1116.301025 20 1135.042358 34 1146.119629 18 1151.610352 17 1157.175537 22 1189.967651 22 END IONS BEGIN IONS FEATURE_ID=366 FEATURELIST_FEATURE_ID=Aligned feature list peak:366 MSLEVEL=2 RTINSECONDS=418.01 PEPMASS=566.15656 CHARGE=-1 FEATURE_MS1_HEIGHT=1.289E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8:2310"] SCANS=366 Num peaks=174 50.175674 24 51.955456 32 53.12458 24 53.553959 18 56.065338 22 56.246479 23 56.903152 20 57.475094 19 58.051464 21 59.553093 18 60.329876 18 60.846386 28 61.121609 24 61.987541 1917 62.984032 36 63.991924 73 65.810532 18 65.910805 20 66.069832 24 66.414001 25 67.607834 20 72.512276 17 74.081024 18 75.518898 18 78.064232 53 78.959106 18 78.983467 18 83.379379 18 86.057869 19 86.854546 20 87.171783 20 87.188461 19 90.724289 19 90.907166 22 93.020256 26 94.344864 21 95.950989 39 97.568985 18 98.172432 18 101.023354 20 104.473541 28 109.884087 22 114.486946 17 115.00853 18 115.026115 26 115.775139 26 116.556717 24 117.146744 18 119.032776 17 119.952568 21 120.455055 19 120.72094 17 122.525146 21 123.088562 19 126.499535 20 126.763992 18 128.588547 20 130.389496 18 130.90361 18 131.039581 17 132.374908 20 133.184113 21 138.170654 17 139.881973 18 142.013931 30 146.964447 37 148.402679 20 151.136902 35 156.402267 18 159.133667 42 161.045425 76 162.047531 24 162.882294 27 165.015549 18 165.740723 18 169.472504 20 175.590424 18 179.047806 17 179.060226 44.920803 180.059143 20 181.430862 19 187.126068 28 193.032288 22 200.157318 18 206.631729 22 215.533707 18 218.737671 19 220.608261 22 221.06636 212 222.079056 34 225.008286 21 227.271439 18 247.029694 24 247.081299 19 249.460724 36 250.34024 19 259.657562 18 263.006866 34 263.071808 84 267.068176 21 272.639557 27 273.194885 20 277.085693 22 281.089691 136 283.528473 17 289.044159 17 294.043549 24 297.063568 18 310.632202 21 311.72995 18 314.918976 18 317.907471 18 326.990295 20 336.970612 20 341.111633 22 347.709534 18 353.533844 18 374.948059 20 380.508545 17 383.132874 18 387.206299 20 425.142395 20 425.795319 18 426.123718 18 427.152618 26.999998 433.817596 18 443.279083 24 452.421051 17 457.815613 18 459.8367 18 462.582947 18 472.268494 20 473.360687 18 483.244537 18 503.160034 74 504.16806 20 539.146423 88 540.141785 20 566.157288 1551 566.440186 22 567.160645 407.381104 567.86554 18 568.169067 162 588.202881 20 601.14563 28 639.946106 18 789.44574 24 831.973755 17 844.059448 17 854.984375 18 879.115234 20 941.573242 18 989.035034 17 1009.954407 20 1015.280518 17 1019.013428 20 1036.284424 19 1044.596069 18 1050.197998 22 1057.23938 18 1068.04834 20 1073.581055 18 1087.705933 24 1097.921753 17 1108.506226 18 1109.096802 21.999998 1112.050293 18 1134.82959 17 1135.575562 18 1155.022705 33 1165.342041 18 1188.106323 25 1197.718506 26 1197.89209 18 END IONS BEGIN IONS FEATURE_ID=367 FEATURELIST_FEATURE_ID=Aligned feature list peak:367 MSLEVEL=2 RTINSECONDS=420.45 PEPMASS=267.0713 CHARGE=-1 FEATURE_MS1_HEIGHT=2.236E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:2750"] SCANS=367 Num peaks=312 50.875759 19 51.334267 18 51.776142 19 52.004959 18 52.312168 24 53.188179 18 53.74102 18 53.883656 18 54.345261 18 55.038692 22 56.625935 20 57.032825 60 57.716114 32 57.78817 28 58.440304 23 58.638031 25 59.012882 535 60.016426 18 60.288242 24 60.414722 18 60.522079 18 60.750195 23 62.001686 18 62.405056 17 63.121696 24 65.475983 20 65.672752 19 67.202805 26 67.691177 26 68.288994 18 68.933311 17 68.996155 22 69.033455 18 69.153671 20 69.880722 21 70.154999 23 70.742569 33 71.013 989 71.994759 20 72.021202 65 72.329826 20 73.027649 157 73.509468 18 75.008148 520 75.974266 20 77.459007 19 79.474197 22 79.590179 17 79.8508 17 80.815689 18 81.518288 18 81.644691 17 83.011917 42 83.16423 18 83.303871 23 84.020233 82 84.353081 22 85.028992 1144.346802 86.024147 22.416786 86.035713 73.583214 86.17347 18 87.007263 856 87.03511 18 87.579468 17 88.011703 17 89.023766 850.140381 90.025101 76 91.038536 101 91.530472 22 92.967659 17 93.163559 18 95.012764 272 96.023476 35 97.427452 20 98.509628 26 99.007477 463 99.143311 28 99.277733 18 100.011391 44 101.022942 59 101.210793 47 101.430626 17 102.370811 18 102.527596 20 103.003471 93 103.937553 18 104.001549 43 104.885315 19 105.194855 25 106.322075 18 107.447472 20 107.794403 18 110.006966 24 111.005135 34 111.044182 18 111.523468 19 112.017113 87 113.023674 3246.470459 113.277435 26 113.988541 18 114.025421 192 114.094017 26 115.002296 80 115.028336 18 116.004051 23 116.847717 18 117.018478 213.648285 118.432358 18 119.01445 18 120.652504 18 122.072762 18 122.118332 23 125.375252 27 127.003151 18 127.822433 21 128.609879 19 129.018265 176 130.024994 39 130.057312 18 131.033737 79 131.075775 26 131.795364 18 132.564804 20 133.015717 20 133.054489 22 135.031708 19 136.310745 28 139.101395 27 139.670349 18 142.899841 26 145.003601 31 145.66423 21 146.01973 45 146.811508 20 147.032959 40 147.182068 18 148.05542 18 149.046097 94 151.059845 18 154.933701 20 157.010757 122 160.207199 20 160.46553 24 160.553192 34 160.999786 23 161.014526 18 161.504974 30 163.96402 18 164.002548 19 165.046371 18 166.050583 54 166.405075 21 169.598984 17 173.590607 24 173.613541 18 174.616852 18 175.025452 215 175.977859 18 176.02478 62 176.421753 20 177.126465 17 177.98616 20 178.285263 31 178.341537 20 178.718094 27 178.97731 21 180.950012 100 183.042999 22 184.148285 35 190.383438 38 191.055664 98 191.345718 22 192.969498 20 194.038406 42 195.452866 18 196.225098 17 197.854843 18 198.04834 23 199.095795 17 201.327698 17 203.059998 38 204.911224 24 205.061615 58 205.154053 18 206.073135 18 207.050766 385 208.048935 18 209.093307 21 210.051437 28 211.03215 17 212.047318 21 214.016464 20 217.202408 18 218.832718 23 218.884109 18 219.839554 18 219.860382 36 220.968979 20 221.837753 22 222.252686 20 222.86438 42 223.08107 18 227.78096 25 229.820862 18 230.659775 18 230.775955 18 234.034561 22 236.459122 18 238.861969 38 239.107468 18 239.334534 26 242.259995 20 242.88208 22 245.046158 18 247.422729 18 249.061264 585 249.371323 36 250.063644 20 251.139496 18 254.821289 23 258.876343 54 265.428436 18 266.058746 21 267.071198 4481.676758 267.141937 63 268.014557 24 268.076019 653 268.994995 17 269.070099 108 269.11911 18 269.251129 18 276.587402 18 277.904633 18 280.050415 18 280.769684 20 281.172943 29 283.371552 18 290.944763 34 291.026184 20 296.929932 22 297.815155 18 299.156494 17 301.487 17 307.329224 22 318.664612 18 320.989868 18 332.893738 18 333.082123 17 335.057495 32 340.19455 19 350.967346 18 351.612091 18 352.051849 36 352.9104 18 355.939209 18 358.961304 18 359.3396 18 367.633362 41 396.860779 25 409.487549 18 414.589294 20 424.547302 20 433.123596 18 438.991577 19 440.231873 20 460.984589 22 462.227722 20 463.05661 22 481.078461 21 488.587982 18 491.377899 17 520.001526 17 559.142883 22 566.167847 18 592.141907 18 609.191345 40 610.170166 29 621.197205 20 627.025391 26 673.158142 45 676.724731 20 710.077759 18 727.091309 22 734.155701 23 736.322144 18 809.037659 20 842.352966 23 844.945679 18 942.156433 18 984.17572 22 988.769409 19 999.892456 24 1022.04071 36 1034.178101 25 1059.056152 18 1063.619995 17 1077.338501 19 1079.163452 17 1087.598022 24 1094.179688 24 1104.886963 20 1107.220215 18 1115.204102 18 1122.043457 25.999998 1137.986084 18 1148.573975 18 1155.613647 18 1165.181274 20 1166.098511 20 1167.224243 56 1168.169067 18 1199.704346 29 END IONS BEGIN IONS FEATURE_ID=368 FEATURELIST_FEATURE_ID=Aligned feature list peak:368 MSLEVEL=2 RTINSECONDS=421.21 PEPMASS=243.01759 FEATURE_MS1_HEIGHT=6.107E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8:2176"] SCANS=368 Num peaks=186 50.01989 18 50.350983 18 51.022148 34 52.658127 20 55.281078 18 56.25909 21 56.543907 24 57.62495 21 58.697815 18 60.002384 18 60.21014 20 62.755157 20 64.056847 17 65.000984 19 65.905647 22 66.147186 17 66.917145 17 67.569908 19 67.972687 22 68.641273 21 68.680862 18 69.177689 20 70.310974 17 71.015793 54 78.324913 20 79.799934 18 79.956123 332 80.964592 1226 81.349495 17 81.476311 17 81.793274 20 82.515106 22 82.748367 18 82.960472 21 82.968712 20 83.336296 17 83.476273 24 83.725456 17 85.348892 24 85.970421 18 85.983543 24 87.010155 22 87.282967 19 88.985725 17 89.021423 95 89.551033 22 91.127968 21 94.292809 17 95.014915 54 97.028969 20 101.027458 134 101.275574 20 101.901344 20 106.393814 27 107.301842 18 113.025101 136 113.721146 18 114.028259 44 115.025543 21 121.166367 29 127.954224 18 131.293137 39 131.932755 19 132.667496 22 136.936005 25 139.425446 18 143.034836 21 144.119949 18 145.56926 18 145.89093 21 146.96582 38 147.1129 17 148.189575 21 150.994003 23 151.163315 22 152.695709 18 155.706558 24 157.910995 20 161.048477 54 161.281479 63 163.977615 25 164.196487 17 165.504837 18 167.968994 18 168.768723 22 169.067581 25 176.166412 18 179.059677 18 179.520569 21 180.13295 17 180.698395 54 181.123199 18 190.45929 17 195.831482 27 203.044785 21 206.061478 33 209.08403 17 210.418579 18 214.968033 19 215.272385 19 219.976547 25 221.305176 18 221.587936 18 227.965988 20 242.076736 21 243.017822 2979.277832 244.022873 257 244.077118 18 245.018784 327 245.962326 27 247.693253 18 248.930679 18 250.90509 21 260.231171 22 265.150635 18 267.349854 22 281.086456 21 285.361115 24 306.779999 24 309.588959 20 311.464905 21 333.366821 25 336.924561 18 337.07373 33 339.148438 18 339.38678 20 341.293793 19 343.898682 36 346.286896 20 348.435303 18 359.510834 18 361.162994 17 362.180359 21 368.124084 22 429.93985 18 436.516663 27 449.204895 20 462.987579 18 469.573486 20 470.951935 20 474.059418 18 478.075104 18 494.274445 18 503.1698 22 504.082672 18 509.070862 23 519.130371 18 556.828003 33 565.905457 17 566.147095 40 568.933594 17 580.304077 18 584.816223 20 587.516479 18 644.386475 22 657.204956 21 662.766846 21 719.690002 18 719.889954 21 798.082703 20 813.285645 25 815.189636 22 827.471313 18 859.128418 20 870.99646 20 922.614868 23 951.255676 18 978.458923 17 984.039307 24 1010.991943 53 1022.409302 17 1023.246826 20 1023.663574 20 1062.200806 18 1074.846191 17 1077.87793 36 1083.110718 21 1088.274658 17 1095.00061 18 1099.881592 20 1141.796631 17 1164.181885 18 1168.218506 18 1170.231567 21 1189.568115 25 1190.269043 20 END IONS BEGIN IONS FEATURE_ID=369 FEATURELIST_FEATURE_ID=Aligned feature list peak:369 MSLEVEL=2 RTINSECONDS=423.20 PEPMASS=539.13778 CHARGE=-1 FEATURE_MS1_HEIGHT=6.04E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8:2343"] SCANS=369 Num peaks=110 59.013027 83 59.725468 17 63.914787 20 66.29715 23 71.012756 69 73.02581 65 77.381966 20 78.870834 22 79.02253 17 81.862656 18 83.525826 23 85.022881 18 87.006454 60 88.525879 20 89.024582 246 92.823257 22 97.029678 54 99.007111 27 101.023651 293 101.795975 22 102.000237 22 102.026611 63 102.378548 21 113.021469 37 115.038361 43 119.03791 164 123.683685 18 125.028862 33 128.996429 17 129.941132 19 131.031189 36 136.635391 24 143.036148 284 149.040741 26 150.362625 19 155.826996 24 161.04483 881 161.116135 17 161.667236 29 162.045456 37 166.165344 26 167.035568 18 179.056229 1039 180.05127 68 180.65538 18 188.660919 31.999998 189.95932 33 191.397507 19 198.055679 21 199.110733 19 201.98439 18 219.010498 20 221.065735 341 222.627777 23 226.594528 19 237.088638 18 238.363846 20 243.894272 18 247.834885 23 251.076981 44 252.056 20 254.062424 19 257.568024 18 263.080353 41 268.481354 17 281.028503 23 281.082947 178 291.668518 18 307.720428 20 311.10672 20 321.066223 22 323.0979 91 341.110992 352 342.119141 58 344.111328 29 346.265625 27 367.600006 24 377.671844 23 382.517487 19 383.118317 919 383.826996 19 384.117279 211 384.509399 29 404.964447 27 424.981781 18 425.128693 164.599548 426.133881 25 428.977081 18 431.851013 17 442.426178 18 443.141266 121 445.997742 26 463.169922 25 491.517853 26.999998 502.639435 18 502.838104 19 503.159882 960 504.164276 122 504.551361 17 539.137207 1751 540.140808 256 540.227783 18 541.137024 713.132019 542.139648 139 544.04541 18 550.275513 19 576.541687 18 678.912598 23 684.213806 17 1040.376587 18 END IONS BEGIN IONS FEATURE_ID=370 FEATURELIST_FEATURE_ID=Aligned feature list peak:370 MSLEVEL=2 RTINSECONDS=423.32 PEPMASS=1007.33074 CHARGE=-1 FEATURE_MS1_HEIGHT=1.152E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8:2272"] SCANS=370 Num peaks=86 58.966499 17 71.014969 44 97.028526 18 101.025681 87 113.023277 25 114.030502 24 114.939972 29 119.026794 30 120.042114 25 131.044235 25 143.035263 109 143.704086 24 161.045029 756 162.042114 51 162.123291 17 173.041458 17 179.055038 869 179.443512 19 180.058609 104 208.692551 20 217.699799 18 221.064743 121 251.077255 91 252.079483 23 263.075287 74 268.005066 18 268.294708 18 268.348206 24 268.593781 27 281.088409 179 282.089539 37 306.085388 21 317.182098 34 323.095612 77 324.101501 20 330.712219 20 341.032776 17 341.108215 766 342.111389 78 342.292023 26 346.553253 28 365.535522 18 376.100433 24 377.091156 41 383.118805 317 384.123688 19 385.356354 18 400.523254 20 410.310638 18 425.127869 396 426.124634 27 427.133972 44 430.195099 22 443.132965 35 443.229645 19 444.145721 18 479.80484 17 482.339752 18 485.158356 42 495.657013 17 502.081299 17 502.243988 20 503.040466 37 503.158905 1575.999268 503.221893 18 504.163025 276 505.167053 47 593.541565 34 661.419983 20 665.213501 55 666.210327 27 785.265808 20 787.624146 18 789.037415 40 819.501343 19 845.05896 20 845.273438 184 846.293701 35 887.282898 34 929.299438 38 947.32312 18 953.074585 18 989.309204 18 1007.32251 199 1008.34491 79 1009.337463 62 END IONS BEGIN IONS FEATURE_ID=371 FEATURELIST_FEATURE_ID=Aligned feature list peak:371 MSLEVEL=2 RTINSECONDS=423.36 PEPMASS=549.16666 CHARGE=-1 FEATURE_MS1_HEIGHT=3.239E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8:2250"] SCANS=371 Num peaks=321 51.894466 28 51.975155 18 53.034077 22 53.914963 28 54.332409 18 54.427799 18 54.493908 21 55.01762 38 55.564175 18 57.613224 24 57.675793 42 58.005375 29 59.013302 740 59.144733 20 60.016884 19 63.129669 18 65.05323 18 65.153763 20 67.947929 32 68.998375 25 69.126335 17 69.332291 18 69.75576 18 71.013405 1105 71.047951 52 71.310043 19 71.39872 18 72.016541 18 72.569672 17 73.029106 590 74.019165 20 74.028473 42 74.41964 17 74.466614 18 74.550209 17 75.007248 19 77.714981 23 78.785118 38 79.003464 23 79.016754 22 80.802483 18 81.03582 141 83.013016 156.765839 84.651024 20 85.028404 57 85.817871 18 85.998863 17 87.006599 202 87.023468 23 87.043655 39 87.09449 20 88.771515 18 89.023689 3297 89.183243 20 89.454933 24 89.770142 38 89.815384 18 89.88134 19 90.029587 101 90.98806 20 91.031082 28 91.200821 17 93.100502 30 94.14782 36 95.012413 115 95.04171 29 95.507423 26 95.924545 24 97.030235 764 97.836601 22 98.034851 24 98.699272 18 99.008881 18 99.045998 90 99.440849 19 99.955536 18 100.930519 22 101.024124 4669.381836 101.142303 18 101.346817 22 101.62709 18 102.027641 272 102.150337 24 103.027641 39 103.099075 43 103.31778 26 104.843796 24 105.837265 18 107.03627 52.944191 108.18618 18 109.096924 18 111.005478 18 111.442627 18 111.564644 24 113.024025 1204 113.410812 18 114.029678 106 115.039162 374 115.865608 18 115.894882 18 118.491867 17 119.034042 2688 119.68605 18 120.037674 198 120.336716 18 121.040947 39 121.580566 18 123.173378 18 125.023148 210.899292 126.032509 30 127.032257 18 127.377235 36 127.58506 22 131.034378 500 131.766418 18 132.037445 25 132.449417 18 132.661057 21 134.597473 23 136.348648 19 138.197845 28 139.032852 40 139.286484 17 141.000916 25 141.01889 33 141.139191 20 143.034897 2585 143.777344 18 144.039795 156 144.422516 22 145.035843 63.277294 145.050385 17.722708 148.6828 20 149.044556 431.919189 149.691025 27 150.052414 17 151.293747 18 152.042496 27 152.293091 18 152.99791 33 154.15506 17 155.258759 21 155.746658 19 158.021225 20 158.162018 18 159.027466 55 160.388443 19 160.848312 38 160.991089 22 161.045029 9292.144531 162.004898 24 162.048828 668.989075 162.785156 18 163.02771 36 163.047424 130 163.165375 27 164.058975 18 166.141068 25 167.036484 19 171.649597 19 173.038391 18 173.568848 18 177.03949 20 177.3022 22 178.900742 18 179.055313 9868.09668 179.391083 18 179.843109 20 179.946808 18 180.06041 592 180.1194 17 180.85379 21 181.059326 200 181.273727 17 182.059753 20 184.791397 22 184.812759 39 185.047684 87 185.331726 20 185.612427 33 185.671448 18 187.690582 23 189.142044 25 189.416336 17 193.83609 21 196.945374 18 197.035263 27 202.014755 23 202.772995 31 205.641876 17 205.960724 25 208.885284 17 213.520493 36 216.471512 27 219.393936 26 221.06543 3241.957764 221.110443 28 222.066742 254 223.074005 83 229.485596 18 230.065506 18 231.690536 37 233.059586 19 235.084305 19 236.557587 20 240.78981 18 246.003632 17 249.005325 20 249.040421 18 249.063965 22 251.014374 22 251.077866 101 252.07193 18 254.293442 19 255.087265 19 255.288574 31 259.018768 18 263.076752 839 263.208252 18 263.901672 18 264.079803 141 265.071106 18 265.278839 17 270.151794 18 270.171082 18 271.412079 18 281.087189 1084.298462 282.08725 120 283.089783 18 292.310394 18 293.084534 18 295.257568 18 299.935852 18 303.327576 18 304.69519 20 305.084167 63 306.089966 18 311.09967 42 319.774506 18 322.9646 17 323.097046 1726 324.067352 19 324.102081 117 325.10553 97 327.402832 20 330.221771 21 333.340149 21 341.107544 3281 342.11203 501 342.943665 18 343.109772 203 343.383698 17 353.680389 21 354.949615 26 367.153656 21 376.098969 37 376.120789 44 377.696198 28 381.124786 18 381.640167 18 383.119263 4211.751953 383.299347 18 384.124969 488.098145 385.13385 55 386.565094 18 386.955536 29 403.364288 18 411.761383 21 412.99118 27 425.13089 753 425.181366 18 425.887146 18 425.975433 20 426.129181 170 427.13504 46 428.11853 18 431.68457 17 443.139282 154 444.015686 34 444.149628 46 467.14621 22 502.138489 18 502.945404 18 503.1604 17757.246094 503.759064 18 504.163727 3461 504.4505 17 505.0737 18 505.166779 730 505.702179 38 506.173737 66 507.2836 19 508.872101 31 542.117798 18 549.164856 652 550.164734 179 551.152649 18 560.558167 17 566.184937 18 609.187073 29 620.083069 18 626.700012 22 636.2005 18 636.678223 19 652.531982 20 672.221558 21 676.467041 26 687.946594 18 846.885864 18 880.273376 122 881.238953 20 902.504395 22 1008.348572 37 1013.483215 20 1043.322998 18 1046.760132 20 1061.255981 26 1092.326904 18 1160.890869 20 1179.994019 26 1188.216309 18 END IONS BEGIN IONS FEATURE_ID=372 FEATURELIST_FEATURE_ID=Aligned feature list peak:372 MSLEVEL=2 RTINSECONDS=423.39 PEPMASS=503.1611 CHARGE=-1 FEATURE_MS1_HEIGHT=2.1E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8:2478"] SCANS=372 Num peaks=207 50.293163 18 52.93338 18 53.896435 38 54.058083 17 55.020027 22 55.057755 20 56.688625 18 57.034935 28 57.56398 18 59.012161 140 59.02737 18 60.011463 25 60.665665 18 61.432423 19 63.0452 18 69.222488 36 71.013725 404 71.048088 45 72.639359 18 73.028282 142 73.249352 22 73.623795 18 78.034683 18 80.09462 28 80.678406 18 81.039513 49 83.01075 38 83.80056 18 84.023773 21 85.030479 36 86.393806 17 86.751617 26 87.005829 18 87.453995 18 88.024475 26 89.023857 727 89.042862 22 89.904144 22 90.031746 20 90.463219 28 91.981918 23 92.368774 20 94.796371 23 97.028099 205 99.040619 21 99.087814 18 101.02433 1309 101.458115 19 101.878418 18 102.027237 57 102.974747 19 103.038109 18 104.079582 26 106.088371 28 106.547813 20 108.076195 29 110.413147 25 112.00621 20 112.946045 18 113.023552 405 114.096352 20 115.040024 80 116.087189 18 116.777977 20 118.238556 25 119.034241 541.875854 120.032806 44 120.753738 22 125.02137 39 128.647797 17 130.48381 19 131.034332 81 133.050079 52 133.102341 23 133.854919 27 134.44989 17 134.864639 18 138.453552 22 139.04126 18 139.444885 24 143.034622 248 144.049042 31 145.412781 20 145.85672 18 146.084457 23 147.350372 24 149.043625 100 149.833481 18 151.898102 22 160.960007 18 161.0439 1124 161.730026 20 162.044724 108 162.984039 17 163.057922 36 163.269089 18 164.06636 20 167.030396 37 169.323029 20 174.802048 22 177.094452 52 179.055725 1736 179.376358 17 180.013275 21 180.057343 111 181.059296 41 182.849243 19 187.108215 22 193.246933 17 193.646591 18 197.750702 17 199.646072 19 200.187515 18 200.370422 18 201.86496 18 206.736893 42 210.655014 18 212.523712 18 215.362045 20 221.064758 731 222.068085 20 223.067825 21 223.954971 20 224.258774 18 231.15567 18 231.395645 18 235.217209 30 239.890457 62 241.625839 20 242.469254 17 248.186142 18 251.872284 42 254.350952 26 263.074066 74 263.694305 21 274.580353 20 278.255371 31 281.083984 213 282.090515 20 283.971527 27 285.208435 18 288.45639 21 301.946533 20 304.828522 20 306.912994 22 307.357208 19 308.583527 22 311.096375 25 315.382751 29 315.485077 22 319.226501 57 323.082184 43.434635 323.111816 18 324.10672 26 339.114441 17 341.104004 254 341.917023 25 342.096619 23 343.106201 47 343.178314 17 356.812866 18 358.540588 18 376.089996 17 379.430573 18 380.760437 17 381.323975 17 383.117554 375 384.121521 42 384.639801 18 387.029114 34 387.21402 18 392.660553 17 403.600555 18 414.731781 22 425.119049 39 479.424194 19 503.162323 650 503.922638 23 504.165497 272 504.260071 18 508.052124 24 522.430603 20 539.134521 37 543.137268 17 611.176819 18 615.997375 22 620.194885 18 636.194153 17 672.245239 17 683.192322 20 742.076904 20 849.566467 18 882.25354 18 909.285706 31.000002 985.258667 27 1007.344055 59 1008.29834 19 1032.305054 17 1032.385376 27 1047.383545 51 1057.797363 17 1060.526733 17 1112.302612 20 1140.189087 35 1183.045776 20 1198.383057 20 1199.762451 18 END IONS BEGIN IONS FEATURE_ID=373 FEATURELIST_FEATURE_ID=Aligned feature list peak:373 MSLEVEL=2 RTINSECONDS=423.39 PEPMASS=566.15679 CHARGE=-1 FEATURE_MS1_HEIGHT=7.469E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8:2365"] SCANS=373 Num peaks=242 50.059319 22 50.678619 27 53.41692 22 53.869564 17 54.136326 19 55.089428 24 55.829033 20 55.961731 20 56.212151 22 56.982674 19 57.983803 17 58.272335 28 58.344772 22 58.354435 23 61.148109 18 61.745018 34 61.987514 10910.480469 62.013493 19 62.078693 20 62.202156 17 62.415874 35 62.540615 21 62.608116 30 62.634007 18 62.715496 20 62.970108 18 62.984482 91.862785 63.060646 53 63.126648 18 63.233871 20 63.291058 18 63.514744 18 63.807457 18 63.990284 46 64.483063 25 66.011879 18 66.094658 20 68.384003 18 68.744896 20 69.09626 18 70.362518 20 71.012985 39 74.802223 21 76.076424 20 77.354858 18 79.401871 22 82.219749 18 82.4086 20 84.55864 20 87.007141 17 87.922386 17 88.59877 18 89.022064 38 90.415611 30 90.43251 26 91.636497 22 93.565804 18 98.4272 18 100.434395 18 101.025696 93 101.42012 40 102.531113 18 105.580582 18 107.090057 18 109.972603 18 110.578049 18 110.783401 18 111.675369 30 111.695282 18 111.941772 20 113.02832 18 114.531349 18 117.895714 18 119.034317 40 122.975121 21 124.518799 18 126.186371 35 127.040504 22 129.948944 26 131.23996 23 133.957489 19 135.342163 51 139.806915 18 140.690979 40 140.765671 18 141.307907 20 142.54686 18 143.032013 20 143.081284 22 145.358307 20 152.635361 18 154.467697 18 155.124374 18 156.433838 20 159.331345 22 161.046219 204 167.498688 18 168.451324 18 170.245377 19 173.098831 20 175.984299 22 179.056122 40 181.763916 18 184.09462 31.999998 188.154846 18 189.05983 24 189.513458 19 189.989365 20 190.204025 18 191.0634 26 192.448135 20 192.898407 20 194.87146 29 195.500977 17 197.079041 33 197.33754 22 197.81781 18 208.758026 20 212.345184 21 214.094803 34 221.061615 35 223.588058 18 227.957169 26 231.915588 20 234.051239 18 235.612076 30 238.517776 42 249.346481 30 251.080917 27 256.770081 19 258.82135 28 263.064636 21 263.492126 27 265.145996 17 267.1474 24 280.531738 33 288.861725 20 301.491669 18 304.458832 21 304.667328 23 307.291229 37 312.897797 20 313.532562 21 314.347931 17 323.100708 21 325.09433 18 328.10083 27 340.089508 17 341.106476 86 342.106293 19 348.941681 18 350.708313 23 353.257538 19 356.683289 18 361.001343 19 362.796326 27 372.498596 22 373.016174 18 376.100494 287 377.100647 67 378.098907 18 381.006622 20 383.11499 180 383.204041 19 384.125519 38 386.523102 38 404.002838 20 413.129089 18 425.132385 61 426.135406 33 437.042816 18 438.235901 18 443.153992 19 444.344391 18 446.597382 18 450.860474 20 451.108246 18 460.069885 19 463.226807 18 470.393768 18 488.046967 18 494.762177 20 495.743927 21 503.164062 158 504.159302 141 505.167023 19 514.196777 17 518.368896 22.000002 541.126465 21 543.835693 21 549.162659 18 557.857788 22 563.607483 22 564.418152 18 566.15686 12484.328125 566.338867 22 566.487061 22 567.15863 2683 568.164307 957 569.168396 156 571.141357 37 581.397949 20 584.562622 20 593.172363 18 601.186462 24 609.837952 22 611.364563 26 617.114319 18 625.338074 18 627.777039 18 633.927917 17 635.270203 20 646.497314 19 649.232849 18 668.198547 18 703.405945 18 711.253784 25 749.362793 20 757.58374 18 880.257385 224 881.271484 22 881.324585 18 882.272095 35 902.220825 47.171379 916.886353 26 917.153076 17 929.295837 18 947.320862 20 949.32373 20 961.222595 26 968.267212 18 989.440186 18 1007.320557 179 1008.342346 60.060638 1054.350342 24 1061.254272 61 1085.812134 33 1090.771484 18 1120.255371 17 1153.422241 18 1170.530151 18 1191.781616 26 END IONS BEGIN IONS FEATURE_ID=374 FEATURELIST_FEATURE_ID=Aligned feature list peak:374 MSLEVEL=2 RTINSECONDS=423.45 PEPMASS=639.19841 FEATURE_MS1_HEIGHT=5.068E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:2778"] SCANS=374 Num peaks=59 75.009254 83 75.603462 25 88.037148 41 89.02182 18 115.002846 36 117.018425 118 118.022415 20 132.030807 226 133.014587 289.79245 133.03624 108.20755 133.996368 22 134.017273 121 134.052597 20 135.029465 5708.942383 135.062744 18 135.203949 18 135.533066 20 135.728043 25 135.965454 17 135.976791 21 136.034622 215 136.254898 18 136.291229 39 136.499054 19 136.8638 18 136.990601 267 137.034439 40 137.354065 20 162.051041 22 165.039612 112 180.8564 35 214.322723 21 232.166382 22 251.816666 18 263.074982 17 292.779175 19 297.089874 17 298.077576 20 313.571045 18 331.904083 20 372.261841 18 376.09137 36 390.137726 27 416.941101 17 425.130798 18 428.070892 24 429.141632 23 430.051514 29 434.217987 19 462.995941 26 490.067566 17 526.475708 24 588.126953 27 595.947632 17 639.206055 94 640.19873 91 642.20282 47 643.265686 18 829.068848 20 END IONS BEGIN IONS FEATURE_ID=375 FEATURELIST_FEATURE_ID=Aligned feature list peak:375 MSLEVEL=2 RTINSECONDS=423.48 PEPMASS=376.10096 CHARGE=-1 FEATURE_MS1_HEIGHT=2.271E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8:2544"] SCANS=375 Num peaks=127 70.042358 37 71.013435 20 71.635925 18 76.818382 23 78.958588 3346.612549 79.967461 40 80.026711 19 80.189583 18 95.503235 24 96.969627 1625 97.028397 38 97.394737 19 98.819878 18 98.974388 47 99.92289 18 103.981705 28 104.607536 20 112.175606 19 113.026962 31 118.876541 18 120.744286 46 120.966339 20 122.001694 86 123.687653 18 124.014488 21 125.024117 83.985252 126.032379 21 131.855301 35 136.032501 18 136.960861 22 137.985764 18 138.977142 20 139.95726 18 140.011398 4105.34082 140.479172 18 140.768738 27 140.961914 19 141.015121 53 143.029526 39 144.958069 20 145.397018 22 146.017715 38 150.035614 19 152.46965 20 152.996078 18 156.741287 31 159.941101 18 162.982162 20 172.039017 19 175.78595 26 180.986801 18 182.021698 159 183.031418 21 187.868118 37 195.528732 45 196.042984 23 196.471603 20 196.859589 18 197.798019 24 200.866852 20 204.996597 40 206.020782 68 218.944519 19 221.858429 20 223.000229 186 223.867142 22 224.035034 199.342773 226.876846 21 228.040451 26 236.868591 17 241.004318 23 242.010818 17 244.645691 18 248.03035 73 252.724411 17 256.831696 36 264.112854 18 268.05777 18 270.865295 23 281.946808 18 284.053711 71 285.059967 51 290.842773 21 294.214905 37 300.871735 18 301.796539 18 310.403809 29 315.048462 4526.083008 316.05426 374 316.921204 20 317.049622 150 318.059448 54 318.470917 18 329.067688 54 330.884491 18 332.281036 31 333.024963 33 333.05835 179.66301 334.067627 39 335.054565 18 337.005096 18 338.965851 23 344.857788 18 345.755859 20 347.762787 21 360.840149 28 369.482727 18 370.573273 20 370.612274 18 375.905182 18 376.100647 19498.412109 376.417267 18 376.523254 17 377.105164 2954 377.722992 22 378.106842 750 379.115326 129 380.097382 43 381.247131 20 387.819824 18 399.755402 17 406.867676 22 421.50061 26 431.503143 18 454.754761 21 574.279602 18 613.481018 18 END IONS BEGIN IONS FEATURE_ID=376 FEATURELIST_FEATURE_ID=Aligned feature list peak:376 MSLEVEL=2 RTINSECONDS=423.49 PEPMASS=636.19875 CHARGE=-1 FEATURE_MS1_HEIGHT=9.535E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8:2539"] SCANS=376 Num peaks=68 61.988647 22 71.017731 51 72.710533 17 84.683388 22 88.040482 333 88.980362 40 94.831001 22 114.018372 20 115.003014 197 115.690178 18 117.020325 65 119.035362 25 121.978096 29 130.021393 18 130.109726 18 130.139069 17 131.035492 66 132.029617 11581 132.192657 22 132.304092 20 132.62056 23 133.013184 2166.547852 133.033325 603.452087 133.684875 17 133.99437 37 134.01564 105.119003 134.031586 171.880997 134.273056 20 134.418442 17 134.849915 23 135.030487 805.694458 136.038147 22 136.587234 18 136.925842 18 161.047836 72 162.049423 18 179.05246 17 197.644775 18 201.510864 18 222.070129 28 234.525833 22 238.798615 18 246.395416 18 262.01709 18 311.843018 18 347.341431 17 349.344635 30 350.635254 40 385.359253 17 385.787933 35 402.524475 18 407.1091 19 426.129547 19 430.014099 18 468.64859 19 503.167572 18 520.280212 22 546.115356 17 564.766479 19 573.276062 18 590.135986 19 590.980835 18 636.19458 163 636.277344 21 637.190857 114 638.203125 18 639.208313 110 666.06012 18 END IONS BEGIN IONS FEATURE_ID=377 FEATURELIST_FEATURE_ID=Aligned feature list peak:377 MSLEVEL=2 RTINSECONDS=423.59 PEPMASS=669.20908 CHARGE=-1 FEATURE_MS1_HEIGHT=1.135E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:2776"] SCANS=377 Num peaks=91 51.454441 20 51.662468 20 53.660648 20 55.379005 25 66.728386 20 73.728531 28 75.006439 214 76.091537 26 76.1996 21 77.011566 30 80.052391 22 81.785103 19 81.892021 18 84.077316 19 87.013824 19 89.025322 29 96.968552 18 116.97805 18 120.774521 29 121.088211 20 123.042114 23 129.019836 61 145.019119 21 146.733719 18 147.031403 326 147.450211 24 161.049057 27 162.54007 17 162.986267 65 163.024734 58 163.062012 19 164.024353 52 164.878677 23 164.983902 25 165.039764 18356.570312 165.386993 38 165.441116 18 165.710663 22 166.044739 1614.061768 167.018723 22 167.045456 271 167.147919 20 167.644394 18 167.820358 19 168.04361 24 169.598984 18 170.249161 18 170.302292 18 182.372482 18 192.856827 17 195.048203 20 201.455093 22 225.388947 27 258.683441 22 266.96524 21 270.061707 18 284.421387 18 297.072083 32 297.16861 48 333.676697 26 348.809052 30 352.703583 18 375.191315 21 376.091095 19 435.126007 18 437.028351 96 439.035156 42 444.155487 46 469.098663 28 503.04361 41.509708 503.157196 18 505.026276 117 548.00946 17 550.046448 26 557.088379 83 558.069275 19 559.076477 18 573.975159 18 578.346436 20 623.098511 28 623.613464 20 624.141968 18 624.887878 18 625.077698 17 669.118225 18 669.218445 163 670.226807 181 670.812988 22 671.225159 91 673.194763 20 1012.137634 20 END IONS BEGIN IONS FEATURE_ID=378 FEATURELIST_FEATURE_ID=Aligned feature list peak:378 MSLEVEL=2 RTINSECONDS=428.94 PEPMASS=404.1038 FEATURE_MS1_HEIGHT=6.306E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8:2439"] SCANS=378 Num peaks=165 50.12381 18 52.687561 17 54.089298 49 55.877384 30 57.492229 27 57.712311 20 58.154686 27 58.624836 18 59.260326 26 60.694695 18 61.367023 30 61.987537 642 62.008965 20 63.034992 17 64.707092 18 64.739075 31 65.173882 19 65.628525 18 67.01786 24 68.036057 18 68.5439 22 69.032768 20 70.336456 26 71.201393 24 73.891617 20 74.411217 39 74.70813 17 75.46154 46 76.814697 20 77.367996 22 79.80529 18 80.95977 18 83.148071 18 85.870964 19 88.197052 19 88.456352 18 89.617554 38 90.678619 34 91.563934 34 94.422768 23 94.85849 18 95.331108 49 96.540276 20 96.692032 18 108.841583 23 109.752365 26 110.803963 18 113.770607 18 122.177673 18 126.081848 29 133.871964 55 136.410278 18 136.688889 21 138.496933 44 140.28479 19 141.013306 22 142.226212 42 143.482285 18 146.636688 20 152.513504 38 152.581314 24 153.017181 26 155.583252 19 156.47142 22 157.563034 20 159.017853 17 164.833649 18 165.657776 26 167.158173 21 169.10614 22 172.870804 19 175.933441 22 176.113373 18 179.417725 24 179.832886 18 182.110626 18 184.858429 21.000002 184.922501 20 185.336441 18 185.562698 18 186.27478 17 186.705688 20 189.24411 22 192.022751 29 192.157654 22 198.024109 20 199.090729 17 200.145126 21 200.379318 18 201.518738 23 202.421646 18 204.554337 20 207.710449 27 209.485413 21 216.617477 32 216.716309 21 225.864426 20 226.4832 26 230.084946 25 230.624451 17 233.671494 17 236.097595 18 239.143661 17 240.3647 28 241.533401 25 243.882675 19 244.244858 20 246.306488 18 249.926956 27 258.271881 21 259.872955 18 265.923187 28 269.514801 17 269.990326 21 270.839813 17 270.86554 18 272.036316 18 273.250732 19 279.981354 18 282.163727 18 282.32608 20 297.880798 18 300.806366 34 305.06192 19 310.155182 22 310.828094 20 315.150055 18 315.294495 18 324.867523 20 325.943817 19 327.60025 18 330.081818 38 347.053925 18 353.366547 18 363.181488 18 367.73465 34 393.933716 29.000002 395.914124 27 402.631592 36 402.864258 22 404.105957 117 405.097809 20 430.130157 18 436.460052 24 441.286621 18 453.6875 23 456.762817 22 461.188049 19 470.145844 21 472.402039 18 484.294891 20 549.165833 20 555.794556 25 566.158813 73 649.20105 20 671.691589 17 672.237549 18 847.270447 20 884.119568 18 1029.306274 17 1045.292358 20 1061.230591 23 1096.103394 19 1122.345215 22 1181.226807 17 END IONS BEGIN IONS FEATURE_ID=379 FEATURELIST_FEATURE_ID=Aligned feature list peak:379 MSLEVEL=2 RTINSECONDS=432.83 PEPMASS=539.13762 CHARGE=-1 FEATURE_MS1_HEIGHT=6.28E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8:2410"] SCANS=379 Num peaks=264 50.058456 50 50.842831 18 51.253475 18 51.410332 19 52.097103 20 53.324322 20 54.484833 20 54.839622 19 56.08017 22 57.727989 18 59.011486 21 59.74181 17 60.388504 23 61.830864 20 62.862038 22 64.251602 19 64.357018 22 64.741089 18 67.349251 28 67.479439 20 67.973053 23 70.017448 20 71.012978 18 71.588371 19 72.388 18 73.028 18 77.294456 18 77.85672 20 79.091324 27 79.368904 24 79.409996 20 80.310112 18 81.034531 19 83.011658 17 83.126404 18 83.576927 49 83.599251 19 84.560127 18 84.837227 34 86.912895 18 87.004379 19 87.100121 26 88.535873 18 88.625282 18 89.024582 66 90.025658 20 90.552109 18 90.820976 18 90.917221 20 96.981339 17 97.031303 98 97.263245 18 97.338409 24 98.950211 27 99.008606 18 100.015701 24 100.284027 20 101.024529 378 103.830711 17 104.080864 20 108.468735 27 109.638878 27 111.202316 20 111.251785 18 111.725906 20 112.186966 31 112.985054 40 113.023224 148 113.35408 18 114.424507 22 115.041534 36 115.269028 21 117.300369 23 117.44812 19 118.147202 21 118.773521 24 119.032417 243 119.196907 18 119.332489 42 123.527245 25 125.027748 131.719391 129.244232 20 130.87056 23 131.037766 18 131.286926 18 131.393158 20 133.542053 17 139.283691 24 139.653763 20 140.161728 20 141.016464 18 142.7724 17 143.03624 221 143.226196 25 144.037079 22 147.028458 20 148.196854 20 148.391968 19 149.042465 61 149.291733 18 151.425781 19 154.701691 17 155.302078 19 158.091492 20 158.527954 51 159.902512 22 161.006409 18 161.044662 938 162.052536 51 166.733734 42 168.152145 19 168.269348 22 169.257355 22 171.324875 18 172.353104 23 172.795929 34 173.374832 24 174.157364 21 177.577637 43 178.66713 19 178.81665 28.999998 179.055588 1841.917725 180.058868 85 180.564087 18 180.967789 20 181.915741 18 185.044296 40 185.844772 20 186.505615 23 187.058792 17 187.868073 22 189.144852 25 192.331192 18 193.03418 31 196.666962 20 199.674942 18 201.724365 18 203.589279 32 207.165619 20 208.847855 23 211.904831 18 215.381149 24 221.066086 280 224.099701 19 225.342728 20 229.077377 19 231.984375 23 243.032669 20 244.706772 20 248.674515 22 251.080521 180 253.08313 19 257.341827 22 261.894196 24 263.070343 38 264.395477 23 265.151489 25 268.64978 24 270.098694 39 270.397156 18 274.765472 23 275.613373 18 281.085663 255 284.622803 20 293.080261 18 295.087585 18 295.477875 25 295.732849 22 303.403412 26 306.580017 34 308.376923 19 311.096466 18 311.539032 17 321.087158 24 323.102264 111 323.934052 18 331.836639 23 332.125275 17 341.108765 652 342.111145 111 345.280243 18 351.738647 18 355.779327 18 374.050262 22 383.120178 1234 384.123169 176 385.121582 42 391.219177 27 402.968475 18 403.029053 33 405.593445 24 413.257446 20 417.752258 22 425.119751 78 425.93399 20 426.131866 29 426.880249 18 427.049957 24 427.13031 32 429.043854 20 430.680481 19 431.127594 17 436.043457 22 448.118683 19 448.685486 23 454.60376 20 503.158386 261 504.170013 43 505.17157 20 512.386414 40 532.096497 17 539.138062 1482.779053 540.140015 165 541.06842 18 541.132751 525 542.141357 68 543.141968 36 556.098267 62 557.074768 22 566.143494 98 567.146362 21 592.161682 19 634.040649 49 639.193481 25 665.202087 20 670.237122 42 708.299316 21 713.117554 20 716.598511 19 729.288208 18 748.183533 18 814.099243 21 816.103577 18 826.496338 22 830.191956 18 850.541382 20 893.605347 23 907.971924 18 938.998657 28.999998 942.077393 19 953.216919 17 958.620483 20 964.563477 21 1000.99054 24 1007.405151 18 1021.108582 18 1045.286987 18 1051.304077 18 1055.612549 18 1061.245605 45 1068.187378 18 1091.117432 31 1091.329712 17 1102.574341 20 1116.261475 18 1120.145508 24 1121.177612 18 1121.460205 18 1127.2948 26 1140.402222 18 1163.011841 20 1171.767456 20 1172.787842 20 1194.246948 20 END IONS BEGIN IONS FEATURE_ID=380 FEATURELIST_FEATURE_ID=Aligned feature list peak:380 MSLEVEL=2 RTINSECONDS=432.85 PEPMASS=341.10772 FEATURE_MS1_HEIGHT=7.321E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8:2337"] SCANS=380 Num peaks=64 52.027794 21 58.432442 18 58.692623 49 59.013828 38 64.627342 26 65.034073 18 66.429756 18 66.69545 41 70.943436 18 71.014328 40 73.028313 46 82.637329 21 85.032265 54 87.010895 44 89.025467 152 98.579544 25 101.022064 18 101.031181 22.151453 102.02755 17 108.671211 19 110.633224 20 111.006378 18 112.816238 18 113.026817 50 119.03331 27 120.039558 20 130.18515 20 146.601608 23 151.689148 22 154.59227 34 156.736343 24 157.697235 36 158.987885 29 161.04567 55 163.514053 22 168.786606 20 172.59938 18 179.049927 19.308397 179.064682 31.691605 194.901825 23 195.722946 20 208.85144 18 209.291412 18 213.356323 38 221.071609 98 222.079086 32 225.913208 21 248.031296 18 250.834045 36 260.258087 18 285.639862 22 289.761292 22 297.248474 17 323.021545 50.000004 324.979645 23 340.199646 65 341.107361 24 343.079529 22 373.585449 32 434.977051 21 462.734161 18 580.427979 17 585.587524 30 739.056152 20 END IONS BEGIN IONS FEATURE_ID=381 FEATURELIST_FEATURE_ID=Aligned feature list peak:381 MSLEVEL=2 RTINSECONDS=433.13 PEPMASS=1007.33047 CHARGE=-1 FEATURE_MS1_HEIGHT=7.837E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8:2332"] SCANS=381 Num peaks=102 62.417725 20 71.012527 25 75.085587 19 83.013641 18 89.021629 60 97.028061 20 98.031349 25 99.04232 21 101.024048 398.857117 107.03212 18 113.024315 116 119.034454 80 125.02343 18 131.031097 18 143.035934 121 149.043549 21 161.04512 1395 162.04744 83 163.04982 18 169.792328 19 173.623322 18 179.055252 1879 180.057495 135 184.344955 18 186.042252 18 188.008774 17 201.68631 20 209.150192 28 220.434082 18 221.06514 254.181961 222.066772 38 222.887268 18 229.464401 18 230.645081 18 234.906174 41 239.171356 24 239.623856 26 251.074249 218 252.07753 23 253.587418 17 269.0914 18 271.74527 17 280.335175 20 281.084869 479.544342 281.470306 24 282.084686 52 284.082886 18 293.085693 18 294.169891 18 295.339508 24 297.874542 23 302.040741 20 305.088135 18 311.094055 39 316.482849 18 323.097443 184 324.09903 35 333.714508 18 341.107727 2600 342.11618 269.708862 343.113647 63 344.10495 18 345.209534 20 358.35257 22 366.555481 17 383.116577 348 384.128632 45 386.127258 17 425.130951 355 426.124878 52 427.13916 20 443.138916 21 450.034576 22 460.622314 21 495.751709 17 503.160431 2406.994873 504.164124 605 504.260956 17 505.169098 55 530.1651 18 533.161804 37 539.11731 18 602.127747 17 628.1922 18 643.215271 19 647.192322 18 665.210205 38 681.974487 20 755.149902 17 756.248413 22 776.884888 23 844.708862 21 845.269348 121.999992 924.94928 18 930.311646 18 947.307434 36 948.311829 21 1007.148193 18 1007.33667 276 1008.337646 159 1009.323853 66 1070.354004 20 END IONS BEGIN IONS FEATURE_ID=382 FEATURELIST_FEATURE_ID=Aligned feature list peak:382 MSLEVEL=2 RTINSECONDS=433.50 PEPMASS=503.16112 CHARGE=-1 FEATURE_MS1_HEIGHT=2.473E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8:2331"] SCANS=382 Num peaks=234 50.269211 20 51.120167 22 51.941944 19 52.208145 17 52.931957 18 56.188519 22 56.294106 21 58.108006 18 58.261646 22 58.312744 18 59.012642 293 59.681 18 59.876987 20 60.251408 18 62.537411 18 67.127289 32 67.568642 18 68.18644 18 69.792419 28 70.282089 25 70.839043 22 71.012711 496 71.157898 17 73.029633 526 73.087761 20 73.144981 22 75.030899 26 75.52417 25 75.852974 21 76.341988 17 77.596146 33 78.027718 26 79.024483 70 79.119621 20 79.742378 22 81.033356 42 82.032303 20 83.015266 252 83.513756 25 83.586533 47 83.922523 28 84.019012 22 85.4095 19 85.772209 18 86.560631 18 87.008904 91 87.044937 25 87.501923 20 88.506355 18 88.895958 19 89.024284 1224 90.028412 53.534042 92.042114 20 96.834877 22 97.02874 326 98.031471 22 99.036171 20 99.045845 18 99.868225 18 100.04422 18 101.024307 2229 101.362885 18 102.024368 26 102.099701 18 107.686852 24 108.194183 18 113.023308 505 113.412453 21 114.033417 31 115.002266 20 115.038849 118 115.788818 18 116.039841 18 116.982079 21 119.034584 932.249207 120.039551 18 122.035744 19 122.717796 18 122.767975 19 122.782013 18 123.712349 18 125.024124 225 126.027924 41 127.832932 18 127.847389 27 128.598312 19 130.287674 46 131.034439 231 134.644547 25 135.879684 17 141.727371 42 143.035522 462 143.470718 18 144.040375 41 147.338806 21 147.748352 20 149.045151 119 150.50235 29 151.048782 20 154.903229 21 158.702621 25 158.914459 20 161.045776 2547 162.048309 156 162.225311 18 162.511826 20 163.700699 22 165.075699 23 167.040024 27 168.812515 23 169.365784 17 170.19664 19 170.925873 18 174.139465 18 174.347794 22 174.389435 18 175.258728 18 175.32515 18 176.310852 18 176.998978 46 177.975876 17 178.98201 17 179.055389 3647.36499 179.104874 21 179.138748 18 179.401413 19 180.059586 345 181.058701 23 182.049835 20 183.57988 17 185.046005 18 186.876358 23 186.944534 19 192.450623 28 193.601913 19 198.823227 17 208.097977 23 209.261047 18 213.473099 18 215.85524 26 216.66124 18 220.247116 20 221.066513 1627 222.06749 132.684311 223.067856 38 224.575577 19 244.113403 17 251.080582 70 263.075714 22 263.486938 17 263.702545 18 264.140717 30 265.123932 17 270.666901 17 273.057159 18 273.786011 32 275.185974 20 279.556793 18 280.832733 21 281.088196 426.740051 282.088257 18 290.182251 18 292.011139 18 297.056793 22 304.629303 18 305.904114 41 307.625458 35 310.202484 28 311.106262 101 313.137268 22 323.094147 99 324.093353 18 325.109558 20 325.749939 20 328.237061 17 331.92157 25 339.422302 46 341.108246 457 342.108612 57 342.690338 22 342.838226 41 343.112854 18 344.641602 31 356.810852 20 358.125458 18 362.903015 18 363.842957 52 377.086609 20 377.579193 20 383.11676 383 384.125549 63 385.510956 25 391.835754 49 395.736084 22 396.023834 18 407.159424 17 418.78476 27 424.536926 25 425.128571 18 437.033264 27 464.495636 30 503.161194 657 504.161072 186 528.145081 18 539.136902 24 561.4552 24 566.156799 40 567.15448 38 577.2005 17 588.999573 21 594.175781 20 627.307556 17 646.601624 24 647.313354 18 650.222595 20 678.497803 18 825.344849 21 867.243835 29 867.290588 22 880.114929 17 985.72937 18 987.800659 19 1007.320068 101 1008.318604 41 1030.325684 19 1071.723267 27 1077.721436 18 1083.222046 18 1091.331421 27 1121.331421 17 1122.174194 26 1136.74353 19 1164.502197 18 1193.331909 20 END IONS BEGIN IONS FEATURE_ID=383 FEATURELIST_FEATURE_ID=Aligned feature list peak:383 MSLEVEL=2 RTINSECONDS=433.95 PEPMASS=566.15681 CHARGE=-1 FEATURE_MS1_HEIGHT=6.168E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8:2326"] SCANS=383 Num peaks=188 52.400467 18 52.455273 26 52.794506 26 53.009296 18 53.205399 19 53.279999 19 54.234573 17 57.479691 18 57.523552 17 58.451992 18 59.014786 47 60.209408 20 61.586464 22 61.987698 8350.234375 62.02076 18 62.199135 19 62.468525 18 62.710106 18 62.731453 158 62.784588 27 62.936089 20 62.98291 55 63.990227 39 65.184853 38 66.015266 19 69.089554 20 70.343544 63 70.546417 20 71.010254 21 73.278946 23 75.86795 22 76.753723 20 78.806175 21 79.067772 23 82.992844 26 83.754486 17 87.115837 17 87.406181 18 89.02243 39 89.641678 19 89.779343 18 91.850769 17 95.875298 29 96.465965 37 96.966515 28 99.099693 20 99.602768 24 101.022697 72 102.329788 24 102.668335 25 102.722008 20 108.463844 18 113.022552 44 115.268608 22 116.610336 22 117.773796 18 119.033058 39 120.049225 21 120.955429 20 121.035118 22 124.645554 20 126.281364 18 126.294281 18 129.022888 18 130.219055 21 130.674728 18 130.69751 20 131.02565 20 133.867996 21 135.134018 17 135.832352 18 137.144623 22 141.515198 21 143.547379 19 145.89447 19 145.915787 25 146.086685 18 146.722519 18 148.151306 18 149.044952 40 150.381744 18 152.005997 18 154.588028 23 154.635864 30 159.394043 18 161.046387 62 163.089111 19 163.647705 18 166.758148 33 168.375122 20 169.666748 22 170.287994 51 171.406967 22 172.200806 21 174.954102 19 177.038315 111 177.89769 33 179.054169 253 180.056168 20 183.756546 17 190.401566 19 193.155731 17 198.134064 20 202.572693 18 204.424591 22 204.680893 20 205.197723 17 206.667999 21 221.070938 67 225.371155 18 225.392731 23 226.087662 27 226.726227 22 228.501572 19 238.310364 22 246.398376 18 251.07637 17 254.70575 20 256.268921 27 257.11441 17 281.092651 60 282.081604 18 284.113647 24 285.637695 17 286.821533 18 294.762878 26 308.014648 20 311.110321 43 320.017487 20 323.097443 19 328.45401 17 334.624878 21 339.283295 22 340.23999 29 341.077026 19 341.1073 186 342.1138 74 377.343842 17 377.397278 23 383.113098 92 383.168732 20 384.123688 21 385.1185 20 387.48645 23 388.899475 17 418.830048 37 425.128021 54 433.97168 18 460.136383 18 465.120636 18 478.098083 28 479.251038 26 501.140686 18 503.151642 39 522.200989 18 526.037354 18 539.142883 20 541.13031 18 549.122559 24 549.160583 20 557.887756 19 559.771484 18 560.70459 18 562.252197 27 566.155884 7326 566.236877 24 567.157532 1815 567.271729 18 568.162231 317 569.166138 89 573.801025 20 578.089111 18 582.624756 19 584.599731 22 623.349121 18 632.210144 33 633.134766 18 634.188599 18 799.226501 22 844.542847 18 1011.352051 23 1031.327393 26 1061.244141 17 1115.233643 20 1130.230347 22 1151.542358 20 1170.295166 17 1175.105713 18 END IONS BEGIN IONS FEATURE_ID=384 FEATURELIST_FEATURE_ID=Aligned feature list peak:384 MSLEVEL=2 RTINSECONDS=434.88 PEPMASS=549.16668 CHARGE=-1 FEATURE_MS1_HEIGHT=2.067E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8:2336"] SCANS=384 Num peaks=304 51.456772 20 51.806782 35 53.042362 27 55.016438 18 55.22031 18 57.31036 19 58.069916 19 58.984089 20 59.012653 593 59.077446 21 59.094372 18 60.239628 25 61.028725 18 61.088608 17 61.312275 18 61.756924 18 63.219887 21 66.194626 20 66.413452 19 67.801331 18 68.071068 17 69.029396 19 70.792938 24 71.013504 947.487 72.017281 41 73.011078 22 73.029091 662 73.122589 22 73.859375 22 74.034424 22 74.983902 18 75.553871 28 76.825432 20 77.776085 22 81.033737 81 81.125595 18 82.330124 35 83.011818 141 83.34285 23 83.706322 17 84.388939 18 85.028145 77 87.009827 211 87.04361 17 87.158737 27 87.904533 20 89.024139 2416 89.259071 18 89.456184 20 90.024765 19 91.0271 58 91.070137 17 91.963646 23 92.790672 23 95.015404 19 95.389275 19 97.02858 1017 97.554543 18 98.031876 71 99.005852 37 99.045731 38 100.433548 18 101.02446 4768.569824 101.718407 23 102.029434 327 102.185905 20 102.232208 18 102.310036 20 103.03112 20 103.372429 25 104.603737 20 104.77581 18 105.439255 18 107.032127 36 108.277313 20 108.341682 19 108.982452 26 109.775925 18 109.844925 19 111.32547 18 113.024422 951 114.02829 68 115.038757 281 117.30143 18 118.007805 18 118.915916 20 119.03447 1824 119.255394 24 120.039017 191.757187 121.03569 39 122.185204 21 125.024628 221 125.057938 18 125.350517 20 126.472382 18 128.635696 23 129.080978 23 129.974258 27 131.034363 474 132.035416 18 133.041214 59 133.38855 19 135.692978 20 137.026184 51 139.036194 21 140.009918 24 140.204666 18 140.593979 17 141.434341 22 142.594193 24 143.033951 1291 143.570511 18 143.708328 22 144.039963 65 144.120026 22 145.78389 17 146.085098 26 147.867661 20 149.045731 282.071716 149.157852 18 149.333359 19 150.825485 24 152.77092 68 154.167557 19 155.029999 58 155.71315 18 159.765366 30 159.890121 17 160.980972 22 161.044891 6194 161.263824 17 162.048996 493 162.626968 18 162.944321 20 163.050507 149 163.727448 17 163.835068 43 166.525955 24 166.786835 17 168.039536 21 168.164017 18 168.21994 18 171.118011 18 173.084793 18 175.360077 20 175.948196 19 177.553146 36 178.757431 18 178.989182 18 179.055466 10895.5 179.139969 20 179.168594 22 180.059357 1190 180.160156 20 180.333099 18 180.503143 27 180.67337 18 181.062546 37 183.089127 17 183.611115 20 184.817398 27 185.047134 82 185.963181 25 189.996658 18 193.493256 40 193.671951 18 194.803238 24 196.773453 17 197.505814 23 199.001862 19 201.317719 25 202.646011 20 204.067184 24 204.185013 21 205.114227 25 206.400055 26 209.068649 17 211.536758 18 219.969711 18 221.065659 3730.220459 221.694626 21 222.070724 334 222.302307 29 223.076569 46 224.067688 20 225.901367 19 230.785553 40 233.066971 18 234.467606 18 235.359665 21 235.645996 17 239.871796 18 241.353226 18 244.388611 23 245.067413 79 250.4841 18 250.860947 20 251.076843 521 251.355225 17 251.793732 18 253.088364 17 253.174942 25 253.470459 49 258.564545 18 263.033386 24 263.058594 69.645439 263.074646 179.710876 268.434753 18 269.089783 38 269.319214 17 270.226532 21 277.469543 21 280.097595 18 280.973511 54 281.0896 1288 282.090668 115 283.097168 38 290.187805 18 293.392395 29 296.310638 20 296.613251 18 300.20871 20 300.983551 18 306.088684 18 308.113403 17 310.499512 25 311.098938 138 312.099823 86 316.994781 17 320.539703 20 321.853912 18 323.099579 1295.104004 324.107666 248 324.614044 20 325.098999 55 335.062073 18 336.058075 17 336.155762 19 340.084259 23 341.108551 4380 342.111969 693 343.110443 137 344.11676 18 345.457825 20 347.214844 36 361.532379 33 364.504028 19 372.374939 22 383.118896 3217.757812 384.124969 479 385.119141 76 385.659576 23 387.318115 17 389.140472 25 391.546936 18 391.801849 21 394.051849 18 403.302155 18 406.786865 18 409.687042 18 419.516388 18 420.471924 41 425.131836 506.666504 426.134155 112 429.892151 23 432.855682 42 441.373657 18 443.133789 70 471.10614 19 481.167023 18 502.657654 17 503.091827 20 503.161072 7891.991211 503.98761 25 504.167572 1402 504.256958 18 504.365936 18 505.164551 264 506.164062 18 506.591797 18 507.059296 20 524.831116 19 549.163147 224 550.182129 117 552.076782 20 553.011902 20 607.801941 18 638.956055 20 658.221252 19 664.488525 31.000002 719.38324 21 845.274719 18 850.191833 17 910.196228 23 1007.309143 39 1065.272949 18 1072.49939 18 1075.300293 18 1152.224121 18 1169.740112 23 1170.324585 33 1172.166016 20 1195.833008 23 1199.408569 18 END IONS BEGIN IONS FEATURE_ID=385 FEATURELIST_FEATURE_ID=Aligned feature list peak:385 MSLEVEL=2 RTINSECONDS=435.61 PEPMASS=243.01748 FEATURE_MS1_HEIGHT=6.665E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8:2190"] SCANS=385 Num peaks=158 52.526707 22 53.745548 21 54.064751 20 56.312218 19 57.414574 25 57.653915 24 59.013794 18 60.691509 18 60.80545 17 62.561539 23 63.202396 18 63.640045 19 65.394417 18 65.906326 18 66.462601 27 67.019188 20 68.323631 21 68.602097 18 70.320038 37 70.798157 18 71.012497 70 71.249992 17 71.770119 30 72.181183 23 73.026062 40 73.580368 24 76.312759 18 78.311066 34 79.743355 30 79.957764 671 80.4627 27 80.889809 33 80.965118 333 81.397545 22 81.472961 19 81.668236 20 81.741882 18 81.954124 41 81.969604 43 82.95752 17 83.012817 18 83.684517 18 84.205055 29 84.539215 17 85.030609 26 89.023254 203 89.730415 23 95.015472 24 100.017761 38 101.022888 117 101.619858 25 104.764206 42 110.02285 24 113.024864 100 115.342232 18 116.403236 20 124.164909 19 125.001656 40 129.02803 32 131.889603 18 140.646545 20 141.375839 17 144.249985 18 146.962357 18 148.675827 22 150.436371 21 150.911057 23 154.623383 17 160.72551 80 161.042679 18 164.895813 39 166.864136 21 175.866165 39 175.959351 18 178.29068 22 179.050369 18 179.807755 35 181.15062 17 181.253143 20 181.968338 20 182.995804 18 184.592255 23 184.875809 18 185.028061 17 189.894058 22 190.687668 21 191.990112 18 196.972748 22 201.06221 18 202.062943 17 202.718552 24 203.470078 18 203.937592 22 204.706833 20 207.923111 18 213.001205 17 213.298813 23 216.009689 18 218.477051 23 224.8564 86 227.054901 20 231.600906 38 236.412338 21 241.878189 18 242.056 18 242.176529 21 243.017319 5459 243.072784 26 243.195343 44 243.251511 18 244.021652 530 244.87851 19 245.011047 322 246.028671 20 246.111313 18 246.58371 23 247.701645 17 247.889984 17 259.684814 21 259.873566 18 263.473663 18 264.253448 17 270.924744 20 271.92691 21 276.116882 33 277.712799 24 293.638428 38 295.560486 18 313.793457 19 324.120331 18 325.465027 20 327.699982 29 337.446899 17 339.182007 21 346.059296 28 419.490509 30 420.605713 18 437.375214 18 492.547516 53 506.256989 18 506.656677 25 510.930786 22 540.141174 18 543.833557 18 548.859131 23 589.980713 19 855.620239 19 962.92749 19 975.372498 18 1018.090393 23 1032.765259 20 1069.021362 19 1097.765747 20 1104.716064 18 1146.229614 18 1177.047729 20 1179.687378 18 1180.488403 18 END IONS BEGIN IONS FEATURE_ID=386 FEATURELIST_FEATURE_ID=Aligned feature list peak:386 MSLEVEL=2 RTINSECONDS=442.88 PEPMASS=353.07197 FEATURE_MS1_HEIGHT=9.803E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8:2906"] SCANS=386 Num peaks=211 50.413704 22 50.421539 35 51.416847 19 52.707893 20 53.307343 17 55.153202 21 55.447762 18 55.948143 19 57.032677 39 58.994392 18 59.013931 586.890198 59.176376 18 60.014305 27 62.511837 18 63.451946 17 63.977463 21 65.858566 19 67.495857 18 68.603851 21 69.8582 22 70.702263 18 71.011909 354 72.196831 18 72.933807 20 72.991547 699 73.027397 43 73.429794 19 73.993599 18 75.010284 39 75.516258 22 76.015823 22 76.510918 28 77.647346 18 79.195068 19 80.181419 22 80.451088 20 83.009842 18 85.028671 697 86.734497 17 86.971634 21 87.009361 90 89.02417 499 90.025368 44 95.019165 21 96.959755 35 97.032043 31 97.320145 21 99.007317 55 100.009201 21 100.614975 24 101.023857 265 101.731941 17 102.026421 21 102.115944 17 102.287582 18 102.871307 20 102.923203 18 103.0028 573 103.041519 23 104.009102 18 104.050743 20 104.53109 17 105.0047 20 107.049561 20 108.063263 29 111.013092 18 111.082565 18 111.441551 19 111.852859 43 113.02356 899 113.253723 19 114.025642 20 114.067017 18 115.574028 34 116.005814 28 119.032089 38 119.803513 18 124.240608 30 127.601662 20 129.014343 60 129.821198 17 130.016632 21 131.033051 387 131.797318 19 132.036667 21 133.016144 300 133.040482 18 137.03624 20 139.081726 30 140.960419 23 141.288803 18 142.888016 20 143.348724 37 145.544098 22 146.890472 22 147.025513 18 152.488037 18 152.517685 22 153.564636 17 153.869598 29 154.985703 17 157.014526 105 158.321121 23 159.026459 18 159.888351 22 161.009644 21 161.41243 18 163.017731 36 164.032776 17 164.084839 24 165.044403 23 167.005936 23 167.027771 19 169.197159 20 169.223038 20 169.653091 26 175.024048 202.315063 175.191452 19 175.631592 20 176.027725 23 176.855835 20 187.827682 21 189.463501 17 191.037796 26 192.059937 57 192.186234 25 193.035431 2317.005371 194.037598 229 194.14624 18 194.36734 20 194.963333 22 195.040573 109 204.107285 18 205.05011 17 209.698914 28 209.915558 18 211.801132 25 212.163437 22 213.749741 19 216.731812 21.000002 216.860474 17 235.044693 17 235.500702 18 236.407288 20 237.86586 19 238.864166 19 239.515762 18 242.165192 20 245.438843 22 250.013504 20 253.521896 22 253.695053 18 254.066269 24 263.588165 25 264.068787 33 264.98465 36 266.156097 23 269.536987 17 270.168518 26 270.226196 26 271.66095 18 273.498169 25 274.658691 23 274.894653 22 277.039459 43 278.585266 22 280.318054 22 280.489777 19 282.53833 17 284.581726 30 288.726227 39 291.136841 21 295.360107 18 299.272827 20 309.074158 18 311.388702 17 312.127686 19 316.18924 22 319.872711 18 320.749573 24 327.286407 24 332.705048 22 334.949188 22 352.019897 27 352.102783 18 353.072937 1587.625244 354.035919 18 354.075531 73 354.219025 39 355.092834 35 370.266083 18 402.224609 20 412.091522 30 436.500671 23 468.92511 18 474.93866 22 504.620544 17 530.964661 23 547.247498 25 548.286743 35 571.122925 27 594.441833 19 597.732727 22 777.12323 20 898.871704 48 905.116394 18 972.362671 21 1090.809448 22 1107.95813 19 1124.097534 19 1145.083374 27 END IONS BEGIN IONS FEATURE_ID=387 FEATURELIST_FEATURE_ID=Aligned feature list peak:387 MSLEVEL=2 RTINSECONDS=443.93 PEPMASS=728.2102 CHARGE=-1 FEATURE_MS1_HEIGHT=1.094E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8:2687"] SCANS=387 Num peaks=187 50.058674 20 50.625858 19 51.354668 57 52.162586 21 52.686268 18 53.385372 19 54.56255 20 56.647606 20 57.368912 17 57.973148 17 58.962357 20 59.721786 18 61.752937 30 61.987804 1214 62.250298 18 62.706036 22 63.560844 20 63.990623 18 64.532051 20 65.727921 18 67.667664 17 70.175018 28 70.674889 21 71.015663 28 82.520309 18 82.529953 18 82.680687 27 82.898903 21 92.709793 17 92.87281 21 93.426491 17 95.869278 18 96.543121 20 98.535721 20 98.830055 26 99.732841 32 101.025032 80 101.233803 20 102.841026 18 103.377907 18 104.477203 19 105.936569 21 106.332359 21 106.855675 17 113.997223 18 120.110672 17 120.212715 23 121.026726 22 122.047768 20 125.613884 21 125.779663 18 127.549248 20 130.672195 23 132.187042 17 133.314346 20 133.913574 19 134.95282 21 136.24382 18 137.009537 18 137.350494 18 138.943558 31 139.155075 27 139.700073 18 143.033783 77 154.068069 19 154.850922 22 156.698593 18 157.152924 20 158.450745 20 161.046387 451 162.048645 18 163.506973 18 165.525421 18 166.414444 24 171.696457 24 173.80928 18 176.939362 17 179.056534 158 185.468033 19 190.45343 23 193.041077 46 195.26767 18 202.133499 36 205.977478 22 207.97438 29 209.504272 20 215.311295 43 215.534393 20 217.833618 21 218.835068 18 221.071838 50 222.047607 29 225.215012 22 230.289154 29 231.29306 49 233.486191 18 235.829453 23 237.007233 18 238.390121 20 244.801514 28 259.461761 23 261.482452 18 263.078583 48.999996 267.06192 22 275.95929 18 279.907715 19 281.08963 60 282.557526 29 288.164673 23 289.398163 17 289.704285 22 302.776031 18 302.996246 20 303.891754 24 306.934021 18 310.385223 18 312.131287 20 315.266907 26 331.104919 18 334.474945 18 341.109528 318.943634 342.102631 52 353.0737 51 354.179901 19 356.82547 27 364.080536 18 365.117676 18 369.739716 18 383.122131 148 384.130341 20 385.117767 17 421.918945 35 424.872314 17 425.131256 69 426.14679 18 440.994232 17 443.137115 81 445.151001 28 445.513062 18 455.152405 17 503.172699 23 504.169342 18 530.134644 17 545.176758 319.145721 546.182312 59.000004 547.174744 42 554.96106 18 555.159485 18 560.307861 20 571.0979 22 582.336731 28 587.181519 170 588.19165 35 592.837402 20 594.115479 20 605.186951 39 611.090759 41 631.082275 18 658.058228 19 665.215332 95 665.57196 20 701.175659 18 701.793396 18 704.19873 24 722.99469 21 728.209106 3742.236328 728.312805 30.000002 729.212402 1047 730.120972 17 730.222229 322 730.400818 18 731.233704 17 731.378052 19 737.233337 28 785.956604 23 825.227051 27 839.264893 18 860.247009 20 942.953857 17 1047.192261 20 1079.423828 20 1083.689331 24 1110.172729 27.999998 1121.899048 25 1132.876831 19 1149.808105 18 1170.63623 22 END IONS BEGIN IONS FEATURE_ID=388 FEATURELIST_FEATURE_ID=Aligned feature list peak:388 MSLEVEL=2 RTINSECONDS=444.01 PEPMASS=665.21437 CHARGE=-1 FEATURE_MS1_HEIGHT=9.802E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8:2410"] SCANS=388 Num peaks=227 50.428024 19 50.85318 19 51.743626 46 51.886795 18 52.149532 38 54.569191 24 54.634174 17 55.119442 30 55.993019 24 59.012745 38 59.315548 23 59.365723 20 59.771832 22 61.162952 23 61.808678 34 62.117218 25 62.6768 20 63.542141 20 63.800602 40 64.206055 28 64.550522 18 64.942352 18 65.43882 20 66.296257 21 66.482536 33 68.09388 27 68.94796 17 70.450775 20 70.85508 33 71.014084 60 72.017395 40 72.855247 18 73.028053 192 74.002289 18 74.029572 20 74.282745 17 74.899979 17 75.1343 24 76.000755 29 77.638115 28 79.053459 19 80.25412 23 81.028664 25 82.425629 20 83.014999 22 83.349678 21 83.479103 20 86.69104 20 87.011932 26 89.023048 181 90.459335 37 91.027161 20 92.652985 18 93.802689 20 94.74881 18 97.030113 206.815857 98.033463 25 101.024506 570 101.747429 18 102.030777 21 102.756493 18 104.694778 21 104.759315 23 106.477272 22 107.336082 23 110.532661 30 110.643715 21 111.16098 18 113.021553 118 113.56234 31 115.037384 92 116.733994 20 119.032104 173 119.947159 20 122.918274 22 123.862061 29 124.498886 19 124.694405 17 125.02523 56 127.975159 17 128.290634 21 129.951904 18 130.461761 35 131.031006 22 131.352905 20 131.383347 18 131.523972 31 132.16655 17 132.793198 18 133.05014 33 139.172607 18 141.019287 23 142.194763 18 143.035812 207 144.774857 20 146.967667 54 148.559799 26 150.652924 18 152.316193 21 155.242889 18 160.027512 18 160.468643 23 161.045044 2729 161.731033 24 162.04863 130.105896 162.988083 23 163.022736 18 163.64502 18 164.823639 20 169.320023 25 172.63002 18 175.359543 29 176.065308 23 177.719101 18 178.017029 20 178.951004 18 179.055542 984 179.177979 18 180.057709 39 180.780685 17 184.061127 23 195.828934 23 198.330124 18 200.404053 20 201.749359 20 203.051788 18 203.155701 19 204.531998 20 210.306213 28 212.709763 22 215.327606 18 217.884186 23 221.06427 467 222.070633 101 223.046722 18 223.075577 45 233.843536 22 235.364075 17 241.734573 24 258.971985 20 260.429504 22 261.206635 19 263.078613 425 263.841339 20 264.272278 20 264.335205 20 265.409912 27 267.550354 26 274.906067 18 277.973663 30 281.087158 243 282.089325 44 283.088593 18 289.603851 18 295.083374 18 300.732697 18 302.961914 19 308.012573 19 316.320984 20 316.370026 18 317.093872 21 317.752502 21 326.001038 20 332.338318 23 333.758728 21 337.167877 17 341.109711 499 341.560364 18 342.111023 99 343.108246 38 344.118561 18 376.097931 19 383.119171 1031 384.119812 109 385.111755 21 411.681854 20 413.297241 24 425.131683 342 426.121552 39 443.140442 193 449.861511 22 483.591919 20 503.164825 220 504.170135 66 505.655182 18 545.172241 838 546.178162 100 547.171021 141 557.787231 18 564.80835 19 587.183228 240 588.187256 49 592.338684 22 599.898682 30 603.973633 37 605.187073 45 622.101257 20 647.850464 18 665.216858 146 666.223328 37 689.501831 25 701.197327 19 728.201477 18 735.231934 29 758.706238 20 760.258362 22 761.871155 18 792.747864 20 837.844177 25 843.389526 21 865.246948 18 890.257507 18 901.193298 18 913.043701 19 963.805176 20 1018.292358 22 1023.936951 17 1044.116211 25 1064.083984 18 1084.336426 18 1088.697632 18 1097.629272 18 1123.048218 28.000002 1124.810669 22 1140.16687 24 1152.568848 22 1178.698364 18 END IONS BEGIN IONS FEATURE_ID=389 FEATURELIST_FEATURE_ID=Aligned feature list peak:389 MSLEVEL=2 RTINSECONDS=447.63 PEPMASS=331.1135 FEATURE_MS1_HEIGHT=7.022E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8:2417"] SCANS=389 Num peaks=224 52.153515 18 53.106289 18 54.994091 18 56.217392 21 56.376511 19 57.078915 25 58.589432 18 59.015129 29 59.634949 44 59.803532 18 60.307529 24 61.866867 17 63.092747 20 63.531998 28 65.231712 22 67.030151 18 67.088455 18 67.54731 20 67.621437 34 70.152626 18 70.176132 18 72.011787 26 72.088989 18 72.565811 31 77.71347 22 77.788452 21 78.680573 18 79.018852 18 79.571907 19 79.654045 18 80.832771 28 81.097786 21 81.125992 22 84.164314 27 87.15847 33 88.374626 18 89.037079 18 89.139771 25 90.022064 25 90.670982 19 92.818115 30 93.005035 17 93.04686 265.999207 93.687073 18 93.700043 18 94.04438 18 96.015602 25 97.191544 20 98.610802 17 103.980263 20 105.585854 44 106.693649 22 107.018059 36 108.05925 182 108.291542 18 109.039169 36 110.073135 169 111.005493 22 111.071724 20 113.097725 27 113.425362 23 114.031197 18 114.516701 18 117.22567 25 117.941856 18 118.039658 79 127.406555 20 127.85582 26 128.097412 22 130.672531 18 133.470566 20 136.052582 79 136.471741 25 137.035095 423 137.05986 30.187864 138.033844 19 141.028549 17 141.545227 20 142.267593 18 142.574097 21 142.772842 27 142.98024 25 144.560089 26 146.961594 22 147.650009 20 148.128677 20 148.62822 20 149.348282 18 152.80101 18 154.061371 7574.814453 154.897018 18 155.062943 723 156.065384 90 156.196625 18 156.576157 20 158.302078 23 158.908691 23 159.2995 18 159.659592 18 162.416153 18 164.896332 20 165.154709 19 165.330658 23 166.051193 20 166.556641 20 170.704727 23 171.818985 18 171.833923 18 173.407639 17 173.903915 17 175.282913 20 176.044479 219 177.05336 20 181.065277 17 187.637543 26 196.741409 18 197.809677 20 203.004425 22 203.574585 18 214.337326 28 214.408768 18 217.060669 20 218.019531 17 218.760818 20 222.634979 19 223.067093 20 223.485489 17 229.768066 18 231.128738 25 235.139999 20 236.800461 49 238.131256 20 239.037109 89 239.837631 35 239.951019 17 240.941559 20 242.28183 25 243.591049 28 249.564407 18 250.390823 17 253.979889 24 254.176865 24 261.151825 20 262.798706 18 265.387848 17 268.086914 22 268.407349 20 268.744934 22 272.546722 23 279.500885 28 281.843811 18 285.578491 22 286.943756 22 288.690582 18 291.480225 17 298.80011 18 299.498505 20 309.129303 43 309.57663 18 311.574615 18 313.739136 18 315.767487 17 317.523285 23 325.021088 20 331.111847 510 332.023804 18 332.112396 79 335.217773 18 345.336639 20 358.056244 28 369.246521 26 377.591766 18 384.799652 34 385.339111 17 390.981476 18 407.113251 18 408.957184 19 443.056671 20 455.504395 19 455.705048 18 464.231537 19 487.233398 22 488.017365 43 496.174835 17 497.19165 25 510.182281 19 515.956482 24 529.346008 22 536.157776 17 537.173645 18 538.24408 22 540.44281 24 545.643616 18 566.143188 18 578.279785 20 654.872498 20 661.560181 17 701.176331 20 702.176575 18 720.075867 18 741.089294 18 752.940247 18 765.05188 18 788.060425 23 822.104797 18 905.070618 44 907.171936 18 919.275757 22 927.926147 18 930.975098 18 946.072998 22 948.074829 17 962.054443 17 1016.264954 18 1028.099487 26 1029.214844 21 1031.075562 18 1061.263306 53 1108.717651 17 1117.165649 18 1133.181396 20 1143.757324 37 1152.980957 29.000002 1162.439453 20 END IONS BEGIN IONS FEATURE_ID=390 FEATURELIST_FEATURE_ID=Aligned feature list peak:390 MSLEVEL=2 RTINSECONDS=447.92 PEPMASS=154.06173 CHARGE=-1 FEATURE_MS1_HEIGHT=6.709E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8:2525"] SCANS=390 Num peaks=265 52.299709 44 52.440464 18 52.90728 22 54.112839 20 55.016869 21 55.890656 17 56.767689 17 57.079533 20 57.595657 30 57.709877 18 58.259422 18 58.919605 18 59.302101 19 60.006428 20 60.348324 18 60.644772 18 61.364483 18 61.977448 22 62.238049 24 63.629826 18 65.068275 20 65.166672 18 66.034927 199 66.885292 25 67.029251 636.786621 67.587975 18 68.191704 20 69.765747 22 69.957115 18 70.87561 20 71.451393 19 71.677177 20 72.008125 755 72.365433 54 72.680351 38 73.015358 18 73.477829 22 73.826752 18 74.024055 293 74.288651 23 75.913292 20 76.031441 19 76.390953 17 76.910576 30 77.14756 18 79.025764 19 79.042931 18 79.142319 18 80.037086 1641 81.044922 1656 81.542786 17 82.048096 102 82.159538 20 82.380829 17 82.891434 18 83.047302 27 83.110954 17 83.182732 18 83.80706 27 85.773735 20 86.024567 19 87.221535 21 87.836571 31 88.367447 20 90.526093 17 90.727203 21 90.980553 18 91.24688 18 91.624352 21 91.736183 33 92.149513 26 92.261078 20 92.765182 20 93.045372 10076.705078 93.162704 18 93.513016 22 93.832016 47 93.871307 29 94.027824 18 94.049301 452.205322 94.232056 18 94.465263 22 94.805855 17 96.165886 18 97.216476 26 97.31311 22 98.122307 19 99.720154 20 100.786621 23 101.076332 17 102.860191 18 104.582085 23 105.09343 37 105.65583 20 107.023537 18 107.678749 19 108.056427 1225 108.7174 20 108.785095 21 109.040169 441 109.059288 83 109.576973 19 109.966309 21 110.045197 35.180691 110.071617 2562.178711 110.170364 24 111.055893 43 111.077431 161 112.916054 18 114.295135 33 114.32415 18 114.530411 18 115.943787 18 117.627289 20 117.855438 18 118.042549 369 118.138199 18 119.024429 19 119.254631 19 123.371292 18 124.654953 34 126.213409 19 128.269135 30 129.482193 25 132.504684 33 134.275024 19 135.050446 30 135.203857 18 136.051224 1973 136.246002 21 136.708298 18 136.813278 18 137.035278 5985.223633 137.293503 18 137.761307 17 138.0392 358 138.31575 19 139.041016 21 142.735199 19 145.579132 33 146.144684 26 146.96257 46 148.199402 20 152.561493 18 153.09201 22 153.932449 24 154.061218 16695.654297 154.866043 18 155.06459 1420 155.30423 18 155.789536 17 156.033569 22 156.071472 121.947495 157.446228 17 158.04718 20 158.157013 25 160.440125 48 161.89888 22 169.841415 21 173.393036 26 174.387497 18 175.352341 18 182.229218 28 191.626984 27 191.649399 22 191.75322 17 194.486023 28 196.636993 20 198.120544 18 202.398834 21 202.793365 25 210.689804 24 212.19371 18 213.290695 20 219.287186 18 222.338913 23 223.124619 18 229.50853 34 239.039978 22 240.328003 21 241.509079 18 246.039612 18 249.143616 21 257.34967 19 258.488373 18 259.180237 30 260.233032 30.000002 266.400879 34 269.653442 17 270.450256 18 270.982758 20 271.995148 21 280.212402 36 280.549622 25 281.761108 22 281.984558 19 283.355804 19 290.545166 18 299.728668 23 300.851501 19 308.417023 21 309.137268 18 311.13324 18 315.765015 18 320.094086 18 328.893127 22 331.112762 56 332.12323 55 334.735168 22 335.992889 21 339.37854 20 342.982697 26 348.151489 18 349.150146 20 365.649445 22 393.313721 18 407.868164 21 414.453735 18 501.110199 26 502.69873 20 517.938049 18 573.029968 18 583.068054 19 600.886353 18 634.392517 20 677.453247 29.999998 697.342712 17 720.131592 36 739.153015 17 746.676392 21 753.126831 21 805.061829 25 807.265503 18 820.274414 37 838.057495 22 854.895447 25 869.038757 23 874.271545 19 887.139282 20 964.101624 20 970.142212 18 981.025391 33 996.000305 17 997.339355 18 999.326904 17 1016.088928 19 1041.184326 19 1049.303223 17 1065.272827 27 1070.343018 32 1085.592285 23 1087.192017 39 1090.211548 22 1097.738403 26 1099.145996 18 1104.31604 20 1125.128906 20 1125.8479 24 1126.566772 17 1149.665161 18 1152.630005 22 1165.231812 18 1176.355469 33 1176.494751 18 1184.984497 19 END IONS BEGIN IONS FEATURE_ID=391 FEATURELIST_FEATURE_ID=Aligned feature list peak:391 MSLEVEL=2 RTINSECONDS=453.25 PEPMASS=711.2197 CHARGE=-1 FEATURE_MS1_HEIGHT=8.833E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:3008"] SCANS=391 Num peaks=229 53.930183 20 54.566696 23 55.109474 19 55.249504 18 58.347553 22 58.836212 19 59.011471 38 59.871483 50 62.169846 20 63.782242 18 69.545151 21 71.012764 87 72.220337 18 73.028 131 73.386887 24 73.481354 22 74.034874 27 75.257393 19 76.059929 18 77.653175 18 78.376183 23 78.699738 18 81.659004 18 81.926796 20 82.355507 17 82.617653 22 83.014336 46 83.833092 31 86.113884 18 86.995659 18 87.041718 18 87.135254 18 89.027557 109 94.442863 17 94.754715 17 96.203789 43 97.029137 183.341934 98.028496 19 98.608887 18 99.047997 23 99.112938 22 99.576157 18 99.690605 18 100.091255 19 101.02475 657 101.083694 25 102.299187 29.000002 103.039185 40 104.250938 18 105.179092 37 107.933296 18 112.583466 18 113.025238 126 114.031631 30 115.037636 83 115.077408 18 115.620804 18 118.233322 22 119.037819 96 120.041382 23 121.361198 18 121.887794 17 122.59272 34 123.565926 19 125.02597 27 128.102081 20 128.918594 18 129.050369 18 132.330444 20 134.863327 24 135.141357 26 140.177628 18 141.326996 18 142.178726 18 143.034225 380 143.132629 26 143.202301 42 144.671768 17 144.717712 19 145.033997 18 145.046188 33.245556 149.045273 19 150.152283 24 154.423798 20 155.533661 18 158.285034 18 161.044983 4058 162.04628 182 163.048996 74 164.392502 22 165.873657 24 167.812561 18 167.955917 18 171.889694 18 174.041183 18 174.059753 25 177.660248 30 179.055511 1265 179.578064 18 180.057571 112 180.582275 24 181.064713 21 182.255463 18 183.468155 18 185.226624 20 186.350784 22 189.836258 18 190.132568 46 191.526733 18 193.042252 96 195.052948 39 201.036957 19 203.18718 18 209.076645 20 209.690948 18 216.022476 44 221.066544 526 222.074219 94 223.071854 22 224.547684 18 227.021439 23 228.682907 25 232.350815 47 234.272202 20 238.386475 18 251.055954 18 253.05545 18 263.077118 320 264.08374 44 264.932312 18 272.377625 18 274.269012 17 276.644073 18 278.239471 18 280.2052 31 281.08844 614 282.085663 42 282.413513 18 283.105194 18 289.074219 22 290.956512 23 291.243896 19 293.032043 35 299.159088 18 307.46283 19 309.93808 21 310.229584 17 312.424103 20 314.999542 20 317.05545 23 317.986877 27 323.096283 41 337.458923 23 341.109802 1241 341.210297 20 341.706238 18 341.756714 20 342.112366 191 344.118561 58 344.417419 18 346.429382 17 346.894928 28 365.108704 18 366.115295 19 383.121185 1422 384.123138 287 385.131866 44 387.076935 20 398.534302 20 403.684875 17 406.27124 21 411.067322 17 413.12674 29 417.906677 18 420.178833 20 425.037689 20 425.129456 909 425.967773 19 426.131866 118 436.6604 18 443.140411 277 444.140961 94 445.146454 40 452.693054 18 456.717072 18 461.744812 18 482.122467 22 483.456848 30.999998 486.161041 28 501.537354 18 503.16153 939 504.167664 229 505.160126 58 513.523193 18 524.720459 18 537.130981 18 540.070068 19 545.105957 21 545.171509 1271 546.17804 530 547.178894 116 548.198242 22 548.312866 21 548.771423 18 587.181213 459 588.183167 182 601.14563 20 605.188965 169 606.217834 57 607.197327 35 610.029419 22 629.732178 21 633.27179 18 636.612183 23 665.213867 415 666.21106 237 667.215637 37 711.219299 60 719.148315 18 841.136169 19 859.254883 53 934.496887 19 1041.064453 20 1041.524658 32 1082.188599 53 1086.251343 21 1103.072388 17 1123.207031 37 1162.18689 24 END IONS BEGIN IONS FEATURE_ID=392 FEATURELIST_FEATURE_ID=Aligned feature list peak:392 MSLEVEL=2 RTINSECONDS=453.32 PEPMASS=665.21469 FEATURE_MS1_HEIGHT=5.428E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8:2740"] SCANS=392 Num peaks=206 50.030243 50 51.183067 22 52.784275 19 52.806427 22 53.016991 18 54.824596 21 55.745277 21 57.633995 18 59.531334 28 62.128792 18 63.056263 18 63.945553 18 63.985325 20 65.080109 18 65.745712 18 65.809921 17 71.015602 17 73.029594 45 73.910652 25 74.126846 24 74.310249 29 75.589096 25 75.93351 17 76.899506 22 78.196289 19 81.035591 47 81.395348 18 82.228134 29 82.409126 18 82.619972 20 83.161644 28 83.865318 20 84.86747 18 85.048248 17 86.841705 20 87.747826 23 89.02388 37 89.386116 20 91.241982 29 93.651237 17 94.897507 22 96.510765 22 96.958305 18 97.028595 90 100.072304 18 101.023949 229 101.312294 18 105.02195 17 107.03447 23 107.996979 19 110.191849 18 113.655457 21 114.785316 25 115.043472 43 116.389023 18 117.312248 43 117.756966 19 119.034096 79 122.294769 18 123.910851 31 124.070419 22 124.824715 46 125.277596 17 126.028191 18 126.145844 36 129.675507 20 130.246368 48 131.337463 26 132.615417 18 135.471893 20 136.463882 18 137.202942 25 138.030106 26 138.922958 18 142.260223 21 143.03479 18 143.100204 22 144.516647 18 145.00032 18 145.616577 24 148.548401 20 150.677277 27 153.151581 17 160.014481 17 161.045456 547 162.051025 65 162.069733 17 162.25737 19 162.498322 27 163.16716 18 164.585388 62 166.194321 18 174.954834 17 176.167114 49 179.054504 321 179.349777 27 181.065048 34 181.579376 20 182.195358 51 190.582947 34 191.073868 20 193.03717 116 193.373734 29 193.652679 22 193.700348 18 194.392609 18 198.704422 43 201.554108 73 201.915176 18 205.040787 19 208.054214 18 208.104004 21 208.404648 18 208.801056 18 211.524048 21 213.188751 18 217.933487 18 220.896225 20 221.064575 138 222.057526 18 223.305145 18 226.392105 18 227.61499 19 237.139771 20 237.680878 18 239.046295 24 243.910843 18 247.363831 22 261.788422 33 263.078918 76 266.944031 34 267.001984 32 274.880341 18 275.069122 21 281.087708 59 281.501038 18 282.090637 40 284.591339 56 290.390503 20 292.4245 25 302.613617 21 318.264893 18 319.253723 19 323.030518 31 323.099976 18 325.188232 38 325.614319 38 329.092133 22 331.115082 27 332.113464 29 333.076416 19 335.550598 20 341.109375 265 342.106628 28 359.771332 39 367.671326 20 374.271759 20 379.991272 18 383.122162 471 384.122528 35 389.395416 18 392.691284 25 394.165497 34 412.647186 25 425.124359 53 425.828766 18 427.785919 19 435.768036 17 443.142212 58 464.984711 33 503.154907 110 504.105652 25.000002 504.165283 47 518.999878 26.999998 531.660583 19 537.604004 18 545.176086 351 546.17511 71.929062 547.165466 22 550.55957 17 587.18634 37 662.543579 24 665.203857 145 666.36731 25 667.141052 23 667.208862 20 728.236816 21 802.253052 18 813.229858 18 820.279053 17 821.297302 17 839.080261 20 878.272156 18 887.06488 19 915.098022 21 924.16571 18 1022.712524 17 1050.23645 22 1112.927002 18 1124.935181 24 1146.209351 24 1149.075806 17 1152.211548 18 1154.111328 18 1169.300293 20 1173.327881 18 END IONS BEGIN IONS FEATURE_ID=393 FEATURELIST_FEATURE_ID=Aligned feature list peak:393 MSLEVEL=2 RTINSECONDS=453.54 PEPMASS=728.2103 CHARGE=-1 FEATURE_MS1_HEIGHT=9.17E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8:2747"] SCANS=393 Num peaks=198 50.425453 20 50.957092 19 51.828644 18 53.387482 17 53.460728 22 53.651199 25 54.135872 18 55.068989 20 56.613419 18 56.796963 20 58.874111 19 61.168728 35 61.700615 22 61.987457 1030 62.681541 18 66.814751 18 67.111855 20 67.549683 19 69.59111 20 70.30555 36 70.58007 17 77.077377 18 77.369781 36 78.237289 29 78.759285 21 79.51844 24 79.562561 44 82.493362 17 87.70591 21 88.377968 18 89.051956 51 89.337837 20 95.246536 18 95.410843 29 96.395683 18 99.595978 21 101.020287 36 101.079865 19 101.36377 20 101.807205 42 102.103973 18 103.060722 19 104.581367 18 104.640762 25 105.123856 19 110.921661 20 111.420914 50 114.807968 33 115.884224 18 116.919212 19 117.49012 17 120.988083 40 121.993179 23 124.439407 17 126.481674 24 128.075684 21 128.216995 18 130.146881 24 132.122208 17 133.006668 19 133.977951 21 134.28273 18 139.676071 18 143.108627 18 144.324646 19 145.792099 26 146.961456 22 148.845032 18 149.041824 18 149.558395 20 151.143066 18 152.605118 24 156.87706 27 161.046387 188 162.047516 38 163.261475 20 164.563507 20 164.831863 18 169.607666 22 176.196457 23 176.358963 17 176.630142 24 177.215576 22 179.059937 38 183.024185 25 183.123337 19 184.071716 19 184.913132 26 186.097763 19 186.95813 19 191.447876 30 193.033859 92 201.004578 18 205.977478 18 210.14003 18 210.43515 19 215.19957 24 221.064621 37 221.935349 19 223.286209 19 224.054138 25 224.739197 27 229.864304 20 230.168045 20 237.264481 28 239.034058 37 243.588364 18 245.544174 18 245.667923 19 252.823807 19 259.656952 18 260.091888 17 263.073914 18 269.754333 22 271.617493 19 273.637299 18 274.61969 17 277.118591 20 277.561829 17 281.049255 37 281.096161 18 282.081329 20 282.899231 18 284.98938 28 289.333496 21 292.45401 20 294.454163 36 299.475586 18 299.941284 21 314.381073 30 316.055267 26 316.574738 22 319.179504 17 324.107819 51 329.743835 22 341.101624 126 342.115479 18 348.911499 17 357.25177 22 363.998474 17 372.939087 22 373.850372 17 383.116486 88 384.126923 18 399.200348 24 401.583221 23 413.105011 22 420.707306 22 425.133453 17 426.131897 58 444.134338 45 447.997467 39 458.295105 18 462.592896 22 483.51297 31 490.029541 31 503.168579 83 504.170471 42 529.143738 52 533.429565 19 540.059143 18 545.177612 250 548.178772 18 552.274658 18 553.100952 20 562.049988 85 562.17511 27 562.393677 17 571.973022 24 577.276489 21 587.190308 59 598.112732 24 605.190979 40 611.753357 32 665.205505 20 666.223511 19 701.19342 20 708.141052 19 716.446716 18 717.362854 17 728.208679 2532.973877 728.896118 19 729.214294 724 730.218933 373 731.226685 18 744.938721 17 745.311401 18 759.053223 23 772.171143 27 816.104126 20 819.216797 25 820.261414 18 859.267639 19 1014.266602 31 1068.523438 18 1070.964966 18 1171.291626 56 1197.270752 22 END IONS BEGIN IONS FEATURE_ID=394 FEATURELIST_FEATURE_ID=Aligned feature list peak:394 MSLEVEL=2 RTINSECONDS=459.54 PEPMASS=665.21448 FEATURE_MS1_HEIGHT=5.501E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8:2438"] SCANS=394 Num peaks=115 55.253834 22 56.485302 55 61.691895 19 65.660202 68 71.013298 49 73.028618 80 80.612526 18 81.027145 20 86.099861 32 87.010399 21 89.024818 136 95.775932 26 96.157906 21 97.024345 22 101.025139 349.905701 101.12265 17 103.030563 31 105.305641 29 106.48394 20 110.148216 22 113.02459 137 114.022331 18 115.036537 18 116.332458 17 117.337173 21 119.032097 94 121.839531 18 131.029617 20 137.241104 30 140.016388 20 142.768631 22 143.034622 71 144.031799 18 145.013184 20 146.045975 18 146.160339 20 147.697952 21 148.078323 29 149.048859 42 150.05687 25 151.329071 18 154.058868 24 155.117355 21 160.296356 18 160.879456 20 161.046371 736 161.349533 18 162.052414 21 162.914917 18 166.611496 18 167.029587 18 168.602066 27 170.564072 24 173.110001 47 177.424683 23 177.819275 28 179.055969 1207 179.100571 18 180.06073 194 181.434341 43 191.017776 17 221.069397 266 222.070602 39 230.33255 22 231.325638 17 233.897415 22 234.117172 47 239.044037 22 251.070663 98 256.309021 18 256.429993 23 263.075104 35 281.092407 180 293.176361 49 315.107697 22 315.130463 21 316.140656 26 321.414246 19 323.098114 101 324.908783 27 325.111877 17 331.488556 22 336.115143 21 341.10553 453 342.11618 119 344.121002 35 347.202789 27 365.114471 74 380.669128 20 383.118134 571.730774 383.566956 18 384.127472 128 425.133698 131 426.119446 23 445.957581 20 449.658997 24 485.146729 17 493.09613 25 493.240753 22 503.160706 136 504.170837 57 539.512207 21 545.174377 425 546.174255 55 547.176941 23 548.185364 32 572.046692 18 587.17395 57 588.185669 38 589.19397 22 605.191772 22 649.284546 18 665.214539 96 666.217896 36 718.834045 22.999998 END IONS BEGIN IONS FEATURE_ID=395 FEATURELIST_FEATURE_ID=Aligned feature list peak:395 MSLEVEL=2 RTINSECONDS=460.54 PEPMASS=154.0617 FEATURE_MS1_HEIGHT=1.922E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8:2509"] SCANS=395 Num peaks=400 50.043743 25 50.583378 19 50.89534 24 51.167324 18 51.383568 20 51.958622 21 52.046791 22 52.360348 18 52.414421 20 52.492874 18 52.78083 20 53.256287 20 53.309086 22 54.298428 20 55.265411 18 56.28054 23 56.409401 20 57.912033 22 58.051048 18 58.35183 17 58.585308 25 58.614147 43 59.340229 17 59.467777 17 59.691483 20 59.761162 29 60.296951 22 60.446484 17 60.633892 18 60.826073 20 61.5751 20 61.606888 37 61.95039 23 64.003868 26 64.056892 17 64.345314 18 64.483002 17 65.276581 22 65.297951 23 65.518539 23 65.754318 22 66.032936 18 66.223991 18 66.261688 28 66.289558 20 66.929962 20 67.032104 37 67.429085 20 68.663338 18 69.079185 19 69.192383 20 69.884544 18 70.102058 20 70.398903 21 70.514481 22 70.619598 22 70.679787 18 70.724983 17 71.697945 18 71.797836 28 72.007729 183 72.613365 29 74.025269 39 75.813904 24 76.042435 20 76.120018 18 76.16465 18 76.682343 18 76.711761 20 77.486015 18 78.124115 17 78.458748 25 78.48233 17 78.656548 22 79.031372 24 80.039139 354 81.046043 312.86795 81.379547 18 81.499237 19 81.796066 18 82.355766 17 82.526749 18 82.628487 18 82.932785 18 83.05069 22 84.375908 22 85.291855 22 86.026764 20 87.139267 23 87.250587 23 87.833679 24 88.262871 17 90.103241 18 91.028183 41 91.531204 19 92.659286 17 93.045471 2030.344727 93.503227 22 93.998909 25 94.050255 122 94.316696 18 94.724014 17 95.048203 18 95.175201 18 95.225555 19 95.470871 20 95.548271 17 95.890999 20 96.165237 17 96.302689 19 96.370735 22 97.250587 24 97.456429 21 98.117882 18 98.509087 19 100.414291 18 100.437202 17 100.613609 18 100.849609 21 101.09156 19 101.361595 40 101.814346 21 101.953026 47 103.610268 20 103.649307 18 104.349037 22 106.633408 40 107.193741 34 108.058136 377.639587 108.22747 25 109.040848 195 109.72213 22 110.07177 362 110.441734 18 111.019951 38 111.079933 60 112.65332 19 114.905838 22 115.206886 18 118.042358 74 118.917923 20 119.14949 50 119.253265 24 119.437553 19 119.918724 22 120.081306 18 120.721367 26 120.95356 17 121.559235 18 121.730461 20 122.382629 29 122.639786 17 123.053696 21 123.416534 21 124.090622 27 126.413727 24 126.535751 20 127.341278 20 127.372772 20 128.290222 19 128.4776 21 129.779282 25 130.044662 20 130.307175 25 130.707291 23 131.641113 24 131.697876 23 132.363281 20 133.231888 20 133.355484 18 134.555389 18 134.679886 28 136.049576 412 136.985748 23 137.035156 1519.040161 137.153503 18 137.461472 25 137.850769 20 138.042618 103.46244 138.259613 47 138.632202 23 139.953247 23 142.32341 21 142.889267 23 145.928162 26 146.436615 28 146.712845 18 147.659073 18 147.967224 18 148.890289 28 149.626114 18 152.208359 31 152.733643 17 152.909836 20 153.472061 18 154.062012 4429.623047 154.927948 18 155.019638 18 155.063461 452 155.239273 22 155.588074 32 156.065323 55 156.084534 21 156.743195 32 156.971191 18 157.024643 48 157.071381 21 158.761353 17 160.133072 41 160.888779 21 161.084549 38 163.325012 24 163.419022 20 164.289108 32 164.732056 20 165.394226 33 167.50502 19 167.55481 20 168.263138 17 168.957932 17 169.164917 29 170.749451 25 173.104111 37 173.61412 18 174.004578 26 176.539261 20 177.213623 22 180.590912 21 180.63356 19 181.762604 20 181.973526 22 183.072311 20 183.632935 23 186.208267 17 187.155762 28 190.464539 19 190.559738 22 191.160248 23 191.276627 21 192.29039 30 193.581818 17 194.323074 18 197.860138 18 201.161606 37 203.396225 28 204.844772 23 206.425995 19 207.747162 18 208.480621 20 220.336594 20 220.681076 20 222.680847 17 224.110382 26 224.784866 22 224.868057 37 228.36293 25 229.001907 21 229.036087 21 229.176559 20 232.94165 19 235.661957 17 238.597488 18 239.041397 26 239.831299 35 240.277054 21 241.025391 18 241.321793 21 241.918457 37 242.328842 31 242.902344 26 245.029846 18 247.725021 19 248.52533 22 253.19223 31 258.08432 22 259.703827 22 261.288025 31 261.90387 18 262.477936 19 265.53067 21 265.760498 21 266.109436 29 266.165344 20 268.647247 29 272.723907 18 274.275848 17 278.572723 25 278.759979 21 279.092407 18 282.243011 44 282.539185 26 290.84314 21 291.21225 20 291.243042 30 292.060913 18 293.027435 21 294.380341 20 295.043335 22 295.775421 17 296.129944 18 297.415466 24 297.610046 22 300.110931 18 304.048218 20 310.216309 18 312.450989 18 312.989716 23 315.584503 18 321.501801 20 330.674957 20 331.11676 18 339.519653 22 340.811829 24 341.104218 25 344.634613 18 347.220398 20 349.768219 25 350.451447 25 350.845886 18 365.27298 18 366.887329 30 367.115021 22 369.202545 19 369.389587 37 370.705963 25 372.037476 23 379.213043 30 382.091583 20 386.249176 20 386.766693 22 398.845856 22 407.249939 18 410.201904 18 417.011597 20 421.401306 20 425.123871 22 439.516998 40 440.127716 18 441.772308 19 448.22525 24 469.970062 24 503.158691 18 522.347717 21 538.136841 18 543.320496 18 556.324158 18 557.308899 20 566.29071 20 576.247925 18 587.41626 18 600.208069 20 624.151123 18 629.246521 18 636.013855 22 662.333984 18 666.372559 18 677.23407 19 695.432068 17 716.341309 18 717.233337 18 717.404053 18 749.376709 20 797.048218 25 809.8526 20 834.289001 18 835.239502 19 870.315674 26 885.360962 18 917.232361 17 944.511597 26 948.441711 20 959.251648 21 979.415894 25 1027.104736 18 1029.510864 17 1032.600586 17 1035.581909 18 1053.541992 28 1060.369873 18 1061.497437 17 1067.449463 24 1073.128662 34 1090.053833 24 1098.398315 20 1107.339478 18 1109.577026 28 1120.283081 17 1128.147461 18 1130.546387 18 1135.618042 17 1141.212524 24 1146.535889 29 1148.46814 17 1152.520142 18 1163.473633 20 1164.567749 17 1183.540283 22 1191.027954 45 1191.522949 18 1191.716919 41 END IONS BEGIN IONS FEATURE_ID=396 FEATURELIST_FEATURE_ID=Aligned feature list peak:396 MSLEVEL=2 RTINSECONDS=460.94 PEPMASS=131.08221 FEATURE_MS1_HEIGHT=8.545E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8:2739"] SCANS=396 Num peaks=357 50.973087 18 51.199863 27 51.893513 30 51.96706 18 52.087635 18 52.824478 18 53.34655 21 53.388626 20 53.959522 19 53.989929 18 55.388508 21 55.61755 18 56.290833 17 56.498508 20 56.551437 18 57.206291 19 57.919807 18 58.179031 20 59.389408 20 59.494148 17 59.787758 40 60.404274 26 60.768814 36 61.140949 18 63.068237 25 63.078796 25 63.129051 18 63.873032 27 64.975494 23 65.265594 22 65.383133 22 65.494179 18 65.983803 24 66.068481 22 66.129448 18 66.248848 20 66.356125 47 67.100784 22 68.357422 21 69.526016 22 69.734177 20 69.972153 18 70.253044 26 70.392342 18 71.008842 22 71.134972 24 71.223412 18 72.660995 18 74.507172 18 75.005104 39 75.592667 24 75.930138 26 77.053604 17 77.871544 21 78.292717 29 78.70575 27 79.523445 17 80.054184 21 80.154762 20 80.292068 19 81.78495 18 82.516426 18 82.623802 30 82.649994 18 83.401405 18 83.41423 18 83.826828 20 83.929527 18 84.032295 20 84.611427 22 85.04348 24 85.553116 18 85.769867 22 86.06189 20 86.085159 27 86.362541 18 86.924797 33 87.131287 17 87.297523 24 87.806366 20 90.004753 41 90.876526 20 91.361153 23 91.932831 18 93.157974 18 93.355492 20 93.676514 20 93.974571 19 93.997787 26 94.157455 25 94.206375 20 94.742073 18 94.873474 28 95.05928 33 95.335869 18 95.777206 25 95.922348 19 96.012184 23 97.426826 18 97.733971 36 99.058586 24 99.122871 18 99.659279 23 100.451317 21 100.561577 18 101.439735 18 102.290047 25 103.001579 18 103.42524 19 104.347572 17 104.361992 17 104.515236 22 104.533821 18 105.161972 17 105.378525 17 105.660492 23 107.948433 19 108.877762 20 109.111176 24 109.402489 17 111.052231 25 112.733482 19 112.782089 29 113.482971 25 114.004272 19 114.605156 20 114.676109 20 115.002052 46 115.947968 22 116.079605 18 116.738617 29 117.012657 26 117.151779 20 117.628418 22 119.431953 17 120.731857 25 120.888481 24 121.244972 18 121.333313 21 122.710785 18 122.917534 18 123.907814 18 123.929359 50 124.062103 34 124.24382 20 125.747604 18 126.524986 24 131.081848 243 131.379639 18 131.774323 23 132.087097 22 132.260162 25 132.993454 65 133.010864 47 133.050049 89 133.427414 21 134.48465 30 135.035675 35 135.362854 18 136.297226 20 136.313263 26 139.517929 17 141.764481 19 142.459976 26 142.532318 23 142.72113 31.000002 143.7966 29 144.050964 30 144.142288 33 144.395859 17 145.531845 25 148.358963 20 150.090866 18 150.272064 18 151.462311 18 151.512283 22 154.79425 20 155.398102 30 159.644196 24 160.207718 18 161.795776 36 161.977448 37 162.7547 17 163.193649 23 164.817383 19 167.876999 18 167.985626 20 170.308914 42 171.004913 18 173.097397 49 175.593735 20 177.112808 28 177.441742 20 177.609024 24 177.985016 20 178.154922 34 178.485062 29 178.862656 26 183.352356 33 184.772949 19 185.477554 30 186.534088 21 187.195465 18 188.368637 19 188.394745 19 189.018158 29 189.997452 21 192.607422 22 195.047974 41 195.915771 20 197.953552 22 200.658234 19 204.281784 22 205.095154 17 206.349457 20 209.205627 114 210.222702 18 213.443344 18 213.560562 36 214.034775 18 216.238266 39 216.834122 18 217.041306 30 218.920502 18 220.268768 22 220.95076 29 223.929214 18 225.529266 19 235.636002 18 236.499084 23 236.662094 21 240.265228 17 243.116531 20 243.44603 17 248.864853 30 250.545898 23 251.70752 18 252.10437 18 254.252487 22 264.538757 18 268.998993 19 269.337036 18 271.340912 18 271.495453 22 272.959747 20 277.237061 20 277.597351 28 278.957214 20 282.595154 49 293.170746 21 293.914093 20 296.928925 19 299.873505 18 312.941162 20 314.129761 25 320.746948 22 321.425171 39 321.552338 17 323.102173 18 329.177704 22 329.947998 20 333.876038 19 334.262909 70 334.912964 34 336.497589 20 337.904419 19 347.204559 39 350.146149 38 350.46582 18 364.906036 20 367.583679 25 369.197632 52 373.030792 17 377.005219 33 379.021881 22 385.342407 19 400.139343 17 411.340057 18 412.087921 18 417.822937 23 418.164276 29 425.137054 18 431.117584 18 433.641846 19 450.31369 24 454.405365 17 463.537872 20 466.110077 22 468.084839 23 469.146332 22 489.951569 24 507.73526 28 520.208862 18 521.323975 72 529.834167 18 536.175293 18 538.157776 37 542.14093 18 546.508972 24 553.747742 24 578.164307 22 584.342896 18 585.322449 20 607.587646 24 612.511047 24 656.073486 18 665.213196 20 672.254578 21 676.877075 18 688.370178 27 717.41864 22 754.948669 21 756.986084 20 815.155029 19 863.325134 22 869.559082 19 890.855164 20 930.508179 18 949.307068 20 958.178528 18 988.39563 18 991.311462 17 1016.50238 18 1017.321716 18 1026.570435 18 1044.464966 18 1047.427856 17 1062.469482 18 1070.599609 18 1075.799561 18 1075.892212 18 1079.509644 18 1084.049805 24 1084.303101 20 1101.108765 28 1101.474731 21 1101.828247 23 1109.480591 26 1110.561646 20 1115.643433 22 1117.280396 25 1124.508789 25 1127.469604 18 1135.609619 19 1144.035034 22 1147.42395 19.999998 1162.599609 18 1167.998047 18 1171.039307 18 1171.481079 18 1172.498047 18 1180.828979 22 1182.582397 22 1187.99585 42 1191.101196 19 1196.487061 18 1197.757446 23 END IONS BEGIN IONS FEATURE_ID=397 FEATURELIST_FEATURE_ID=Aligned feature list peak:397 MSLEVEL=2 RTINSECONDS=461.04 PEPMASS=521.32732 FEATURE_MS1_HEIGHT=6.666E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8:2499"] SCANS=397 Num peaks=329 50.2174 21 50.811707 18 50.997589 18 51.774853 18 52.125717 34 53.274376 17 54.110497 20 54.457806 19 54.554779 37 55.652199 21 56.365566 17 56.528461 20 56.643433 63 58.270374 18 58.778717 20 59.296665 29 59.512512 18 60.887886 17 61.537647 23 61.561321 18 61.845749 27 61.988041 18 62.163612 18 62.572731 19 63.04105 23 63.224213 24 63.545895 18 64.06665 22 64.596046 35 64.73024 20 64.863876 18 65.509659 18 65.6782 19 66.277779 40 66.350105 21 66.692604 24 67.544434 20 68.254166 23 68.384003 20 68.393036 33 68.84568 17 71.476105 31 72.127892 22 72.647743 18 73.467094 20 73.77092 21 73.846306 43 73.905006 18 74.302322 22 74.420731 59 74.458267 18 74.676468 20 74.920074 20 75.889053 20 76.239647 58 76.33606 17 76.519737 18 77.538734 24 77.825653 17 78.024498 21 79.135605 29 79.435326 20 80.946671 24 81.439316 37 83.351532 18 84.151764 23 85.34243 18 86.075203 28 86.312538 17 86.764534 20 87.570732 18 88.341263 25 88.792984 21 88.995575 20 89.016701 20 89.424828 29 91.257935 17 91.731239 18 92.138077 17 92.628662 27 92.908615 24 93.249008 85 93.610481 25 93.625908 40 94.570618 22 95.524162 28 95.748077 17 96.200607 18 97.092682 17 97.30529 18 99.045151 24 100.565598 22 101.123207 43 101.363609 17 101.793861 23 102.973892 18 103.26442 18 103.847527 20 104.700386 18 105.687218 18 106.59362 18 106.928253 17 107.282692 18 107.468658 18 108.346397 21 108.98951 18 109.072533 24 109.335274 20 110.375862 18 111.563721 30 112.564102 18 112.658417 18 112.84642 27 113.024002 18 113.069885 20 113.322502 58 114.604424 21 114.837486 19 114.865829 22 115.298927 47 117.289963 18 117.699944 24 118.181862 23 120.602951 20 121.810616 35 123.413177 21 124.803215 20 124.907585 28 126.68531 29 129.665283 39 129.956909 32 131.020905 29 131.082062 818 131.665497 24 131.952469 28 132.08403 18 132.213425 18 132.353302 20 134.304016 24 138.462906 22 138.781281 21 139.282135 17 139.296692 20 139.915375 18 140.011307 18 141.298798 22 142.205551 26 142.664658 18 142.956848 20 143.06218 18 145.126663 19 146.03743 22 146.966278 36 147.158646 20 148.001511 27 148.119598 21 150.805603 20 151.47261 18 151.580902 18 154.062866 93 154.624466 19 155.698364 23 156.078613 102 156.434448 18 157.793198 30 159.0298 18 160.899857 20 161.689163 21 161.983597 18 162.920364 22 167.529099 33 169.292374 62 171.350647 17 172.997437 18 173.103851 8620.169922 173.134491 34.185314 173.525635 20 173.737381 25 173.985077 18 174.107605 782 174.266388 17 174.803177 18 175.103958 44 175.72049 21 177.173965 21 182.530411 37 184.895569 21 187.169952 17 189.465775 19 190.14975 18 196.64238 18 196.971268 30 197.651184 18 201.01503 18 205.278519 17 206.015945 33 208.844833 17 210.860397 18 213.999191 18 214.138489 25 215.567612 25 217.823868 20 220.075226 20 220.626617 19 221.12178 20 226.339386 22 227.523849 34 233.403397 20 233.728363 22 241.896423 24 243.993698 19 244.245972 25 249.946899 18 250.306763 30 251.134964 22 251.496063 22 254.198471 17 256.220154 20 258.55835 26 259.621521 48 264.482239 17 267.806183 18 267.904266 18 268.81485 20 269.666016 24 269.954559 20 270.285034 30 273.329102 20 275.136139 22 280.945557 34 290.393494 21 292.670166 18 297.782715 28 298.924774 18 302.344513 39 306.158813 22 309.119659 28 311.356598 18 319.171631 18 325.185944 26 325.849182 20 327.676117 24 328.131897 18 329.935913 17 331.0495 31 341.094391 20 343.105316 41 345.981567 18 347.044983 52 347.216217 539 348.049316 18 348.17807 20 348.216797 186 349.220947 44 358.43869 17 365.46701 20 366.112579 18 366.199768 25 370.280396 18 371.861938 18 378.784668 20 380.964691 23 381.480042 34 383.113617 18 383.179626 30 392.0159 23 403.505035 25 410.209015 18 422.567322 24 425.945282 29 430.207397 19 434.684784 28 436.76886 27 447.882019 26 462.334808 20 463.747253 22 475.168915 23 480.256104 18 491.287292 23 497.204773 18 499.631104 17 502.279663 59.271973 521.326782 162 522.305603 20 522.335022 19 524.069031 18 534.974548 18 543.767822 19 544.317078 29 544.967834 21 557.308899 20 558.323181 22 559.279907 20 560.150513 21 572.423767 36 584.324219 43 612.337891 20 619.333069 18 629.182678 20 637.628235 27 653.107178 18 677.395386 18 695.441467 38 708.309387 18 743.384033 17 766.271362 20 807.21814 26 820.266846 51 839.340454 18 840.303223 25 926.308594 32 926.443481 29 930.33313 18 933.681519 26 945.438416 18 989.966064 20 1043.674072 26 1054.524536 17 1065.841064 18 1092.020996 19 1093.475342 22 1111.868408 18 1118.00708 20 1128.421509 22 1147.506104 20 1149.205566 18 1181.388672 22 1188.587891 44 1194.569702 17 END IONS BEGIN IONS FEATURE_ID=398 FEATURELIST_FEATURE_ID=Aligned feature list peak:398 MSLEVEL=2 RTINSECONDS=461.07 PEPMASS=173.10395 FEATURE_MS1_HEIGHT=1.386E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8:2504"] SCANS=398 Num peaks=260 50.281609 18 50.449085 22 50.902603 20 50.918579 19 50.986439 30 51.959183 27 52.367378 22 53.007919 23 53.333675 24 53.530304 18 54.906765 20 55.074093 30 55.32563 18 55.927139 19 56.249435 17 57.988613 28 58.039524 21 58.416313 23 59.358662 19 61.500927 20 62.577305 35 63.531052 26 63.709389 20 64.422935 18 64.604744 22 64.774345 19 64.976082 18 65.038445 21 65.175735 20 65.464813 20 65.513275 17 65.741013 19 65.901451 22 66.011475 22 66.224419 24 67.02755 20 67.493423 18 67.611404 22 68.206833 18 68.310776 18 68.937798 18 69.163445 22 69.455528 21 69.702209 18 69.916298 22 70.283089 20 70.992546 18 71.490959 22 71.80397 26 71.831093 37 71.929703 19 72.604942 19 72.748093 20 72.895271 46 73.342094 17 73.846947 41 73.860977 18 74.661247 20 75.296928 32 77.012558 18 77.242828 17 78.504227 31 78.615028 24 79.926605 23 80.813538 27 81.047821 40 82.243103 27 85.07682 46 85.220428 20 85.370895 18 85.839699 51 86.040237 20 87.143845 20 87.239113 18 88.987289 18 89.472336 20 92.437752 20 93.461105 20 95.115639 22 95.213043 18 96.085655 17 97.030228 27 97.21978 22 99.912651 20 101.004364 18 101.265282 19 101.606697 20 102.654274 32 103.509689 18 104.215538 23 105.279747 22 105.372787 19 106.835602 20 108.054375 20 108.377434 21 108.393326 27 108.638802 17 108.763901 32 110.072868 20 110.159805 17 110.740532 18 111.778252 36 112.086014 115 113.071556 36 113.089127 27 113.320129 18 113.909271 18 114.055298 195 114.857964 18 114.99147 20 115.059715 18 116.902168 18 118.323318 17 119.941139 21 122.64418 26 123.289825 22 124.165207 30 124.634239 18 124.714394 28 124.899467 17 125.871399 26 126.36602 22 127.784409 17 128.695343 26 129.316422 19 129.388504 22 130.245499 18 130.807495 46 131.082245 13543.523438 131.186539 18 132.084702 909.820068 133.086746 116 133.773148 18 134.097839 27 134.945557 24 135.303207 20 138.009872 21 139.239273 18 139.814453 32 141.114136 18 142.637787 19 143.896362 52 144.151321 22 144.331726 18 146.332993 28 146.961594 18 147.848572 17 148.993607 26 149.282089 19 150.035019 24 150.419037 19 154.953018 18 156.077576 289 157.318771 29 158.911926 17 161.002823 18 161.026947 17 161.351273 22 163.313477 28 165.171097 18 167.410858 28 168.119568 18 170.007523 17 171.217407 27 172.603531 18 173.103668 1157 174.106461 81 174.428986 24 175.002594 29 175.038666 17 178.163177 19 180.184296 18 180.231537 18 180.90213 22 182.029312 18 183.257355 45 184.181412 23 185.745651 18 186.69194 18 188.478806 19 188.762756 26 189.739273 20 190.280991 31 191.382187 18 193.980759 20 195.781433 19 198.168915 28 199.367569 22 200.279419 18 201.289825 20 201.547684 17 208.935242 18 214.088669 18 214.109756 22 215.297394 18 215.464737 20 216.835602 19.999998 218.087036 25 218.760818 18 219.391785 22 220.38858 18 221.922562 26 222.208588 19 224.786667 19 228.097977 20 228.448227 18 231.555588 19 232.323471 29 236.098709 18 237.875015 20 238.306763 20 238.861572 24 239.008377 17 241.850983 21 245.882156 17 248.996704 28 253.070633 18 253.891724 18 263.911407 18 268.087616 20 269.064026 28 272.253784 20 274.442322 20 275.647491 17 280.632507 21 284.951782 27 286.699951 23 289.84787 27 305.769806 17 309.434204 20 312.308502 18 314.061951 17 319.976135 18 321.035858 20 322.218506 23 342.967896 25 347.199127 18 355.379303 18 369.195709 17 376.164948 22 377.00293 24 384.203522 20 387.820587 20 394.365845 36 397.659973 19 442.289642 22 468.693268 32 538.16571 29 539.899109 20 549.627869 31 563.17334 18 593.163269 22 622.205505 25.000002 783.151062 20 808.768005 18 900.46637 18 1077.421631 31 1094.387329 18 1157.122314 26 1185.965088 21 END IONS BEGIN IONS FEATURE_ID=399 FEATURELIST_FEATURE_ID=Aligned feature list peak:399 MSLEVEL=2 RTINSECONDS=469.21 PEPMASS=154.06168 FEATURE_MS1_HEIGHT=1.818E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8:2556"] SCANS=399 Num peaks=177 50.999531 17 51.749882 25 51.987343 17 53.0504 18 53.857887 20 55.142712 19 57.089321 27 58.00135 18 58.925945 19 60.116379 24 62.576408 18 63.769951 17 63.911842 18 64.360764 79 64.915321 25 64.933197 18 66.034317 75 67.027946 94 68.076736 32 68.24939 20 68.492035 25 70.517128 18 72.007545 74 72.485382 17 73.204239 19 73.502312 19 74.022308 64 76.018654 18 76.434128 28 77.767281 19 77.83757 27 77.845177 18 78.342094 27 78.694466 17 78.962646 18 80.036613 309 80.821548 18 80.897408 20 81.044884 406 81.528786 22 81.768623 23 82.044563 18 83.081696 21 83.556572 18 84.29718 19 84.761391 24 84.990707 18 86.05864 26 86.385902 20 87.229164 26 87.281853 18 92.081039 19 93.045494 2742 93.74765 18 94.046394 125.294128 94.933151 17 95.074394 19 95.109016 19 98.010635 17 101.916389 18 103.187927 22 104.066429 18 106.446609 20 107.988495 22 108.056664 341 109.041733 252 109.065018 84 109.69207 23 110.071243 625 110.393425 18 111.074471 23 111.097176 29 114.310493 26 115.650604 44 117.010742 22 117.390999 26 117.681252 22 118.039543 87 119.034622 20 119.402061 21 121.798813 19 123.925957 23 125.09964 22 127.419991 20 127.533783 32 132.924667 20 135.842789 17 136.051605 464 137.035141 1604 137.063446 59 137.263977 20 137.308487 18 138.039474 165 142.451538 18 142.594193 18 142.621735 22 142.733078 18 144.628922 18 145.063217 27 145.874451 27 147.020096 25 151.994781 31 152.617264 18 152.817566 18 153.039047 30 154.061966 5682 155.063354 454 156.070648 19 157.225204 23 158.076782 20 161.275238 20 163.986633 18 170.462723 17 171.559662 18 176.257584 21 180.123779 77 181.984467 18 182.999374 29 183.575348 21 185.40712 23 185.577087 18 191.099182 18 193.613312 18 194.040558 21 196.54808 22 205.243149 22 217.051025 18 218.469421 18 224.171829 27 226.692017 20 235.455597 21 244.409744 20 244.465866 26 252.720154 18 255.884659 21 262.626556 35 283.918365 23 290.605255 21 306.009521 24 311.695618 17 312.026611 38 327.235962 20 338.082062 19 341.576233 18 342.4487 20 362.096832 22 365.741791 22 367.666595 18 370.715851 18 374.217651 29 377.68924 22 379.007599 18 388.866669 18 412.186523 18 414.759521 24 416.922546 18 422.512238 18 492.352936 18 514.58197 20 516.056885 28 532.256714 20 586.615295 22 589.395386 18 623.362976 17 1002.718506 52 1012.981567 18 1020.650452 19 1042.282104 17 1057.311523 18 1065.158325 19 1097.992432 18 1105.625854 19 1117.086304 20 1120.288818 18 1139.493408 20 1170.236816 26 1173.463135 25 END IONS BEGIN IONS FEATURE_ID=400 FEATURELIST_FEATURE_ID=Aligned feature list peak:400 MSLEVEL=2 RTINSECONDS=469.55 PEPMASS=145.09779 CHARGE=-1 FEATURE_MS1_HEIGHT=2.91E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8:2551"] SCANS=400 Num peaks=164 51.276249 17 52.86285 18 53.628376 22 54.786827 18 54.88979 17 55.701435 36 55.810509 18 58.499752 21 59.481152 20 61.988091 25 62.263817 26 62.587391 37 63.444935 53 64.433601 22 69.550529 20 69.60981 19 70.420441 35 71.877296 20 71.975403 18 72.069565 23 73.842812 18 74.019966 21 79.705017 20 80.122017 17 80.744118 19 80.876427 23 84.04808 31 85.030067 38 85.835823 21 85.92881 18 86.792908 29 87.009552 20 87.616982 18 90.17627 20 96.621582 22 97.077248 188 98.081169 18 98.359673 17 98.464722 26 98.619705 18 99.083565 25.664328 99.093842 46.629932 99.215797 18 99.736168 18 99.809792 19 100.136368 20 101.246986 21 102.003746 18 102.057129 55 103.304123 24 106.398415 21 106.643867 28 107.05619 59 108.091042 18 109.637398 24 109.79155 21 110.125023 49 111.482819 25 111.946648 18 112.520325 28 113.733444 22 114.113487 22 115.28447 19 117.903748 18 119.89502 20 120.655571 23 120.765831 18 124.235359 24 124.921135 20 128.03508 38 128.076797 20 128.580963 19 128.64328 22 129.022903 18 138.191559 28 142.533554 27 143.180374 24 145.049469 20 145.097809 7191.700684 145.410629 19 145.463013 18 145.698212 19 146.099701 512 146.900955 18 147.025558 18 147.064545 20 147.094452 18 147.108749 28 148.319565 19 150.178116 41 155.569992 19 155.626038 34 161.998856 25 165.051712 20 166.282715 46 167.346756 22 168.889435 22 169.828812 22 172.149933 18 172.616501 43 173.301956 18 173.971085 18 178.236603 18 181.110565 18 187.159302 29 191.052414 17 192.135483 18 192.376038 20 195.053894 17 196.485397 20 198.059448 17 199.37027 19 204.885315 22 216.791992 18 219.490585 18 220.827515 18 221.146271 22 225.837296 18 226.796478 18 235.903671 18 238.388535 25 239.672836 28 244.158676 22 250.819641 39 255.01564 22 258.733185 18 267.280212 28 273.932037 18 276.347748 21 283.940918 20 296.328613 18 301.136749 18 303.40506 19 313.351135 23 324.977997 18 333.240662 39 344.020081 18 351.787842 18 353.066925 21 354.321899 18 362.643219 17 366.548859 37 389.067963 18 389.846069 27 407.756287 23 422.752869 22 429.299713 18 443.702301 18 451.332367 18 497.887207 19 574.229736 18 579.733093 39 586.236633 18 644.177551 18 697.080444 22 720.162598 18 733.101318 19 972.989746 22 1059.031128 18 1111.549805 20 1161.226074 18 1167.640991 30 1181.687622 18 1192.173706 17 END IONS BEGIN IONS FEATURE_ID=401 FEATURELIST_FEATURE_ID=Aligned feature list peak:401 MSLEVEL=2 RTINSECONDS=469.58 PEPMASS=195.05039 CHARGE=-1 FEATURE_MS1_HEIGHT=4.011E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:3119"] SCANS=401 Num peaks=266 50.113903 18 50.755795 20 51.264874 24 51.877277 18 53.098053 22 53.508305 37 53.754433 20 53.917843 18 55.018143 42 56.203205 20 56.921883 28 56.997475 43 57.03384 190 58.457867 18 59.012867 908 59.527409 36 59.688332 18 60.183731 17 61.017757 20 61.266506 18 62.998314 19 68.996765 18 69.033897 25 69.216957 17 70.036545 21 71.01342 754 71.434212 17 71.88118 37 72.015289 98 72.191315 19 72.655914 19 72.991722 163 73.012306 20 73.029602 50 73.443176 18 73.921898 17 74.025032 18 74.032608 18 75.008171 6763.745117 75.261864 20 75.772781 20 75.944748 28 75.957062 21 76.011513 73 76.062202 17 76.424988 17 76.471573 19 76.579041 21 76.740685 18 77.378036 25 78.578873 17 80.0662 25 82.812904 26 83.011482 45 83.0522 29 83.641685 17 83.969429 18 84.016121 25 84.218803 17 85.029396 1027 86.03167 73 86.23558 18 86.796188 18 87.008896 698 88.012733 37 89.023865 963 90.002739 20 90.025452 70 91.036018 18 91.63237 18 91.735893 17 92.542839 21 93.462273 31 94.532112 17 97.029022 57 97.770035 21 98.513603 25 99.008057 907 99.542671 24 100.010712 24 100.177803 18 100.290535 18 101.024391 352 101.069664 17 102.025536 45 102.811485 29 103.003456 55 103.032326 17 103.211243 27 104.009094 43 104.199562 20 106.741234 33 108.015762 20 108.668144 24 108.709068 18 108.933151 18 109.394859 18 110.44767 17 110.847771 21 111.008369 354 112.181648 19 113.025429 178 113.764137 29 114.347595 55 118.911736 18 118.923286 20 119.029411 19 119.530678 20 119.951622 19 120.379662 21 120.694832 18 121.373253 20 122.886185 18 123.005623 21 123.209129 18 129.018036 2799 129.426086 25 129.793427 37 129.957794 21 130.019974 95 131.030609 57 131.186157 18 132.312241 31 135.007797 23 136.01767 18 136.915588 17 137.664536 28 141.019958 674 141.144867 19 142.02562 51 143.417007 22 145.013123 22 145.245926 18 146.340393 21 150.064209 20 152.986679 18 154.062927 20 154.955368 23 159.028824 1338 161.032181 21 164.718155 57 165.041092 31 167.463058 25 167.747238 17 169.727295 22 172.499481 17 173.00383 18 173.108322 20 173.606613 29 173.905304 27 176.906067 21 177.038971 534 178.050064 35 178.071426 20 179.015244 20 180.99855 19 193.032928 25 193.337326 51 194.014389 20 194.078751 65 194.964752 28 195.05069 7238.964355 195.25267 18 195.675873 20 196.054581 577.628418 196.427124 21 196.847198 17 197.053177 115 201.40596 25 201.669296 20 202.143005 24 207.018784 20 208.800323 32 209.770004 35 213.09166 20 213.560577 24 220.899368 23 221.310394 23 222.899185 24 223.78421 23 225.209259 27 232.710938 39 236.14798 17 238.472031 18 239.699326 20 239.781036 38 243.964096 21 247.302414 25 253.127396 22 253.264221 18 255.037979 24 257.03598 25 257.79599 19 264.183655 20 264.28006 18 265.186157 17 267.55835 22 274.428497 18 279.011108 20 282.932098 18 285.452301 17 287.096008 21 293.689392 23 300.296082 25 303.628845 18 309.829681 18 313.181702 24 313.804382 19 317.97406 18 329.532104 19 331.198975 18 346.419617 20 346.753448 22 350.896118 18 368.331055 18 373.502258 17 374.470367 33 390.529297 18 408.779358 17 427.050812 31 438.125763 18 440.084137 17 457.291107 24 469.92981 24 475.157043 19 475.490845 18 480.694458 18 528.402039 18 532.2146 18 537.185913 19 556.193604 18 570.008667 19 593.149414 29 595.20459 18 624.182434 20 627.160645 20 641.027649 40 656.348511 20 716.130981 18 721.68103 18 769.015076 42 775.197693 17 844.484985 20 854.430969 41 870.258362 28 873.268433 22 898.868713 18 910.312256 19 958.713318 34 991.140198 22 999.390259 18 1000.304626 22 1024.334106 19 1025.401123 17 1061.365356 26 1081.203979 18 1089.669312 23 1092.218262 18 1099.197632 20 1116.245117 18 1130.254272 18 1140.824463 20 1148.539429 18 1156.165527 18 1190.17627 24 1197.049072 20 END IONS BEGIN IONS FEATURE_ID=402 FEATURELIST_FEATURE_ID=Aligned feature list peak:402 MSLEVEL=2 RTINSECONDS=469.71 PEPMASS=165.0398 FEATURE_MS1_HEIGHT=1.487E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8:3129"] SCANS=402 Num peaks=201 52.324516 18 53.29752 21 53.376369 18 53.956429 20 54.167866 23 55.760319 18 56.493183 20 56.996803 18 57.033382 37 57.504631 27 57.88324 20 58.19939 22 59.013924 178 59.101646 21 60.014553 18 60.983791 22 61.725788 23 62.895603 17 64.875992 19 65.071144 20 66.14669 23 67.016136 18 67.763298 20 68.573914 20 71.013794 138 71.542816 18 71.822006 27 72.80793 18 72.993141 84 73.029037 17 73.851692 18 75.00853 2525.899414 75.159668 19 75.480797 18 75.773811 23 76.011818 128 76.147804 25 76.261032 18 77.010864 24 77.482574 20 78.956032 132 80.64048 20 81.373985 51 83.759163 18 85.028152 41 85.078606 25 85.674217 20 87.00914 203 87.652 22 89.022964 58 90.392632 20 90.794281 17 92.728798 23 92.761215 31 94.753433 22 98.689392 20 99.008507 299.523315 99.113373 20 99.479568 22 100.015747 18 101.026047 46 102.248817 18 107.380997 18 108.296478 18 109.463867 18 110.419907 20 110.998245 22 111.008881 20 111.699928 20 117.042366 22 118.033813 34 119.002045 26 119.040398 60 120.041382 24 121.030655 17 121.057823 19 121.989189 33 122.122353 24 124.728889 18 126.954399 18 129.020432 293 130.022202 17 132.101654 33 135.026886 24 145.097717 24 146.206619 20 147.028992 390 147.922058 35 148.611313 19 156.634201 17 156.826233 20 157.322067 32 161.818237 24 164.581207 18 164.890945 24 164.96373 42 165.040192 2420.82373 165.3564 18 165.653992 18 166.042877 105 167.047363 41 168.044846 18 168.994141 17 170.449356 27 172.849625 20 176.50853 17 177.676025 19 180.721207 36 185.125931 18 187.127213 37 193.035126 45 195.043167 40 201.400085 18 212.204697 20 214.100525 18 215.511673 24 223.24794 29 228.687927 30.000002 230.713226 18 232.046448 31 234.143509 23 234.759674 31.999998 236.019577 18 237.248932 18 237.792557 18 239.067581 20 242.764282 18 245.436523 20 249.457535 20 250.802338 17 251.154343 25 252.510147 19 253.051315 41 257.691315 18 263.414551 18 265.363281 30 278.005432 22 280.022522 24 281.280396 17 287.24884 32 292.607056 18 294.114655 22 297.250275 26 299.924225 23 300.018982 30 304.296478 20 306.478394 18 309.83905 20 317.326569 21 321.971039 17 333.089294 19 333.812469 20 349.812927 24 354.718292 18 357.112427 57 357.562897 29 363.346405 17 383.535156 19 386.541107 17 389.07666 18 391.124847 18 397.140289 22 434.357086 26 493.948151 24 497.599915 19 504.144684 20 507.571411 18 528.432129 37 550.888672 17 559.63208 23 679.782898 50 833.197144 22 913.865051 18 930.494202 26 937.356201 20 952.271118 19 974.333862 17 974.990967 26 981.066833 18 988.283569 30 1001.121155 18 1010.370056 24 1012.37854 29.999998 1019.24408 45 1058.983154 22 1063.059937 18 1065.389771 18 1070.184448 19 1075.999878 23 1081.24707 20 1085.41394 18 1087.536743 20 1092.205322 25 1097.443115 17 1129.932617 24 1135.078491 18 1160.008301 18 1168.274536 18 1170.420654 18 1177.201904 17 1197.390625 18 END IONS BEGIN IONS FEATURE_ID=403 FEATURELIST_FEATURE_ID=Aligned feature list peak:403 MSLEVEL=2 RTINSECONDS=470.73 PEPMASS=171.006 FEATURE_MS1_HEIGHT=1.547E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8:2679"] SCANS=403 Num peaks=162 51.130505 19 51.996433 18 52.708344 57 52.914371 18 53.73016 19 55.302353 23 56.359879 27 58.530529 26 58.771603 24 59.722878 40 60.740715 18 62.229828 21 63.941097 23 65.864014 33 67.418816 34 67.465157 39 68.066467 42 68.387596 20 69.021942 23 71.296265 20 71.943039 34 72.388367 20 73.77459 18 76.23568 18 78.092796 17 78.930252 24 78.958458 6763.555664 78.994568 29 79.16114 18 79.557068 20 79.955612 18 80.595161 19 81.483994 20 81.516991 43 82.117645 26 82.245377 18 82.614265 28 82.772942 20 83.056618 17 83.355492 21 85.53363 23 85.553612 20 85.949463 27 85.986122 47 87.972145 17 88.47773 19 89.201118 28 90.029434 20 90.618347 20 91.303238 18 95.270226 18 95.442284 30 96.968529 730 99.254677 23 99.673981 20 101.409637 17 102.416534 34 102.504211 43 102.768539 26 103.640755 17 104.457275 23 105.612488 18 106.097336 22 109.237511 24 111.003128 40 111.676979 22 112.050591 18 113.07325 18 113.378586 17 114.065704 17 117.209183 25 117.487892 18 117.609612 20 118.851013 18 119.327995 19 119.707352 22 119.922157 29 124.16851 27 127.077499 36 129.938705 26 130.967056 20 131.082443 478 133.046082 19 134.079407 26 145.838379 17 147.639435 20 147.889999 23 148.213882 18 152.993729 60 153.899231 18 153.945312 32 153.993347 17 155.687439 18 156.072998 18 157.158508 44 157.346588 20 161.774567 23 161.828979 25 163.456619 29 164.949982 17 165.605988 19 168.178528 18 169.621796 17 171.006668 1495 171.064255 17 172.010391 63 173.007614 38 173.111404 54 174.60968 25 174.630249 20 175.304596 25 183.894348 17 188.916779 18 189.510803 18 190.48526 20 191.353073 30 193.601303 19 194.648636 20 204.981293 18 215.951355 20 217.102402 22 223.73494 18 231.746765 27 236.266953 21 244.538925 20 245.779541 18 247.980148 71.450417 248.690933 18 256.566376 19 269.618561 33 270.344452 28 272.811584 18 273.905518 20 278.616852 19 278.864746 17 283.168945 18 305.027283 18 308.43277 23 314.170135 18 319.157928 18 326.081177 73 330.854034 20 339.195099 19 343.028137 89 368.242981 18 394.070892 26 481.914581 24 484.371399 17 487.48819 20 506.142456 25 555.47052 23 558.058105 26 563.050659 19 597.435181 42 769.762695 18 798.631042 45 958.020569 18 1065.161621 20 1089.151001 22 1125.897949 20 1139.236694 17 1176.210815 20 END IONS BEGIN IONS FEATURE_ID=404 FEATURELIST_FEATURE_ID=Aligned feature list peak:404 MSLEVEL=2 RTINSECONDS=476.91 PEPMASS=171.00593 FEATURE_MS1_HEIGHT=8.11E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8:2617"] SCANS=404 Num peaks=308 51.347725 50 53.810093 17 55.465286 19 58.115295 36 58.132748 20 61.988823 20 66.688911 18 67.549942 18 69.448883 17 70.277779 18 74.371078 19 75.615379 19 76.220566 20 76.844238 17 77.351051 17 77.717171 17 77.782372 26 78.198723 17 78.468216 20 78.666405 22 78.958626 5502.100098 79.024368 18 79.073074 17 79.972328 18 80.284286 18 80.962975 40 81.212326 26 81.935097 25 83.012039 20 83.051994 20 83.931076 165 83.951477 22 84.962242 20 85.029816 62 85.062859 22 85.948486 183 86.748978 18 86.955093 22 86.977371 72 88.038231 19 88.399376 47 88.95314 18 89.1716 30 89.366142 18 90.56324 20 91.177521 28 93.034431 20 93.068291 20 95.608437 18 96.96946 637.621704 97.931252 18 98.952499 20 99.926781 420 99.996399 20 100.056534 20 100.928703 22 100.941177 33 101.926224 20 101.941261 18 101.98188 19 102.025826 20 103.229538 19 106.419052 34 108.022896 28 108.892052 19 110.437141 20 112.87529 18 114.3349 18 114.415871 23 116.126183 18 118.959862 17 119.501831 17 119.755135 18 120.365753 20 120.425507 18 120.848495 32 121.622276 18 122.138512 23 124.1856 18 125.405472 18 125.499496 21 126.993416 23 127.076797 73 127.092461 20 127.918747 49 127.952629 18 128.048874 18 128.074951 23 128.601028 17 128.834854 20 128.878464 23 129.687531 18 129.875992 18 129.937759 52 130.11264 18 130.968369 85 131.081329 357 131.219955 41 131.972092 19 132.080978 40 134.85463 21 135.4888 26 135.604767 17 136.021088 18 136.111664 20 136.93602 98 137.404526 26 137.974991 18 138.030106 20 139.895828 51 139.956985 19 141.522324 28 144.031204 22 144.466049 21 144.760818 17 145.017578 18 145.447906 17 146.76329 27 146.808838 18 146.963303 17 149.388901 24 152.998093 18 154.102142 19 154.946579 57 160.278397 18 160.732132 49 161.039001 22 163.250671 27 164.370605 31 164.742279 19 164.882797 17 167.73616 18 169.955734 18 170.626007 20 170.961578 22 171.0056 860.554382 171.062546 44 171.099594 20 171.137238 20 171.911316 55 172.010239 17 172.924698 28 173.011032 18 173.057373 18 173.085434 32 174.224182 22 174.866959 47 177.501617 61 177.763916 34 179.472122 17 180.342194 19 180.570297 20 181.194687 25 182.260925 17 182.313568 34 183.014206 30 183.849258 20 186.075806 24 189.236679 23 195.048508 26 199.986649 21 203.92186 23 204.576721 18 205.034637 18 209.373459 26 211.406799 19 216.168243 25 216.602707 26 222.2724 26 222.317383 18 227.869431 18 228.174881 20 229.370148 19 229.928329 18 231.076508 20 232.114563 24 234.136032 19 234.684814 17 234.827759 20 237.638733 17 244.655289 18 244.83139 18 245.241913 20 246.047668 19 250.497955 35 253.250854 22 254.293869 22 258.595276 21 259.099518 17 259.921722 17 260.685394 18 262.09726 26 264.829895 18 269.364166 28 273.181793 18 273.69165 21 276.985565 22 280.027924 20 280.857269 19 281.540894 17 283.692261 24 285.35202 17 287.664032 17 287.852173 20 288.928284 18 289.365295 30 290.18927 18 291.713745 20 292.241394 18 294.57309 18 295.6586 18 299.056702 18 299.122681 18 307.405914 18 310.341827 28 310.914612 21 311.248016 32 313.81842 24 316.042542 29.000002 318.599274 18 325.011139 17 330.044281 19 330.985199 19 332.256622 18 334.06662 20 336.430603 21 337.129974 17 339.12381 17 342.470062 24 347.201904 34 349.599213 20 351.659058 17 357.96283 20 364.569885 28 366.426239 19 367.513855 20 369.18515 18 371.436676 19 380.912079 22 381.652466 18 390.998535 21 395.457458 18 404.491394 19 404.520752 33 405.250458 18 407.121826 18 412.243164 18 417.715149 18 429.390625 24 431.020996 18 433.749207 23 438.749481 17 441.132294 35 450.292999 18 459.702942 20 463.684601 18 474.321899 25 480.009094 18 481.197571 18 482.967285 18 491.575623 22 492.499146 20 497.07254 18 504.592346 30 511.551575 17 515.49762 22 515.869507 24 523.327515 22 524.05249 18 528.172424 18 537.649292 22 540.739075 24 547.606079 17 564.653259 28 567.111755 22 567.707214 17 569.464661 18 589.533325 22 606.761597 20 609.315674 18 617.024963 22 637.454529 19 642.566772 18 665.011292 28 668.673401 18 676.8396 19 688.064697 25 690.810913 20 724.010925 22 727.753601 17 731.258789 38 736.288086 21 743.443848 25 783.759338 19 829.598694 18 851.900024 18 852.545044 29 859.00531 18 881.374634 18 903.847534 18 927.949036 20 930.181946 18 930.955322 18 941.862549 17 968.550659 19 1020.317383 26 1036.04834 33 1057.153564 17 END IONS BEGIN IONS FEATURE_ID=405 FEATURELIST_FEATURE_ID=Aligned feature list peak:405 MSLEVEL=2 RTINSECONDS=478.85 PEPMASS=154.06167 FEATURE_MS1_HEIGHT=9.088E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8:2688"] SCANS=405 Num peaks=167 51.948902 17 52.905464 18 53.455856 20 54.830734 25 55.618431 18 56.679996 24 57.762695 18 59.834671 20 62.378639 18 62.716946 18 63.315582 18 67.028519 107 67.042648 18 67.79718 18 68.413025 21 70.724091 37 71.039925 20 72.010201 152 72.366882 22 73.011467 18 73.914421 20 74.022758 71 74.766037 17 75.4804 27 77.048897 20 77.897896 23 78.429016 22 80.037865 239 81.045074 127 81.355125 17 81.445816 22 82.04512 53 83.155739 21 86.04348 21 86.102249 18 86.48085 28 87.201233 20 87.961716 17 88.875374 17 92.045364 18 93.045433 1138.904541 93.358177 19 93.487648 17 94.046402 75 94.205826 25 94.278915 20 94.956764 36 96.643478 20 97.281303 18 97.68103 18 98.192101 19 98.718811 17 100.33786 27 100.43824 25 101.538864 18 102.52948 26 103.348892 18 104.352547 18 107.578629 18 107.61718 31 108.059891 244 109.042915 128.157349 109.060379 48 110.072937 521 111.872658 22 112.630821 29 113.175858 19 113.369736 24 113.971298 20 116.669518 18 122.613754 18 125.975418 17 127.099228 19 129.370499 20 131.380264 20 131.982254 18 132.424484 21 136.049698 164 137.011902 18 137.035797 943 138.036346 55 139.040573 17 139.470276 37 140.021942 20 150.461975 17 152.519897 30 153.029099 17 154.062286 2497.75293 154.564743 18 155.065491 278 156.068909 51 158.705612 29 159.374435 19 159.879257 18 161.160507 26 165.982422 17 167.140991 27 168.949753 20 171.009064 22 172.962204 17 175.011841 18 175.882309 22 179.179092 32 180.711426 20 183.672104 20 193.108124 18 194.401718 20 196.426849 17 199.925934 18 201.914307 20 204.407074 18 206.303711 18 207.440704 18 208.457245 19 211.993317 18 212.407364 18 217.831573 17 218.890167 22 222.790176 23 225.120285 18 225.450729 18 229.888092 19 231.820969 20 234.20932 36 237.379059 18 239.900635 27 242.311615 17 248.002563 22 248.973907 20 250.461945 29 251.149719 31 255.358658 18 257.879578 23 261.201935 18 267.103271 19 270.790649 22 271.787354 20 273.685883 17 282.16037 17 291.391876 18 292.298126 19 303.881317 20 323.74176 17 330.97049 21 334.11676 21 342.811798 18 357.657654 17 365.644104 23 400.224426 26 404.609222 24 437.4953 36 472.914215 18 485.915741 18 496.642731 19 516.051392 24 549.78949 19 565.262817 18 601.722229 22 658.7724 22 784.362854 18 1008.053406 20 1017.011169 31 1096.218872 18 1108.343262 20 1108.682373 22 1121.154785 18 1150.697876 30 END IONS BEGIN IONS FEATURE_ID=406 FEATURELIST_FEATURE_ID=Aligned feature list peak:406 MSLEVEL=2 RTINSECONDS=478.93 PEPMASS=195.05045 FEATURE_MS1_HEIGHT=7.031E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8:2858"] SCANS=406 Num peaks=248 51.514931 18 53.088264 18 55.211231 63 56.996304 26 57.00967 17 58.63512 18 59.013817 196 59.763935 40 60.276703 17 60.469482 18 62.095116 30 62.49873 20 62.725254 17 64.409401 42 67.13913 32 67.270103 18 67.830132 25 68.834099 23 70.258263 20 71.013741 112 71.818817 17 72.012703 17 72.24601 17 72.991829 78 73.015556 18 73.59594 25 73.691566 18 74.630768 20 75.007805 869.27533 75.951775 27 76.010284 43 77.013176 21 78.157486 18 78.957726 54 80.183357 18 82.31424 62 83.381355 17 85.009529 17 85.029457 186 85.322006 21 86.029007 55 86.754883 20 87.008041 129 87.045265 26 87.610191 37 87.75898 22 88.719368 19 88.887596 20 89.021667 86 90.299622 21 92.02977 24 93.042244 23 93.182121 29 96.071091 24 96.776146 18 96.964455 31 98.921265 41 99.007362 208 100.008263 21 100.640213 20 102.849052 24 103.338974 20 104.370003 17 105.007454 20 106.377548 18 107.01207 17 107.022903 22 107.898476 20 111.012901 18 112.295799 42 112.468475 20 112.864014 18 113.020706 22 114.025795 20 115.105492 29 115.554947 18 116.926933 21 117.010643 40 117.022118 37 118.515892 19 119.030991 18 123.084305 19 123.150375 37 124.624084 21 125.626091 27 126.617081 29 127.877747 18 128.603287 18 129.017914 414 130.015686 24 130.361847 20 132.875961 17 134.913559 35 135.007568 45 136.71254 28 137.014679 17 141.015961 74.827484 141.032272 22.978317 142.021774 38 142.217941 17 145.515945 22 146.755096 19 148.690506 20 148.718948 19 151.414352 22 152.58342 20 153.0327 21 155.379181 18 155.842514 27 156.671219 18 156.766357 46 158.432846 27 159.029892 318 159.894241 17 160.038544 45 161.172989 20 161.634979 20 161.888138 18 170.163406 47 174.809265 21 175.047943 17 176.029358 20 176.892731 37 177.034271 18 177.229752 17 177.960876 23 180.89769 18 181.280182 22 182.003647 53 183.741943 26 185.825867 18 185.881363 17 187.156845 21 195.049988 909 195.26767 18 196.055008 42 197.051376 42 197.11673 18 202.333145 17 203.367279 18 203.918655 22 207.605957 19 208.06694 23 209.224747 20 209.412292 22 210.274002 18 210.359879 18 214.883545 20 228.397537 18 240.361725 18 242.652344 17 253.055527 41 255.986725 20 257.113434 24 258.14267 40 261.965973 18 267.496521 17 269.588135 18 281.263397 21 282.732758 18 283.096619 21 287.91806 18 290.999481 21 295.062134 40 296.326538 22 298.934906 18 306.198669 18 311.164062 18 312.08429 18 312.19989 51 321.037598 17 328.175079 18 334.584839 22 337.39093 25 338.053528 18 338.603241 54 341.102295 18 352.176086 18 355.345276 26 355.906403 20 364.323883 18 371.966278 38 373.129242 18 382.161377 18 392.33432 18 410.99176 48 418.863708 30 423.371277 25 423.899536 25 429.741058 17 458.822144 25 462.948853 20 469.969421 20 483.750793 18 484.190674 24 510.121063 19 512.750488 26 539.782471 20 540.919983 20 575.826599 18 610.092407 26 700.294678 30 701.194702 22 736.148926 18 743.919678 20 768.249084 18 775.221863 18 782.07428 24 784.61908 25 827.266052 26 833.131348 21 856.128723 20 858.122437 17 867.040649 22 894.013428 18 909.516113 17 929.396545 22 956.667908 23 964.233887 23 974.376038 18 980.057312 17 993.452332 20 1003.153809 20 1006.233948 22 1006.331421 19 1034.633545 19 1040.515869 18 1045.377319 17 1047.346802 19 1048.447388 36 1056.331665 23 1077.273315 18 1086.598755 18 1098.251099 33 1101.089722 18 1101.225586 18 1110.122437 18 1117.813843 18 1119.150757 18 1119.394287 32 1135.422363 18 1137.008057 20 1152.197266 18 1158.546631 24 1169.017334 17 1173.462769 17 1174.765015 19 1181.245728 18 END IONS BEGIN IONS FEATURE_ID=407 FEATURELIST_FEATURE_ID=Aligned feature list peak:407 MSLEVEL=2 RTINSECONDS=479.04 PEPMASS=131.0821 FEATURE_MS1_HEIGHT=1.06E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8:2691"] SCANS=407 Num peaks=159 50.124912 18 50.701008 35 51.895615 19 52.991096 18 53.358002 20 54.036148 24 54.3088 18 54.497738 18 56.026466 23 56.120396 21 60.36924 17 62.772335 27 63.277031 18 66.089828 21 66.651466 19 69.301941 32 70.001923 18 71.014366 152 71.665771 23 72.994164 18 73.294266 27 76.403854 22 78.816528 34 78.911484 18 82.031052 20 83.062416 80 83.824913 17 85.075783 40 86.515686 23 88.040039 23 90.498016 22 90.544418 22 92.400185 20 93.787041 19 95.059753 25 95.076378 26 98.111382 20 99.918381 19 102.992226 18 107.086349 20 107.306786 27 107.764259 18 109.188881 32 110.396019 24 110.6455 18 111.309891 37 111.752762 18 112.06794 20 112.27282 20 113.069931 20 114.056107 18 115.005653 38 115.532761 19 115.919914 21 116.325432 23 116.633301 22 116.8358 25 117.10022 24 117.804985 37 118.106743 18 121.088356 18 123.628807 20 126.893929 20 129.18309 47 130.622284 20 131.035339 25 131.082382 2888.44458 131.482742 19 132.029572 23 132.083923 226 133.012024 107 133.054169 96 135.936295 27 140.461761 18 141.038193 20 141.961868 20 142.135025 23 147.931 18 149.209702 18 150.30307 18 152.317947 28 153.63385 19 157.370941 21 161.062042 26 163.164642 17 165.848953 18 168.001938 32 168.916336 17 169.214142 21 170.974533 20 171.004135 77 172.011627 22 177.736771 18 182.38623 20 182.75029 35 184.590012 21 185.039505 22 185.468231 17 188.835831 18 194.674576 24 197.265442 18 201.435349 27 206.981903 18 209.593628 21 211.338959 17 215.166367 18 220.379944 24 222.799103 21 227.398544 18 228.531998 21 229.970062 18 236.953812 19 238.179016 25 240.276947 26 242.977493 24 245.809097 33 248.212921 24 252.698029 18 258.476929 59 262.578094 17 264.959961 24 271.661804 18 274.060089 19 277.642639 24 283.10144 35 291.008667 18 293.141388 19 294.999359 31.000002 296.522339 18 296.968231 25 298.206879 17 305.771393 18 305.90094 20 311.591614 24 328.664337 45 333.538452 21 346.809021 19 347.807648 22 348.35144 18 353.841461 18 354.667877 23 384.481354 31 395.349365 18 407.40033 19 452.162598 18 478.367462 18 498.614105 23 510.061554 20 513.527954 19 558.298706 24 600.971619 18 634.971436 26 863.731628 18 924.206238 30 1093.512573 18 1095.419678 18 1097.786133 18 1104.237793 17 1134.149048 18 END IONS BEGIN IONS FEATURE_ID=408 FEATURELIST_FEATURE_ID=Aligned feature list peak:408 MSLEVEL=2 RTINSECONDS=492.45 PEPMASS=333.05874 CHARGE=-1 FEATURE_MS1_HEIGHT=1.831E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8:2759"] SCANS=408 Num peaks=201 51.254433 51 53.166153 27 55.201195 18 56.969898 19 59.364769 33 59.763687 26 59.793579 18 60.937267 24 61.013893 18 63.290482 18 65.961601 19 71.061211 24 72.066299 27 72.607422 27 77.250336 18 77.930405 19 78.958618 1934 79.580566 21 80.318825 20 80.403931 22 80.99218 20 84.338387 20 86.547188 18 86.849594 29 87.286354 23 87.675079 21 91.036148 28 94.427597 18 95.238304 19 96.51516 20 96.937157 18 96.970413 743 98.076401 17 98.401062 17 99.174049 17 99.880371 20 102.308609 25 110.518089 24 114.126602 18 115.709816 18 116.385635 17 117.018967 20 118.490585 27 122.798981 18 125.957809 18 126.52803 18 127.292038 21 131.822693 24 137.240891 19 141.471527 17 143.543198 24 145.102814 18 146.046722 22 146.968292 18 147.034149 20 147.880463 22 150.981659 62 152.098648 17 152.951813 32 152.99501 6813.050781 153.325867 27 153.689529 18 153.996597 342 154.022644 21 154.058319 61 154.996704 35 157.655945 18 158.989655 20 160.779297 22 164.240997 18 166.775131 18 167.309128 22 168.989868 17 171.006042 963 172.012344 20 172.115494 23 174.376114 18 176.37558 25 182.017639 19 183.367355 20 185.091019 42 185.349396 24 186.349838 22 188.619492 18 189.283081 25 189.96228 18 190.441696 20 193.277222 17 194.96347 19 195.201447 19 196.328171 38 196.864182 20 197.64447 18 201.007843 18 202.134048 18 207.234558 22 208.647614 20 209.457565 26 222.470383 20 222.998352 58 225.71405 20 226.108871 19 227.470428 26 228.299362 24 229.025818 20 229.92186 18 236.777542 20 237.47229 20 237.497284 23 237.588989 22 239.34227 18 240.126602 20 241.010666 4967.755859 241.052719 17 241.085403 27 241.106323 19 241.282257 33 242.016327 296 243.014069 95 243.913071 22 244.803452 20 246.997589 33 248.671371 17 249.244736 22 253.300568 43 253.393143 20 258.278809 18 258.984314 23 259.023285 390 260.026398 48 261.021332 18 271.209595 18 274.003265 18 277.32254 18 279.472321 21 288.713806 18 294.461853 42 295.846893 18 297.141632 28 299.177673 18 306.225464 19 314.175751 18 322.112518 31 322.289337 23 329.22168 18 330.167603 20 331.984009 23 332.940338 27 333.058472 10368 333.115814 18 333.691467 22 334.061646 772 334.195679 21 334.500458 18 335.062653 265 335.456238 30 336.453583 18 336.553864 17 348.86438 18 355.975464 18 362.115662 18 376.286285 18 376.507355 28 384.984833 21 395.86087 20 404.654419 21 409.514404 18 413.970795 41 414.439514 20 420.627655 18 423.312347 17 425.324799 18 430.933014 66 431.189362 20 437.981842 21 440.85144 20 442.037598 18 463.810547 18 465.715027 20 479.145569 18 481.7948 30 515.677551 31 529.791687 20 543.642822 18 543.689453 21 554.861511 17 566.078735 21 574.006042 23 592.022156 18 600.157104 18 623.161682 21 647.937195 17 917.849915 20 986.282471 44 1054.238281 30 1111.334106 18 1134.641479 28 1137.070923 24 1137.616821 21 1184.307373 18 1189.331421 18 END IONS BEGIN IONS FEATURE_ID=409 FEATURELIST_FEATURE_ID=Aligned feature list peak:409 MSLEVEL=2 RTINSECONDS=590.49 PEPMASS=158.97798 FEATURE_MS1_HEIGHT=6.534E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8:3462"] SCANS=409 Num peaks=157 50.819969 18 53.272301 22 53.82127 38 55.111958 18 55.204769 28 57.293423 19 59.282291 19 61.34544 18 64.078842 17 65.80323 23 67.759895 21 69.713936 22 69.977348 17 70.961334 29 70.998405 1117 71.27494 22 71.761963 25 72.000198 207 72.772987 21 72.995094 145 73.728096 22 74.497223 19 74.826553 17 76.448929 17 76.851212 20 76.923561 20 77.148827 19 77.898651 18 78.734329 17 80.00309 20 80.195282 18 80.61834 18 81.30735 21 83.238228 21 84.639374 19 85.063896 17 86.993477 124 88.177963 18 91.831589 18 93.800491 40 93.836052 26 95.242996 18 95.724197 20 95.788383 31 96.022125 26 96.69381 22 96.814255 32 99.191307 22 102.53537 19 102.987305 18 103.746056 22 104.929581 25 105.624359 35 106.514549 18 107.226768 23 107.934662 17 110.161995 17 112.818413 24 113.096741 22 113.562927 22 114.362251 21 114.988441 2304 115.396492 34 115.965927 18 115.989517 569 116.704178 37 116.985909 459 117.046638 17 118.994781 21 119.667366 19 120.075233 18 120.340775 52 121.537506 26 122.555519 23 122.583977 33 128.539825 19 130.894272 33 130.978912 129 131.318039 18 131.981598 20 132.092636 18 132.300552 20 136.748276 22 137.385239 22 138.909836 20 140.805878 21 143.414764 18 143.890671 18 143.926544 21 144.130798 21 151.92778 20 153.944336 17 154.187973 19 155.261597 20 156.51236 18 157.177826 22 158.7043 25 158.803864 20 158.887939 19 158.980469 183 159.896072 18 159.953674 20 159.968903 19 160.895874 24 160.974762 46 161.026642 18 161.079132 22 161.895752 38 163.188858 29 163.306824 30 170.73674 17 172.166733 35 172.588913 18 177.967255 20 188.267639 31 192.455917 19 194.323593 18 200.505096 18 202.181015 55 203.447495 18 214.763779 18 219.660446 20 222.235077 18 222.838287 20 223.199158 20 223.661545 22 235.00061 34 235.364975 28 239.022614 33 240.565399 47 243.973419 26 245.306656 27 272.960449 18 273.964966 64 274.956268 28 279.805939 21 289.950562 38 290.952271 20 301.191895 18 315.050903 19.000002 328.547852 23 339.412109 21 405.183014 30 405.920349 19 424.229645 21 439.372833 24 451.810944 19 452.360382 25 501.521454 29 554.236633 39 556.883667 17 575.832458 22 716.133423 32 1009.986755 17 1011.763184 20 1105.780518 20 1192.858765 18 END IONS BEGIN IONS FEATURE_ID=410 FEATURELIST_FEATURE_ID=Aligned feature list peak:410 MSLEVEL=2 RTINSECONDS=590.49 PEPMASS=289.94838 FEATURE_MS1_HEIGHT=5.434E4 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8:3456"] SCANS=410 Num peaks=173 50.028175 17 51.154293 18 51.777588 18 52.735607 21 53.302071 19 55.591499 20 57.187042 27 59.170292 20 59.33889 27 59.806931 43 60.78561 28 61.866299 28 61.987263 994 62.669952 18 63.216595 17 63.794376 22 65.758217 21 66.917206 18 68.770264 20 70.994888 40 71.075645 20 72.128464 30 72.820763 18 72.978783 20 73.483414 22 77.579941 21 78.878433 17 79.028175 21 83.253326 80 87.98954 39 88.931496 26 89.984726 18 90.127876 19 91.142761 17 91.853539 19 92.375679 26 97.787933 23 98.176086 24 100.872345 26 101.455696 36 101.949722 25 103.572006 22 106.209068 20 106.943703 18 111.023621 48 111.203186 19 113.286766 29 114.276306 19 114.988998 120 115.335693 27 115.533638 23 115.989754 36 116.981926 19 121.301277 18 122.11335 25 122.900391 28 127.954147 17 131.977844 1885.752808 132.086624 18 132.287521 25 132.323624 17 132.981461 370 133.227127 18 133.974991 317 134.901459 18 134.916672 18 135.911148 17 139.712814 19 142.693481 23 146.941544 19 147.970566 27 148.632782 20 149.905228 19 155.944763 18 158.213409 18 158.976913 84 159.534149 22 159.979584 22 160.067123 28 160.970642 21.340969 160.982132 54.727551 164.39566 18 164.71257 29 164.897141 20 172.711945 19 174.915161 19 174.947495 38.657082 174.964783 18 175.079025 18 175.172226 26 175.96814 3969 176.97049 753 177.199295 22 177.439301 17 177.966339 768 178.452728 47 178.907669 18 178.980392 22 179.972031 21 180.929382 18 181.722626 18 182.132462 23 186.491745 36 191.856918 18 195.350327 27 195.952957 26 198.041214 18 198.905838 19 198.975098 18 199.053528 19 200.929993 25 202.013458 18 203.068314 17 204.843307 30 204.960281 18 206.969818 27 208.552979 22 214.15593 42 215.86113 33 215.953949 28 216.103653 27 217.944824 28 218.522156 30 219.883682 18 221.149384 38 225.873993 38 226.880203 31 227.68187 27 235.924789 21 236.964432 22 237.034302 41 241.800919 22 242.921295 18 245.873184 19 245.95726 19 257.535492 33 261.183594 20 264.174896 18 264.929932 32 267.801422 28 271.911346 17 272.95166 78 273.949738 20 274.957123 35 284.59137 38 289.950745 321 290.951355 79 291.943054 127 292.939514 67 293.179932 28 294.466797 24 296.40329 31 305.908417 17 309.56723 26 324.114044 17 336.410614 28 380.224213 21 393.393524 22 400.473846 20 401.478485 30 403.917664 21 502.948517 22 503.186462 20 594.77594 18 623.596008 25 668.619995 18 674.254517 28 804.437439 24 1077.933838 18 1097.080688 18 1120.764038 19 1137.268799 25 1142.509033 19 END IONS BEGIN IONS FEATURE_ID=411 FEATURELIST_FEATURE_ID=Aligned feature list peak:411 MSLEVEL=2 RTINSECONDS=590.51 PEPMASS=272.9586 CHARGE=-1 FEATURE_MS1_HEIGHT=1.103E5 SPECTYPE=SINGLE_SCAN MERGED_ACROSS_N_SAMPLES=1 COLLISION_ENERGY=[4.0] FRAGMENTATION_METHOD=HCD IONMODE=NEGATIVE FILENAME=250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML SOURCE_SCAN_USI=["mzspec:DATASET_ID_PLACEHOLDER:250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8:3553"] SCANS=411 Num peaks=226 50.234585 23 54.815861 20 57.196777 20 58.945274 27 59.118382 25 59.562508 26 60.314186 18 61.081535 22 61.454735 19 61.49403 32 61.634048 38 62.139797 18 63.491703 18 65.769958 32 65.887825 18 66.221901 24 67.447769 17 68.750809 18 68.760834 21 69.938133 58 70.280067 18 70.532684 62 70.998215 648 71.064362 24 71.119255 36 71.239548 18 71.799232 18 71.997993 38 72.995682 40 73.166908 37 74.870949 35 78.841599 20 79.637566 17 82.370079 20 82.735504 21 83.782707 21 84.238487 21 84.384056 22 84.566803 18 86.992752 55 87.991966 36 88.506264 18 89.360954 19 91.242203 18 91.291695 24 91.45253 19 93.615013 20 93.811478 17 93.898369 20 94.554497 18 96.957085 17 98.15419 19 98.345589 17 98.436302 24 98.731575 18 99.957794 23 100.365631 18 101.015266 23 101.799812 25 102.461609 37 103.97654 22 107.908401 20 109.013336 25 109.901993 58 111.347839 18 113.27375 29 113.313179 18 113.748268 18 114.475746 37 114.988708 6410 115.279747 17 115.946426 19 115.99041 572 116.208549 18 116.986221 781 117.340424 18 117.9869 66 119.405952 17 120.193253 22 120.609329 17 124.131004 23 125.523132 42 127.319679 19 127.796654 19 128.309708 20 130.984955 167 132.980011 41 134.306183 20 135.183838 24 136.658371 18 137.319427 31 137.857376 18 138.180756 31 138.970413 17 141.353165 21 141.923462 18 142.970535 21 143.967697 40 151.86467 22 152.1185 18 153.418808 18 153.889542 19 153.945618 17 154.968613 127 155.969009 117 157.397736 34 158.97876 6107 159.220535 18 159.724548 20 159.81311 18 159.979843 1162.512573 160.384247 17 160.403702 18 160.975327 767 161.397888 22 161.899185 32 161.977692 56.000004 165.227036 22 169.869858 20 170.749802 22 170.871216 31 173.969467 30 175.134109 20 180.33284 21 180.896683 24 180.979477 28 181.370621 20 182.88768 18 183.074371 25 184.871201 69 184.962524 21 185.883087 67 185.914871 39 186.919495 17 189.875153 26 192.078278 32 195.614685 19 197.880844 20 198.372925 18 198.88916 18 198.955536 78 199.891708 30 199.958282 98 200.964584 76 202.483841 20 206.978683 20 208.607864 22 211.862289 17 213.283875 22 215.382065 40 215.583099 22 216.9758 17 222.494263 18 224.626938 20 225.916672 18 226.914642 19 227.91861 18 228.971848 44 228.992172 17 229.875687 27 229.910095 25 229.96814 23 230.915924 30 230.972 22 231.144058 18 233.499527 17 237.923615 18 243.357498 26 258.018372 20 265.58255 36 268.978271 17 271.067749 18 272.959534 427.860413 273.955688 85 274.432312 26 274.898438 18 274.958618 123 275.957397 37 290.957031 28 292.93988 20 293.6539 23 297.393921 20 307.940216 18 320.896515 22 330.970337 18 342.122437 18 349.182068 19 354.232147 22 371.21814 26 386.933929 65 387.92746 20 402.912933 18 404.936127 20 414.708954 44 420.889923 20 422.611145 17 422.787537 20 427.75766 17 430.262329 32 457.019653 20 470.137207 37 471.453705 20 471.566162 22 479.96637 38 499.048737 113 572.876465 26 601.364624 18 673.808044 22 675.280579 20 684.331909 18 760.894226 23 779.563049 18 818.476196 23 885.264221 28 886.785156 18 974.905701 22 987.782715 18 1033.75 19 1058.630615 17 1060.092896 18 1131.825073 17 1132.786621 25.999998 1145.803101 18 1155.620728 18 1173.808716 18 1195.216187 20 END IONS nf_output/MMV_NEGATIVE.mgf.tsv0000644000000000000000000000000114767266356015043 0ustar rootroot nf_output/GNPS-EMBL-MCF.mgf.tsv0000644000000000000000000000000114767266356015011 0ustar rootroot nf_output/HMDB.mgf.tsv0000644000000000000000000000000114767266356013634 0ustar rootroot nf_output/metadata/0000755000000000000000000000000014767266351013400 5ustar rootrootnf_output/metadata/merged_metadata.tsv0000644000000000000000000000304514767266351017243 0ustar rootrootfilename sample_id sample_type ATTRIBUTE_group source_taxon 250314_PMA_DDA_HILIC_cond_Neg_nr8.mzML cond_Neg BK 250314_PMA_DDA_HILIC_Sample_A1_2_Neg_nr8.mzML Sample_A1_Neg sample A Drosophila melanogaster 250314_PMA_DDA_HILIC_Sample_A2_2_Neg_nr8.mzML Sample_A2_Neg sample A Drosophila melanogaster 250314_PMA_DDA_HILIC_Sample_A3_Neg_nr8.mzML Sample_A3_Neg sample A Drosophila melanogaster 250314_PMA_DDA_HILIC_Sample_A4_Neg_nr8.mzML Sample_A4_Neg sample A Drosophila melanogaster 250314_PMA_DDA_HILIC_Sample_B1_Neg_nr8.mzML Sample_B1_Neg sample B Drosophila melanogaster 250314_PMA_DDA_HILIC_Sample_B2_Neg_nr8.mzML Sample_B2_Neg sample B Drosophila melanogaster 250314_PMA_DDA_HILIC_Sample_B3_Neg_nr8.mzML Sample_B3_Neg sample B Drosophila melanogaster 250314_PMA_DDA_HILIC_Sample_B4_Neg_nr8.mzML Sample_B4_Neg sample B Drosophila melanogaster 250314_PMA_DDA_HILIC_Sample_C1_Neg_nr8.mzML Sample_C1_Neg sample C Drosophila melanogaster 250314_PMA_DDA_HILIC_Sample_C2_Neg_nr8.mzML Sample_C2_Neg sample C Drosophila melanogaster 250314_PMA_DDA_HILIC_Sample_C3_Neg_nr8.mzML Sample_C3_Neg sample C Drosophila melanogaster 250314_PMA_DDA_HILIC_Sample_C4_Neg_nr8.mzML Sample_C4_Neg sample C Drosophila melanogaster 250314_PMA_DDA_HILIC_Sample_D1_Neg_nr8.mzML Sample_D1_Neg sample D Drosophila melanogaster 250314_PMA_DDA_HILIC_Sample_D2_Neg_nr8.mzML Sample_D2_Neg sample D Drosophila melanogaster 250314_PMA_DDA_HILIC_Sample_D3_Neg_nr8.mzML Sample_D3_Neg sample D Drosophila melanogaster 250314_PMA_DDA_HILIC_Sample_D4_Neg_nr8.mzML Sample_D4_Neg sample D Drosophila melanogaster nf_output/GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE.mgf.tsv0000644000000000000000000000000114767266351022130 0ustar rootroot nf_output/GNPS-SELLECKCHEM-FDA-PART2.mgf.tsv0000644000000000000000000000000114767266356016624 0ustar rootroot nf_output/BILELIB19.mgf.tsv0000644000000000000000000000000114767266356014336 0ustar rootroot nf_output/IQAMDB.mgf.tsv0000644000000000000000000000000114767266356014057 0ustar rootroot nf_output/MMV_POSITIVE.mgf.tsv0000644000000000000000000000000114767266356015103 0ustar rootroot nf_output/ELIXDB-LICHEN-DATABASE.mgf.tsv0000644000000000000000000000000114767266356016173 0ustar rootroot nf_output/GNPS-SCIEX-LIBRARY.mgf.tsv0000644000000000000000000000000114767266356015644 0ustar rootroot nf_output/GNPS-NIH-CLINICALCOLLECTION1.mgf.tsv0000644000000000000000000000000114767266356017116 0ustar rootroot nf_output/GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE.mgf.tsv0000644000000000000000000000000114767266363022173 0ustar rootroot nf_output/library/0000755000000000000000000000000014767267013013260 5ustar rootrootnf_output/library/merged_results_with_gnps.tsv0000644000000000000000000015414514767267013021136 0ustar rootrootSpectrumID #Scan# SpectrumFile LibraryName MQScore TIC_Query RT_Query MZErrorPPM SharedPeaks MassDiff SpecMZ SpecCharge FileScanUniqueID NumberHits Compound_Name Ion_Source Instrument Compound_Source PI Data_Collector Adduct Precursor_MZ ExactMass Charge CAS_Number Pubmed_ID Smiles INCHI INCHI_AUX Library_Class IonMode Organism LibMZ UpdateWorkflowName LibraryQualityString tags molecular_formula InChIKey InChIKey-Planar superclass class subclass npclassifier_superclass npclassifier_class npclassifier_pathway library_usi CCMSLIB00012867694 341 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.97962 49608.7 0 2.68397 9 0.000915527 341.108 -1 temp/spectra_filtered.mgf341 1 sucrose ESI Orbitrap Commercial Tomas Pluskal Corinna Brungs [M-H]- 341.109 342.116 -1 N/A N/A OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1 CZMRCDWAGMRECN-UGDNZRGBSA-N 1 Negative MSNLIB-NEGATIVE 341.109 UPDATE-SINGLE-ANNOTATED-GOLD Gold C12H22O11 CZMRCDWAGMRECN-UGDNZRGBSA-N CZMRCDWAGMRECN Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides Disaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012867694 CCMSLIB00004721591 188 spectra_filtered.mgf MONA.mgf 0.96804 18057.6 0 4.76118 6 0.000747681 157.036 0 temp/spectra_filtered.mgf188 1 ALLANTOIN N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF028010 [M-H]- 157.037 0.0 1 N/A N/A N=C(O)NC1N=C(O)N=C1O InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11) N/A 3 negative MONA 157.037 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C4H6N4O3 POJWUDADGALRAB-UHFFFAOYSA-N POJWUDADGALRAB Organoheterocyclic compounds Azoles Imidazoles mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004721591 CCMSLIB00000578104 168 spectra_filtered.mgf GNPS-EMBL-MCF.mgf 0.960918 76763.0 0 0.457067 7 0.00012207 267.073 -1 temp/spectra_filtered.mgf168 1 INOSINE LC-ESI Q-Exactive Plus Commercial standard Alexandrov Theodore Prasad M-H 267.073 268.081 0 58-63-9 6021 C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)CO)O)O InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18) N/A 1 Negative GNPS-EMBL-MCF 267.073 UPDATE-SINGLE-ANNOTATED-GOLD Gold C10H12N4O5 UGQMRVRMYYASKQ-UHFFFAOYSA-N UGQMRVRMYYASKQ N/A N/A N/A Nucleosides Purine nucleos(t)ides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000578104 CCMSLIB00006680006 320 spectra_filtered.mgf MONA.mgf 0.960544 8904.12 0 3.04184 10 0.0010376 341.108 -1 temp/spectra_filtered.mgf320 1 MALTOSE ESI Orbitrap isolated MoNA MoNA:MoNA038467 M-H 341.109 0.0 1 N/A N/A C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H](CO)O[C@H]([C@@H]([C@H]2O)O)O)O)O)O)O """InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12-/m1/s1""" N/A 3 negative MONA 341.109 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C12H22O11 GUBGYTABKSRVRQ-QUYVBRFLSA-N GUBGYTABKSRVRQ Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides Disaccharides|Polysaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006680006 CCMSLIB00003136226 41 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.958908 56054.1 0 2.46594 9 0.00183105 742.539 -1 temp/spectra_filtered.mgf41 1 Spectral Match to 1-Stearoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine from NIST14 ESI HCD Isolated Data from Charles Ansong Data deposited by alchemistmatt M-H 742.537 0.0 1 7266537 N/A N/A N/A N/A 3 Negative GNPS-NIST14-MATCHES 742.537 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00003136226 CCMSLIB00006679354 71 spectra_filtered.mgf MONA.mgf 0.956928 3042.78 0 2.52527 7 0.00038147 151.061 0 temp/spectra_filtered.mgf71 1 ARABITOL ESI Orbitrap isolated MoNA MoNA:MoNA037791 M-H 151.061 0.0 1 N/A N/A C([C@@H](C([C@H](CO)O)O)O)O """InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m0/s1""" N/A 3 negative MONA 151.061 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C5H12O5 HEBKCHPVOIAQTA-IMJSIDKUSA-N HEBKCHPVOIAQTA Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides Monosaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006679354 CCMSLIB00003137341 101 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.945453 98858.0 0 3.44123 10 0.0015564 452.277 -1 temp/spectra_filtered.mgf101 1 Spectral Match to 1-Palmitoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine from NIST14 ESI qTof Isolated Data from Kevin Bush Data deposited by fevargas M-H 452.279 453.285 1 53862354 N/A CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O InChI=1S/C21H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)27-18-20(23)19-29-30(25,26)28-17-16-22/h20,23H,2-19,22H2,1H3,(H,25,26)/t20-/m1/s1 N/A 3 Negative GNPS-NIST14-MATCHES 452.279 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C21H44NO7P YVYMBNSKXOXSKW-HXUWFJFHSA-N YVYMBNSKXOXSKW Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines Glycerophospholipids Glycerophosphoethanolamines Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00003137341 CCMSLIB00005761842 13 spectra_filtered.mgf MASSBANK.mgf 0.9449 3500.0 0 1.64456 8 0.000335693 204.124 0 temp/spectra_filtered.mgf13 1 Massbank:LU085152 Panthenol ESI Hybrid FT Isolated Massbank Massbank M-H 204.124 0.0 1 81-13-0 N/A CC(C)(CO)C(O)C(=O)NCCCO 1S/C9H19NO4/c1-9(2,6-12)7(13)8(14)10-4-3-5-11/h7,11-13H,3-6H2,1-2H3,(H,10,14) N/A 3 Negative MASSBANK 204.124 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C9H19NO4 SNPLKNRPJHDVJA-UHFFFAOYSA-N SNPLKNRPJHDVJA Lipids and lipid-like molecules Fatty Acyls Fatty amides Fatty amides N-acyl amines Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005761842 CCMSLIB00006679633 121 spectra_filtered.mgf MONA.mgf 0.944793 21410.7 0 1.9461 8 0.000473022 243.062 -1 temp/spectra_filtered.mgf121 1 URIDINE ESI Orbitrap isolated MoNA MoNA:MoNA038087 M-H 243.062 0.0 1 N/A N/A C1=CN([C@H]2[C@@H]([C@@H]([C@@H](CO)O2)O)O)C(=O)N=C1O """InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1""" N/A 3 negative MONA 243.062 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C9H12N2O6 DRTQHJPVMGBUCF-XVFCMESISA-N DRTQHJPVMGBUCF N/A N/A N/A Nucleosides Pyrimidine nucleos(t)ides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006679633 CCMSLIB00010060701 50 spectra_filtered.mgf PNNL-LIPIDS-NEGATIVE.mgf 0.942238 13224.2 0 0.0 10 0.0 688.492 -1 temp/spectra_filtered.mgf50 1 PE(16:0/16:1); [M-H]- C37H71N1O8P1 LC-ESI HCD; Velos Commercial Thomas Metz Thomas Metz M-H 688.492 0.0 1 N/A N/A N/A N/A N/A 1 Negative PNNL-LIPIDS-NEGATIVE 688.492 UPDATE-SINGLE-ANNOTATED-GOLD Gold N/A N/A N/A N/A N/A N/A N/A N/A N/A mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00010060701 CCMSLIB00010102765 190 spectra_filtered.mgf BERKELEY-LAB.mgf 0.942129 7151.98 0 1.51516 6 0.000228882 151.061 0 temp/spectra_filtered.mgf190 1 xylitol CollisionEnergy:102040 LC-ESI Orbitrap Commercial Trent Northen JGI M-H 151.061 0.0 1 N/A N/A OC[C@H](O)C(O)[C@H](O)CO """InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5?""" N/A 3 Negative BERKELEY-LAB 151.061 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C5H12O5 HEBKCHPVOIAQTA-NGQZWQHPSA-N HEBKCHPVOIAQTA Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides Monosaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00010102765 CCMSLIB00012345519 206 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.942109 128065.0 0 2.50974 11 0.000976562 389.108 -1 temp/spectra_filtered.mgf206 1 Deacetylasperulosidic acid ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M-H]- 389.109 390.116 1 N/A N/A O=C(O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=C[C@H](O)[C@H]12 InChI=1S/C16H22O11/c17-2-5-1-7(19)10-6(14(23)24)4-25-15(9(5)10)27-16-13(22)12(21)11(20)8(3-18)26-16/h1,4,7-13,15-22H,2-3H2,(H,23,24)/t7-,8+,9+,10-,11+,12-,13+,15-,16-/m0/s1 ZVXWFPTVHBWJOU-YYFGDFGFSA-N 1 Negative MSNLIB-NEGATIVE 389.109 UPDATE-SINGLE-ANNOTATED-GOLD Gold C16H22O11 ZVXWFPTVHBWJOU-YYFGDFGFSA-N ZVXWFPTVHBWJOU Lipids and lipid-like molecules Prenol lipids Terpene glycosides Monoterpenoids Iridoids monoterpenoids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012345519 CCMSLIB00006678702 192 spectra_filtered.mgf MONA.mgf 0.933697 23604.2 0 1.55309 6 0.000259399 167.021 -1 temp/spectra_filtered.mgf192 1 URIC ACID ESI Orbitrap isolated MoNA MoNA:MoNA037799 M-H 167.021 0.0 1 N/A N/A C12=C(N=C(N=C1NC(=N2)O)O)O """InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)""" N/A 3 negative MONA 167.021 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C5H4N4O3 LEHOTFFKMJEONL-UHFFFAOYSA-N LEHOTFFKMJEONL Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives Alkaloids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006678702 CCMSLIB00010102625 298 spectra_filtered.mgf BERKELEY-LAB.mgf 0.93226 53716.8 0 1.53767 12 0.000579834 377.085 -1 temp/spectra_filtered.mgf298 1 Palatinose CollisionEnergy:102040 LC-ESI Orbitrap Commercial Trent Northen JGI M+Cl 377.086 0.0 1 N/A N/A OC[C@H]1O[C@H](OC[C@H]2OC(O)(CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O """InChI=1S/C12H22O11/c13-1-4-6(15)8(17)9(18)11(22-4)21-2-5-7(16)10(19)12(20,3-14)23-5/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11+,12?/m1/s1""" N/A 3 Negative BERKELEY-LAB 377.086 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C12H22O11 PVXPPJIGRGXGCY-TZLCEDOOSA-N PVXPPJIGRGXGCY Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides Disaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00010102625 CCMSLIB00012416270 128 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.929676 116009.0 0 2.47754 14 0.00106812 431.119 -1 temp/spectra_filtered.mgf128 1 Asperulosidic acid ESI Orbitrap Isolated Tomas Pluskal Corinna Brungs [M-H]- 431.12 432.127 1 N/A N/A CC(=O)OCC1=C[C@H](O)[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12 InChI=1S/C18H24O12/c1-6(20)27-4-7-2-9(21)12-8(16(25)26)5-28-17(11(7)12)30-18-15(24)14(23)13(22)10(3-19)29-18/h2,5,9-15,17-19,21-24H,3-4H2,1H3,(H,25,26)/t9-,10+,11+,12-,13+,14-,15+,17-,18-/m0/s1 DGDWCRWJRNMRKX-DILZHRMZSA-N 1 Negative MSNLIB-NEGATIVE 431.12 UPDATE-SINGLE-ANNOTATED-GOLD Gold C18H24O12 DGDWCRWJRNMRKX-DILZHRMZSA-N DGDWCRWJRNMRKX Lipids and lipid-like molecules Prenol lipids Terpene glycosides Monoterpenoids Iridoids monoterpenoids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012416270 CCMSLIB00010106905 38 spectra_filtered.mgf BERKELEY-LAB.mgf 0.929644 37737.7 0 0.907401 6 0.000396729 437.214 0 temp/spectra_filtered.mgf38 1 D-pantothenic acid CollisionEnergy:102040 LC-ESI Orbitrap Commercial Trent Northen JGI 2M-H 437.214 0.0 1 N/A N/A CC(C)(CO)C(O)C(O)=NCCC(=O)O """InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)""" N/A 3 Negative BERKELEY-LAB 437.214 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C9H17NO5 GHOKWGTUZJEAQD-UHFFFAOYSA-N GHOKWGTUZJEAQD Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Fatty Acids and Conjugates Branched fatty acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00010106905 CCMSLIB00010102811 218 spectra_filtered.mgf BERKELEY-LAB.mgf 0.928495 17617.8 0 3.45504 6 0.00062561 181.071 -1 temp/spectra_filtered.mgf218 1 D-Sorbitol CollisionEnergy:102040 LC-ESI Orbitrap Commercial Trent Northen JGI M-H 181.072 0.0 1 N/A N/A OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO """InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1""" N/A 3 Negative BERKELEY-LAB 181.072 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C6H14O6 FBPFZTCFMRRESA-JGWLITMVSA-N FBPFZTCFMRRESA Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides Monosaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00010102811 CCMSLIB00006112639 222 spectra_filtered.mgf BIRMINGHAM-UHPLC-MS-NEG.mgf 0.927363 35483.4 0 4.04492 7 0.000732422 181.071 -1 temp/spectra_filtered.mgf222 1 Sorbitol - 40.0 eV ESI Orbitrap Isolated PI Data Collector M-H 181.072 0.0 1 N/A C([C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O)O InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1 N/A 1 Negative BIRMINGHAM-UHPLC-MS-NEG 181.072 UPDATE-SINGLE-ANNOTATED-GOLD Gold C6H14O6 FBPFZTCFMRRESA-JGWLITMVSA-N FBPFZTCFMRRESA Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides Monosaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006112639 CCMSLIB00010059880 88 spectra_filtered.mgf PNNL-LIPIDS-NEGATIVE.mgf 0.924522 21076.0 0 0.765662 6 0.000366211 478.293 -1 temp/spectra_filtered.mgf88 1 PE(18:1/0:0); [M-H]- C23H45N1O7P1 LC-ESI CID; Velos Commercial Thomas Metz Thomas Metz M-H 478.293 0.0 1 N/A N/A N/A N/A N/A 1 Negative PNNL-LIPIDS-NEGATIVE 478.293 UPDATE-SINGLE-ANNOTATED-GOLD Gold N/A N/A N/A N/A N/A N/A N/A N/A N/A mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00010059880 CCMSLIB00012725656 357 spectra_filtered.mgf LEAFBOT.mgf 0.92207 7911.31 0 3.3997 9 0.00115967 341.108 0 temp/spectra_filtered.mgf357 1 Gentiobiose ESI Orbitrap Commercial Kellogg Josh Kellogg M-H 341.109 342.116 -1 554-91-6 20056559 C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O)O)O)O AYRXSINWFIIFAE-UDKQPYHCSA-N N/A 1 Negative LEAFBOT 341.109 UPDATE-SINGLE-ANNOTATED-GOLD Gold C12H22O11 AYRXSINWFIIFAE-UDKQPYHCSA-N AYRXSINWFIIFAE Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Saccharides Disaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012725656 CCMSLIB00010059880 97 spectra_filtered.mgf PNNL-LIPIDS-NEGATIVE.mgf 0.914195 34029.8 0 1.2123 6 0.000579834 478.294 -1 temp/spectra_filtered.mgf97 1 PE(18:1/0:0); [M-H]- C23H45N1O7P1 LC-ESI CID; Velos Commercial Thomas Metz Thomas Metz M-H 478.293 0.0 1 N/A N/A N/A N/A N/A 1 Negative PNNL-LIPIDS-NEGATIVE 478.293 UPDATE-SINGLE-ANNOTATED-GOLD Gold N/A N/A N/A N/A N/A N/A N/A N/A N/A mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00010059880 CCMSLIB00000578138 196 spectra_filtered.mgf GNPS-EMBL-MCF.mgf 0.913444 15618.9 0 1.29823 6 0.000366211 282.084 -1 temp/spectra_filtered.mgf196 1 GUANOSINE LC-ESI Q-Exactive Plus Commercial standard Alexandrov Theodore Prasad M-H 282.084 283.092 0 118-00-3 6802 C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=NC2=O)N InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19) N/A 1 Negative GNPS-EMBL-MCF 282.084 UPDATE-SINGLE-ANNOTATED-GOLD Gold C10H13N5O5 NYHBQMYGNKIUIF-UHFFFAOYSA-N NYHBQMYGNKIUIF N/A N/A N/A Nucleosides Purine nucleos(t)ides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000578138 CCMSLIB00005720953 42 spectra_filtered.mgf HCE-CELL-LYSATE-LIPIDS.mgf 0.912405 116378.0 0 1.10737 15 0.000793457 716.523 -1 temp/spectra_filtered.mgf42 1 (2-aminoethoxy)[2-(hexadecanoyloxy)-3-[octadec-11-enoyloxy]propoxy]phosphinic acid LC-ESI qTof Lysate O Laprevote C-TAC M-H 716.522 717.531 1 N/A N/A [H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC InChI=1S/C39H76NO8P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h13,15,37H,3-12,14,16-36,40H2,1-2H3,(H,43,44)/b15-13-/t37-/m1/s1 N/A 3 Negative HCE-CELL-LYSATE-LIPIDS 716.522 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C39H76NO8P BGGKMIPCFKMSNW-IEHWZJNJSA-N BGGKMIPCFKMSNW Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines Glycerophospholipids Glycerophosphoethanolamines Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005720953 CCMSLIB00006679996 228 spectra_filtered.mgf MONA.mgf 0.909021 8612.89 0 3.1313 8 0.00106812 341.108 -1 temp/spectra_filtered.mgf228 1 SUCROSE ESI Orbitrap isolated MoNA MoNA:MoNA038468 M-H 341.109 0.0 1 N/A N/A C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@]2(CO)[C@H]([C@@H]([C@@H](CO)O2)O)O)O)O)O)O """InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1""" N/A 3 negative MONA 341.109 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C12H22O11 CZMRCDWAGMRECN-UGDNZRGBSA-N CZMRCDWAGMRECN Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides Disaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006679996 CCMSLIB00004712242 14 spectra_filtered.mgf MONA.mgf 0.908799 8233.0 0 206.666 6 0.0605774 293.179 -1 temp/spectra_filtered.mgf14 1 (1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF021179 [M-H]- 293.118 0.0 1 N/A N/A COc1ccc(/C=C/C(=O)/C=C/c2ccc(OC)cc2)cc1 InChI=1S/C19H18O3/c1-21-18-11-5-15(6-12-18)3-9-17(20)10-4-16-7-13-19(22-2)14-8-16/h3-14H,1-2H3/b9-3+,10-4+ N/A 3 negative MONA 293.118 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze Diarylheptanoids[Chemical Family] C19H18O3 IOZVKDXPBWBUKY-LQIBPGRFSA-N IOZVKDXPBWBUKY Benzenoids Phenol ethers Anisoles Diarylheptanoids Linear diarylheptanoids Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004712242 CCMSLIB00012867720 342 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.905197 1408520.0 0 0.946003 14 0.000366211 387.114 -1 temp/spectra_filtered.mgf342 1 sucrose ESI Orbitrap Commercial Tomas Pluskal Corinna Brungs [M+FA]- 387.114 342.116 -1 N/A N/A OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1 CZMRCDWAGMRECN-UGDNZRGBSA-N 1 Negative MSNLIB-NEGATIVE 387.114 UPDATE-SINGLE-ANNOTATED-GOLD Gold C12H22O11 CZMRCDWAGMRECN-UGDNZRGBSA-N CZMRCDWAGMRECN Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides Disaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012867720 CCMSLIB00006112686 401 spectra_filtered.mgf BIRMINGHAM-UHPLC-MS-NEG.mgf 0.899855 17566.7 0 3.12919 8 0.000610352 195.05 -1 temp/spectra_filtered.mgf401 1 1726059 - 40.0 eV ESI Orbitrap Isolated PI Data Collector M-H 195.051 0.0 1 N/A C([C@H]([C@@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3+,4+,5-/m1/s1 N/A 1 Negative BIRMINGHAM-UHPLC-MS-NEG 195.051 UPDATE-SINGLE-ANNOTATED-GOLD Gold C6H12O7 RGHNJXZEOKUKBD-MGCNEYSASA-N RGHNJXZEOKUKBD Organic acids and derivatives Hydroxy acids and derivatives Medium-chain hydroxy acids and derivatives Saccharides Monosaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006112686 CCMSLIB00012867698 287 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.899686 152530.0 0 1.6186 11 0.000610352 377.085 -1 temp/spectra_filtered.mgf287 1 sucrose ESI Orbitrap Commercial Tomas Pluskal Corinna Brungs [M+Cl]- 377.086 342.116 -1 N/A N/A OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1 CZMRCDWAGMRECN-UGDNZRGBSA-N 1 Negative MSNLIB-NEGATIVE 377.086 UPDATE-SINGLE-ANNOTATED-GOLD Gold C12H22O11 CZMRCDWAGMRECN-UGDNZRGBSA-N CZMRCDWAGMRECN Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides Disaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012867698 CCMSLIB00005720996 10 spectra_filtered.mgf HCE-CELL-LYSATE-LIPIDS.mgf 0.897242 16726.7 0 0.456304 13 0.000366211 802.56 -1 temp/spectra_filtered.mgf10 1 (2-{[3-(hexadecanoyloxy)-2-[octadeca-9.12-dienoyloxy]propyl phosphono]oxy}ethyl)trimethylazanium LC-ESI qTof Lysate O Laprevote C-TAC M+Formate 802.56 757.562 1 17708-90-6 N/A [H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h14,16,20-21,40H,6-13,15,17-19,22-39H2,1-5H3/b16-14-,21-20-/t40-/m1/s1 N/A 3 Negative HCE-CELL-LYSATE-LIPIDS 802.56 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A JLPULHDHAOZNQI-ZTIMHPMXSA-N JLPULHDHAOZNQI Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines N/A N/A N/A mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005720996 CCMSLIB00006125235 84 spectra_filtered.mgf BIRMINGHAM-UHPLC-MS-NEG.mgf 0.891339 10755.9 0 4.01038 6 0.000778198 194.045 0 temp/spectra_filtered.mgf84 1 4-HYDROXY-BZ-GLY-OH - 40.0 eV ESI Orbitrap Isolated PI Data Collector M-H 194.046 0.0 1 N/A c1cc(ccc1C(=O)NCC(=O)O)O InChI=1S/C9H9NO4/c11-7-3-1-6(2-4-7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13) N/A 1 Negative BIRMINGHAM-UHPLC-MS-NEG 194.046 UPDATE-SINGLE-ANNOTATED-GOLD Gold C9H9NO4 ZMHLUFWWWPBTIU-UHFFFAOYSA-N ZMHLUFWWWPBTIU Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Small peptides Aminoacids Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006125235 CCMSLIB00004712256 69 spectra_filtered.mgf MONA.mgf 0.889192 7023.66 0 6.63236 7 0.00106812 161.045 0 temp/spectra_filtered.mgf69 1 Meglutol N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF021193 [M-H]- 161.046 0.0 1 N/A N/A CC(O)(CC(=O)O)CC(=O)O InChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10) N/A 3 negative MONA 161.046 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C6H10O5 NPOAOTPXWNWTSH-UHFFFAOYSA-N NPOAOTPXWNWTSH Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Fatty Acids and Conjugates Dicarboxylic acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004712256 CCMSLIB00012855566 118 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.887541 5372.98 0 3.06227 7 0.000854492 279.038 -1 temp/spectra_filtered.mgf118 1 uridine ESI Orbitrap Commercial Tomas Pluskal Corinna Brungs [M+Cl]- 279.039 244.07 -1 N/A N/A O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1 InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1 DRTQHJPVMGBUCF-XVFCMESISA-N 1 Negative MSNLIB-NEGATIVE 279.039 UPDATE-SINGLE-ANNOTATED-GOLD Gold C9H12N2O6 DRTQHJPVMGBUCF-XVFCMESISA-N DRTQHJPVMGBUCF N/A N/A N/A Nucleosides Pyrimidine nucleos(t)ides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012855566 CCMSLIB00012330171 29 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.885489 21026.5 0 3.56268 6 0.000595093 167.034 -1 temp/spectra_filtered.mgf29 1 Homogentisic acid ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M-H]- 167.035 168.042 1 N/A N/A O=C(O)Cc1c(O)ccc(O)c1 InChI=1S/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12) IGMNYECMUMZDDF-UHFFFAOYSA-N 1 Negative MSNLIB-NEGATIVE 167.035 UPDATE-SINGLE-ANNOTATED-GOLD Gold C8H8O4 IGMNYECMUMZDDF-UHFFFAOYSA-N IGMNYECMUMZDDF Benzenoids Benzene and substituted derivatives Phenylacetic acids Phenolic acids (C6-C1) Simple phenolic acids Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012330171 CCMSLIB00006123089 178 spectra_filtered.mgf BIRMINGHAM-UHPLC-MS-NEG.mgf 0.879871 14517.9 0 4.20833 7 0.000732422 174.04 -1 temp/spectra_filtered.mgf178 1 N-Acetyl-L-aspartic acid - 40.0 eV ESI Orbitrap Isolated PI Data Collector M-H 174.041 0.0 1 N/A CC(=O)N[C@@H](CC(=O)O)C(=O)O InChI=1S/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t4-/m0/s1 N/A 1 Negative BIRMINGHAM-UHPLC-MS-NEG 174.041 UPDATE-SINGLE-ANNOTATED-GOLD Gold C6H9NO5 OTCCIMWXFLJLIA-BYPYZUCNSA-N OTCCIMWXFLJLIA Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006123089 CCMSLIB00004716378 353 spectra_filtered.mgf MONA.mgf 0.878737 5543.04 0 2.49264 12 0.000762939 306.076 0 temp/spectra_filtered.mgf353 1 Glutathione N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF025315 [M-H]- 306.077 0.0 1 N/A N/A N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1 N/A 3 negative MONA 306.077 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C10H17N3O6S RWSXRVCMGQZWBV-WDSKDSINSA-N RWSXRVCMGQZWBV Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Aminoacids Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004716378 CCMSLIB00010102464 324 spectra_filtered.mgf BERKELEY-LAB.mgf 0.875448 8069.0 0 1.78046 12 0.000671387 377.085 -1 temp/spectra_filtered.mgf324 1 maltose CollisionEnergy:102040 LC-ESI Orbitrap Commercial Trent Northen JGI M+Cl 377.086 0.0 1 N/A N/A OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O """InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12-/m1/s1""" N/A 3 Negative BERKELEY-LAB 377.086 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C12H22O11 GUBGYTABKSRVRQ-QUYVBRFLSA-N GUBGYTABKSRVRQ Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides Disaccharides|Polysaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00010102464 CCMSLIB00006680111 372 spectra_filtered.mgf MONA.mgf 0.870831 9401.31 0 1.7589 14 0.00088501 503.161 -1 temp/spectra_filtered.mgf372 1 RAFFINOSE ESI Orbitrap isolated MoNA MoNA:MoNA038475 M-H 503.162 0.0 1 N/A N/A C([C@@H]1[C@@H]([C@@H]([C@H](C(OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)O[C@@]3(CO)[C@H]([C@@H]([C@@H](CO)O3)O)O)O)O)O)O1)O)O)O)O """InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16?,17?,18+/m1/s1""" N/A 3 negative MONA 503.162 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C18H32O16 MUPFEKGTMRGPLJ-BQCSWRFHSA-N MUPFEKGTMRGPLJ Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides Disaccharides|Polysaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006680111 CCMSLIB00012352668 391 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.867816 18501.3 0 0.34327 17 0.000244141 711.22 -1 temp/spectra_filtered.mgf391 1 maltotetraose ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M+FA]- 711.22 666.222 1 N/A N/A OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22-,23-,24-/m1/s1 LUEWUZLMQUOBSB-ZLBHSGTGSA-N 1 Negative MSNLIB-NEGATIVE 711.22 UPDATE-SINGLE-ANNOTATED-GOLD Gold C24H42O21 LUEWUZLMQUOBSB-ZLBHSGTGSA-N LUEWUZLMQUOBSB Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides Polysaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012352668 CCMSLIB00010081888 51 spectra_filtered.mgf PNNL-LIPIDS-NEGATIVE.mgf 0.865249 21084.0 0 0.739305 9 0.000488281 660.461 -1 temp/spectra_filtered.mgf51 1 PE(14:0/16:1); [M-H]- C35H67N1O8P1 LC-ESI CID; Velos Commercial Thomas Metz Thomas Metz M-H 660.46 0.0 1 N/A N/A N/A N/A N/A 1 Negative PNNL-LIPIDS-NEGATIVE 660.46 UPDATE-SINGLE-ANNOTATED-GOLD Gold N/A N/A N/A N/A N/A N/A N/A N/A N/A mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00010081888 CCMSLIB00012352928 361 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.86238 39641.9 0 0.889131 16 0.000488281 549.167 -1 temp/spectra_filtered.mgf361 1 maltotriose ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M+FA]- 549.167 504.169 1 N/A N/A OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16?,17-,18-/m1/s1 FYGDTMLNYKFZSV-DZOUCCHMSA-N 1 Negative MSNLIB-NEGATIVE 549.167 UPDATE-SINGLE-ANNOTATED-GOLD Gold C18H32O16 FYGDTMLNYKFZSV-DZOUCCHMSA-N FYGDTMLNYKFZSV Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides Disaccharides|Polysaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012352928 CCMSLIB00010102689 382 spectra_filtered.mgf BERKELEY-LAB.mgf 0.862345 17624.0 0 1.69824 13 0.000854492 503.161 -1 temp/spectra_filtered.mgf382 1 RAFFINOSE CollisionEnergy:102040 LC-ESI Orbitrap Commercial Trent Northen JGI M-H 503.162 0.0 1 N/A N/A OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O """InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1""" N/A 3 Negative BERKELEY-LAB 503.162 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C18H32O16 MUPFEKGTMRGPLJ-ZQSKZDJDSA-N MUPFEKGTMRGPLJ Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides Disaccharides|Polysaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00010102689 CCMSLIB00010061703 47 spectra_filtered.mgf PNNL-LIPIDS-NEGATIVE.mgf 0.860227 5125.0 0 0.868819 9 0.000610352 702.508 -1 temp/spectra_filtered.mgf47 1 PE(15:0/18:1); [M-H]- C38H73N1O8P1 LC-ESI CID; Velos Commercial Thomas Metz Thomas Metz M-H 702.507 0.0 1 N/A N/A N/A N/A N/A 1 Negative PNNL-LIPIDS-NEGATIVE 702.507 UPDATE-SINGLE-ANNOTATED-GOLD Gold N/A N/A N/A N/A N/A N/A N/A N/A N/A mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00010061703 CCMSLIB00005777689 175 spectra_filtered.mgf MASSBANK.mgf 0.860225 5369.96 0 1.00198 8 0.000610352 609.145 0 temp/spectra_filtered.mgf175 1 Massbank:FIO00597 Rutin ESI qTof Isolated Massbank Massbank M-H 609.146 0.0 1 153-18-4 N/A c(c5)(O)cc(c(c52)C(C(O[C@H](O3)[C@@H]([C@H]([C@@H]([C@H]3CO[C@@H]([C@@H]4O)O[C@H]([C@@H]([C@H]4O)O)C)O)O)O)=C(O2)c(c1)ccc(O)c1O)=O)O 1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1 N/A 3 Negative MASSBANK 609.146 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C27H30O16 IKGXIBQEEMLURG-NVPNHPEKSA-N IKGXIBQEEMLURG Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavonols Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005777689 CCMSLIB00006680006 303 spectra_filtered.mgf MONA.mgf 0.852356 4408.44 0 3.04184 9 0.0010376 341.108 -1 temp/spectra_filtered.mgf303 1 MALTOSE ESI Orbitrap isolated MoNA MoNA:MoNA038467 M-H 341.109 0.0 1 N/A N/A C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H](CO)O[C@H]([C@@H]([C@H]2O)O)O)O)O)O)O """InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12-/m1/s1""" N/A 3 negative MONA 341.109 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C12H22O11 GUBGYTABKSRVRQ-QUYVBRFLSA-N GUBGYTABKSRVRQ Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides Disaccharides|Polysaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006680006 CCMSLIB00000578260 148 spectra_filtered.mgf GNPS-EMBL-MCF.mgf 0.850355 11703.0 0 0.730256 6 0.000137329 188.056 0 temp/spectra_filtered.mgf148 1 N-ACETYL-DL-GLUTAMIC ACID LC-ESI Q-Exactive Plus Commercial standard Alexandrov Theodore Prasad M-H 188.056 189.064 0 1430871 185 O=C(N[C@H](C(=O)O)CCC(=O)O)C InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t5-/m0/s1 N/A 1 Negative GNPS-EMBL-MCF 188.056 UPDATE-SINGLE-ANNOTATED-GOLD Gold C7H11NO5 RFMMMVDNIPUKGG-YFKPBYRVSA-N RFMMMVDNIPUKGG Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000578260 CCMSLIB00010102823 358 spectra_filtered.mgf BERKELEY-LAB.mgf 0.845838 2435.0 0 2.4279 9 0.000915527 377.085 0 temp/spectra_filtered.mgf358 1 melibiose CollisionEnergy:102040 LC-ESI Orbitrap Commercial Trent Northen JGI M+Cl 377.086 0.0 1 N/A N/A OC[C@H]1O[C@H](OC[C@H]2OC(O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O """InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8+,9-,10-,11?,12+/m1/s1""" N/A 3 Negative BERKELEY-LAB 377.086 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C12H22O11 DLRVVLDZNNYCBX-ABXHMFFYSA-N DLRVVLDZNNYCBX Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides Disaccharides|Polysaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00010102823 CCMSLIB00006716221 130 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.841141 206219.0 0 49.4247 9 0.0426636 863.247 -1 temp/spectra_filtered.mgf130 1 Emodin-8-glucoside ESI qTof Commercial lyuqiang lijinlong 2M-H 863.204 432.106 -1 23313-21-5 CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O InChI=1S/C21H20O10/c1-7-2-9-14(11(24)3-7)18(27)15-10(16(9)25)4-8(23)5-12(15)30-21-20(29)19(28)17(26)13(6-22)31-21/h2-5,13,17,19-24,26,28-29H,6H2,1H3/t13-,17-,19+,20-,21-/m1/s1 N/A 1 Negative GNPS-LIBRARY 863.204 UPDATE-SINGLE-ANNOTATED-GOLD Gold C21H20O10 HSWIRQIYASIOBE-JNHRPPPUSA-N HSWIRQIYASIOBE Benzenoids Anthracenes Anthraquinones Polycyclic aromatic polyketides Anthraquinones and anthrones Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006716221 CCMSLIB00012326359 258 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.838746 11084.0 0 4.98061 6 0.000976562 196.072 0 temp/spectra_filtered.mgf258 1 N-Acetyl-L-histidine ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M-H]- 196.073 197.08 1 N/A N/A CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O InChI=1S/C8H11N3O3/c1-5(12)11-7(8(13)14)2-6-3-9-4-10-6/h3-4,7H,2H2,1H3,(H,9,10)(H,11,12)(H,13,14)/t7-/m0/s1 KBOJOGQFRVVWBH-ZETCQYMHSA-N 1 Negative MSNLIB-NEGATIVE 196.073 UPDATE-SINGLE-ANNOTATED-GOLD Gold C8H11N3O3 KBOJOGQFRVVWBH-ZETCQYMHSA-N KBOJOGQFRVVWBH Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012326359 CCMSLIB00005746897 134 spectra_filtered.mgf MASSBANK.mgf 0.836751 32402.7 0 2.22512 10 0.000946045 425.166 -1 temp/spectra_filtered.mgf134 1 Massbank:PR308942 Pentose-Hexose + C5H9 ESI qTof Isolated Massbank Massbank M+HCOO 425.165 0.0 1 N/A N/A OC2COC(OCC1OC(OCC=C(C)C)C(O)C(O)C1(O))C(O)C2(O) 1S/C16H28O10/c1-7(2)3-4-23-16-14(22)12(20)11(19)9(26-16)6-25-15-13(21)10(18)8(17)5-24-15/h3,8-22H,4-6H2,1-2H3 N/A 3 Negative MASSBANK 425.165 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C16H28O10 NYSQQJIJJJAWCE-UHFFFAOYSA-N NYSQQJIJJJAWCE Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005746897 CCMSLIB00010102464 338 spectra_filtered.mgf BERKELEY-LAB.mgf 0.833003 8252.16 0 1.78046 12 0.000671387 377.085 -1 temp/spectra_filtered.mgf338 1 maltose CollisionEnergy:102040 LC-ESI Orbitrap Commercial Trent Northen JGI M+Cl 377.086 0.0 1 N/A N/A OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O """InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12-/m1/s1""" N/A 3 Negative BERKELEY-LAB 377.086 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C12H22O11 GUBGYTABKSRVRQ-QUYVBRFLSA-N GUBGYTABKSRVRQ Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides Disaccharides|Polysaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00010102464 CCMSLIB00000578104 180 spectra_filtered.mgf GNPS-EMBL-MCF.mgf 0.806158 8712.0 0 2.3996 6 0.000640869 267.072 0 temp/spectra_filtered.mgf180 1 INOSINE LC-ESI Q-Exactive Plus Commercial standard Alexandrov Theodore Prasad M-H 267.073 268.081 0 58-63-9 6021 C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)CO)O)O InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18) N/A 1 Negative GNPS-EMBL-MCF 267.073 UPDATE-SINGLE-ANNOTATED-GOLD Gold C10H12N4O5 UGQMRVRMYYASKQ-UHFFFAOYSA-N UGQMRVRMYYASKQ N/A N/A N/A Nucleosides Purine nucleos(t)ides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000578104 CCMSLIB00012352928 384 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.800184 58189.0 0 0.555707 16 0.000305176 549.167 -1 temp/spectra_filtered.mgf384 1 maltotriose ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M+FA]- 549.167 504.169 1 N/A N/A OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16?,17-,18-/m1/s1 FYGDTMLNYKFZSV-DZOUCCHMSA-N 1 Negative MSNLIB-NEGATIVE 549.167 UPDATE-SINGLE-ANNOTATED-GOLD Gold C18H32O16 FYGDTMLNYKFZSV-DZOUCCHMSA-N FYGDTMLNYKFZSV Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides Disaccharides|Polysaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012352928 CCMSLIB00004694531 195 spectra_filtered.mgf MONA.mgf 0.787777 3915.0 0 4.65842 6 0.000946045 203.082 0 temp/spectra_filtered.mgf195 1 TRYPTOPHAN N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF003468 [M-H]- 203.083 0.0 1 N/A N/A N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1 N/A 3 negative MONA 203.083 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C11H12N2O2 QIVBCDIJIAJPQS-VIFPVBQESA-N QIVBCDIJIAJPQS Organoheterocyclic compounds Indoles and derivatives Indolyl carboxylic acids and derivatives Small peptides Aminoacids Amino acids and Peptides|Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004694531 CCMSLIB00010102823 351 spectra_filtered.mgf BERKELEY-LAB.mgf 0.783159 2816.0 0 2.02325 8 0.000762939 377.085 -1 temp/spectra_filtered.mgf351 1 melibiose CollisionEnergy:102040 LC-ESI Orbitrap Commercial Trent Northen JGI M+Cl 377.086 0.0 1 N/A N/A OC[C@H]1O[C@H](OC[C@H]2OC(O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O """InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8+,9-,10-,11?,12+/m1/s1""" N/A 3 Negative BERKELEY-LAB 377.086 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C12H22O11 DLRVVLDZNNYCBX-ABXHMFFYSA-N DLRVVLDZNNYCBX Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides Disaccharides|Polysaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00010102823 CCMSLIB00010062186 171 spectra_filtered.mgf PNNL-LIPIDS-NEGATIVE.mgf 0.780086 23998.1 0 0.0 11 0.0 595.288 -1 temp/spectra_filtered.mgf171 1 PI(18:2/0:0); [M-H]- C27H48O12P1 LC-ESI CID; Velos Commercial Thomas Metz Thomas Metz M-H 595.288 0.0 1 N/A N/A N/A N/A N/A 1 Negative PNNL-LIPIDS-NEGATIVE 595.288 UPDATE-SINGLE-ANNOTATED-GOLD Gold N/A N/A N/A N/A N/A N/A N/A N/A N/A mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00010062186 CCMSLIB00012352928 371 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.750515 76568.0 0 0.555707 15 0.000305176 549.167 -1 temp/spectra_filtered.mgf371 1 maltotriose ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M+FA]- 549.167 504.169 1 N/A N/A OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16?,17-,18-/m1/s1 FYGDTMLNYKFZSV-DZOUCCHMSA-N 1 Negative MSNLIB-NEGATIVE 549.167 UPDATE-SINGLE-ANNOTATED-GOLD Gold C18H32O16 FYGDTMLNYKFZSV-DZOUCCHMSA-N FYGDTMLNYKFZSV Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides Disaccharides|Polysaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012352928 CCMSLIB00005739153 66 spectra_filtered.mgf MASSBANK.mgf 0.749746 3811.0 0 1.50878 7 0.000854492 566.346 -1 temp/spectra_filtered.mgf66 1 Massbank:PR309160 LPC 18:1 ESI qTof Isolated Massbank Massbank M+HCOO 566.345 0.0 1 N/A N/A O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCCCCCCCC 1S/C26H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h12-13,25,28H,5-11,14-24H2,1-4H3 N/A 3 Negative MASSBANK 566.345 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A YAMUFBLWGFFICM-UHFFFAOYSA-N YAMUFBLWGFFICM Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines N/A N/A N/A mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005739153 CCMSLIB00006679996 284 spectra_filtered.mgf MONA.mgf 0.741809 4385.5 0 2.68397 8 0.000915527 341.108 -1 temp/spectra_filtered.mgf284 1 SUCROSE ESI Orbitrap isolated MoNA MoNA:MoNA038468 M-H 341.109 0.0 1 N/A N/A C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@]2(CO)[C@H]([C@@H]([C@@H](CO)O2)O)O)O)O)O)O """InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1""" N/A 3 negative MONA 341.109 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C12H22O11 CZMRCDWAGMRECN-UGDNZRGBSA-N CZMRCDWAGMRECN Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides Disaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006679996 CCMSLIB00004694796 116 spectra_filtered.mgf MONA.mgf 0.727682 9439.15 0 125.901 9 0.0376587 299.076 -1 temp/spectra_filtered.mgf116 1 rhodioloside N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF003733 [M-H]- 299.114 0.0 1 N/A N/A OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1 N/A 3 negative MONA 299.114 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C14H20O7 ILRCGYURZSFMEG-RKQHYHRCSA-N ILRCGYURZSFMEG Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Phenylethanoids (C6-C2) Phenylethanoids Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004694796 CCMSLIB00012859217 390 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.724614 19397.9 0 1.68373 6 0.000259399 154.062 -1 temp/spectra_filtered.mgf390 1 L-histidine ESI Orbitrap Commercial Tomas Pluskal Corinna Brungs [M-H]- 154.062 155.069 -1 N/A N/A N[C@@H](Cc1cnc[nH]1)C(=O)O InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1 HNDVDQJCIGZPNO-YFKPBYRVSA-N 1 Negative MSNLIB-NEGATIVE 154.062 UPDATE-SINGLE-ANNOTATED-GOLD Gold C6H9N3O2 HNDVDQJCIGZPNO-YFKPBYRVSA-N HNDVDQJCIGZPNO Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Aminoacids Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012859217 CCMSLIB00011428009 322 spectra_filtered.mgf LEAFBOT.mgf 0.722857 65000.9 0 0.357336 11 0.000244141 683.225 -1 temp/spectra_filtered.mgf322 1 PALATINOSE ESI Orbitrap Commercial Cech Vicky Anderson 2M-H 683.225 342.116 -1 13718-94-0 N/A C(C1C(C(C(C(O1)OCC2C(C(C(O2)(CO)O)O)O)O)O)O)O """InChI=1S/C12H22O11/c13-1-4-6(15)8(17)9(18)11(22-4)21-2-5-7(16)10(19)12(20,3-14)23-5/h4-11,13-20H,1-3H2""" N/A 1 Negative LEAFBOT 683.225 UPDATE-SINGLE-ANNOTATED-GOLD Gold C12H22O11 PVXPPJIGRGXGCY-UHFFFAOYSA-N PVXPPJIGRGXGCY Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides Disaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00011428009 CCMSLIB00012345519 153 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.722541 1404.0 0 2.74503 10 0.00106812 389.108 0 temp/spectra_filtered.mgf153 1 Deacetylasperulosidic acid ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M-H]- 389.109 390.116 1 N/A N/A O=C(O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=C[C@H](O)[C@H]12 InChI=1S/C16H22O11/c17-2-5-1-7(19)10-6(14(23)24)4-25-15(9(5)10)27-16-13(22)12(21)11(20)8(3-18)26-16/h1,4,7-13,15-22H,2-3H2,(H,23,24)/t7-,8+,9+,10-,11+,12-,13+,15-,16-/m0/s1 ZVXWFPTVHBWJOU-YYFGDFGFSA-N 1 Negative MSNLIB-NEGATIVE 389.109 UPDATE-SINGLE-ANNOTATED-GOLD Gold C16H22O11 ZVXWFPTVHBWJOU-YYFGDFGFSA-N ZVXWFPTVHBWJOU Lipids and lipid-like molecules Prenol lipids Terpene glycosides Monoterpenoids Iridoids monoterpenoids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012345519 CCMSLIB00011428009 308 spectra_filtered.mgf LEAFBOT.mgf 0.719242 12884.9 0 0.357336 10 0.000244141 683.225 -1 temp/spectra_filtered.mgf308 1 PALATINOSE ESI Orbitrap Commercial Cech Vicky Anderson 2M-H 683.225 342.116 -1 13718-94-0 N/A C(C1C(C(C(C(O1)OCC2C(C(C(O2)(CO)O)O)O)O)O)O)O """InChI=1S/C12H22O11/c13-1-4-6(15)8(17)9(18)11(22-4)21-2-5-7(16)10(19)12(20,3-14)23-5/h4-11,13-20H,1-3H2""" N/A 1 Negative LEAFBOT 683.225 UPDATE-SINGLE-ANNOTATED-GOLD Gold C12H22O11 PVXPPJIGRGXGCY-UHFFFAOYSA-N PVXPPJIGRGXGCY Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides Disaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00011428009 CCMSLIB00006112686 406 spectra_filtered.mgf BIRMINGHAM-UHPLC-MS-NEG.mgf 0.718177 4289.1 0 2.81627 8 0.000549316 195.05 0 temp/spectra_filtered.mgf406 1 1726059 - 40.0 eV ESI Orbitrap Isolated PI Data Collector M-H 195.051 0.0 1 N/A C([C@H]([C@@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3+,4+,5-/m1/s1 N/A 1 Negative BIRMINGHAM-UHPLC-MS-NEG 195.051 UPDATE-SINGLE-ANNOTATED-GOLD Gold C6H12O7 RGHNJXZEOKUKBD-MGCNEYSASA-N RGHNJXZEOKUKBD Organic acids and derivatives Hydroxy acids and derivatives Medium-chain hydroxy acids and derivatives Saccharides Monosaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006112686 CCMSLIB00010059800 99 spectra_filtered.mgf PNNL-LIPIDS-NEGATIVE.mgf 0.710435 26847.3 0 0.745551 7 0.000335693 450.262 -1 temp/spectra_filtered.mgf99 1 PE(16:1/0:0); [M-H]- C21H41N1O7P1 LC-ESI HCD; Lumos Commercial Thomas Metz Thomas Metz M-H 450.262 0.0 1 N/A N/A N/A N/A N/A 1 Negative PNNL-LIPIDS-NEGATIVE 450.262 UPDATE-SINGLE-ANNOTATED-GOLD Gold N/A N/A N/A N/A N/A N/A N/A N/A N/A mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00010059800 CCMSLIB00012413488 157 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.709485 46900.5 0 0.681026 6 0.000152588 224.056 -1 temp/spectra_filtered.mgf157 1 Madurastatin B2 ESI Orbitrap Isolated Tomas Pluskal Corinna Brungs [M-H]- 224.056 225.064 1 N/A N/A O=C(N[C@H](CO)C(=O)O)c1ccccc1O InChI=1S/C10H11NO5/c12-5-7(10(15)16)11-9(14)6-3-1-2-4-8(6)13/h1-4,7,12-13H,5H2,(H,11,14)(H,15,16)/t7-/m1/s1 SAEFXOJAEDXDBM-SSDOTTSWSA-N 1 Negative MSNLIB-NEGATIVE 224.056 UPDATE-SINGLE-ANNOTATED-GOLD Gold C10H11NO5 SAEFXOJAEDXDBM-SSDOTTSWSA-N SAEFXOJAEDXDBM Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012413488 CCMSLIB00012354266 365 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.705907 10793.6 0 2.89714 7 0.000976562 337.077 -1 temp/spectra_filtered.mgf365 1 129499-78-1 ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M-H]- 337.078 338.085 1 N/A N/A O=C1O[C@H]([C@@H](O)CO)C(O)=C1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O InChI=1S/C12H18O11/c13-1-3(15)9-8(19)10(11(20)22-9)23-12-7(18)6(17)5(16)4(2-14)21-12/h3-7,9,12-19H,1-2H2/t3-,4+,5+,6-,7+,9+,12+/m0/s1 MLSJBGYKDYSOAE-DCWMUDTNSA-N 1 Negative MSNLIB-NEGATIVE 337.078 UPDATE-SINGLE-ANNOTATED-GOLD Gold C12H18O11 MLSJBGYKDYSOAE-DCWMUDTNSA-N MLSJBGYKDYSOAE Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Saccharides Monosaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012354266 CCMSLIB00010074856 170 spectra_filtered.mgf PNNL-LIPIDS-NEGATIVE.mgf 0.691642 16966.8 0 0.613106 10 0.000366211 597.304 -1 temp/spectra_filtered.mgf170 1 PI(18:1/0:0); [M-H]- C27H50O12P1 LC-ESI CID; Velos Commercial Thomas Metz Thomas Metz M-H 597.304 0.0 1 N/A N/A N/A N/A N/A 1 Negative PNNL-LIPIDS-NEGATIVE 597.304 UPDATE-SINGLE-ANNOTATED-GOLD Gold N/A N/A N/A N/A N/A N/A N/A N/A N/A mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00010074856 CCMSLIB00012352657 388 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.687968 11365.9 0 1.00928 6 0.000671387 665.214 -1 temp/spectra_filtered.mgf388 1 maltotetraose ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M-H]- 665.215 666.222 1 N/A N/A OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22-,23-,24-/m1/s1 LUEWUZLMQUOBSB-ZLBHSGTGSA-N 1 Negative MSNLIB-NEGATIVE 665.215 UPDATE-SINGLE-ANNOTATED-GOLD Gold C24H42O21 LUEWUZLMQUOBSB-ZLBHSGTGSA-N LUEWUZLMQUOBSB Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides Polysaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012352657 CCMSLIB00003139527 154 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.686818 4982.68 0 1.09551 6 0.000198364 181.071 0 temp/spectra_filtered.mgf154 1 Spectral Match to Dulcitol from NIST14 ESI QqQ Isolated Data from Sambles Data deposited by rsilva M-H 181.071 0.0 1 608662 N/A N/A N/A N/A 3 Negative GNPS-NIST14-MATCHES 181.071 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00003139527 CCMSLIB00012309517 369 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.685535 7074.6 0 0.452835 11 0.000244141 539.138 -1 temp/spectra_filtered.mgf369 1 Melezitose ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M+Cl]- 539.138 504.169 1 N/A N/A OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O InChI=1S/C18H32O16/c19-1-5-8(23)11(26)13(28)16(30-5)32-15-10(25)7(3-21)33-18(15,4-22)34-17-14(29)12(27)9(24)6(2-20)31-17/h5-17,19-29H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15+,16-,17-,18+/m1/s1 QWIZNVHXZXRPDR-WSCXOGSTSA-N 1 Negative MSNLIB-NEGATIVE 539.138 UPDATE-SINGLE-ANNOTATED-GOLD Gold C18H32O16 QWIZNVHXZXRPDR-WSCXOGSTSA-N QWIZNVHXZXRPDR Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides Disaccharides|Polysaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012309517 CCMSLIB00000222192 363 spectra_filtered.mgf RESPECT.mgf 0.685452 4199.61 0 0.0 12 0.0 503.161 0 temp/spectra_filtered.mgf363 1 ReSpect:PT205480 Maltotriose|Amylotriose|alpha-1,4-Glucotriose|Triomaltose|O-alpha-D-glucopyranosyl-O-alpha-D-glucopyranosyl-D-glucose|(Glc(alpha1-4)Glc(alpha1-4)Glc)|(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy ESI LC-Q-TOF/MS Isolated Putative ReSpect Match ReSpect [M+H] 503.161 0.0 1 1109-28-0 N/A C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)O)O 1/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16?,17-,18-/m1/s1 N/A 3 Positive RESPECT 503.161 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C18H32O16 FYGDTMLNYKFZSV-UHFFFAOYSA-N FYGDTMLNYKFZSV Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides Disaccharides|Polysaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000222192 CCMSLIB00012352657 394 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.675114 6280.64 0 0.825773 6 0.000549316 665.214 0 temp/spectra_filtered.mgf394 1 maltotetraose ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M-H]- 665.215 666.222 1 N/A N/A OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22-,23-,24-/m1/s1 LUEWUZLMQUOBSB-ZLBHSGTGSA-N 1 Negative MSNLIB-NEGATIVE 665.215 UPDATE-SINGLE-ANNOTATED-GOLD Gold C24H42O21 LUEWUZLMQUOBSB-ZLBHSGTGSA-N LUEWUZLMQUOBSB Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides Polysaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012352657 CCMSLIB00010059800 98 spectra_filtered.mgf PNNL-LIPIDS-NEGATIVE.mgf 0.657507 38309.2 0 1.69443 7 0.000762939 450.263 -1 temp/spectra_filtered.mgf98 1 PE(16:1/0:0); [M-H]- C21H41N1O7P1 LC-ESI HCD; Lumos Commercial Thomas Metz Thomas Metz M-H 450.262 0.0 1 N/A N/A N/A N/A N/A 1 Negative PNNL-LIPIDS-NEGATIVE 450.262 UPDATE-SINGLE-ANNOTATED-GOLD Gold N/A N/A N/A N/A N/A N/A N/A N/A N/A mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00010059800 CCMSLIB00012352657 392 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.610814 4234.93 0 0.550515 6 0.000366211 665.215 0 temp/spectra_filtered.mgf392 1 maltotetraose ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M-H]- 665.215 666.222 1 N/A N/A OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22-,23-,24-/m1/s1 LUEWUZLMQUOBSB-ZLBHSGTGSA-N 1 Negative MSNLIB-NEGATIVE 665.215 UPDATE-SINGLE-ANNOTATED-GOLD Gold C24H42O21 LUEWUZLMQUOBSB-ZLBHSGTGSA-N LUEWUZLMQUOBSB Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides Polysaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012352657 CCMSLIB00012370181 229 spectra_filtered.mgf MSNLIB-POSITIVE.mgf 0.602909 476670.0 0 79.9802 6 0.0332031 415.109 -1 temp/spectra_filtered.mgf229 1 CHEMBL1513915 ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M+H]+ 415.142 414.135 1 N/A N/A CCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)COc1cc(C)c(Cl)cc1 InChI=1S/C22H23ClN2O4/c1-3-28-22(27)20(11-15-12-24-19-7-5-4-6-17(15)19)25-21(26)13-29-16-8-9-18(23)14(2)10-16/h4-10,12,20,24H,3,11,13H2,1-2H3,(H,25,26) UZLVUDITSQQQCS-UHFFFAOYSA-N 1 Positive MSNLIB-POSITIVE 415.142 UPDATE-SINGLE-ANNOTATED-GOLD Gold C22H23ClN2O4 UZLVUDITSQQQCS-UHFFFAOYSA-N UZLVUDITSQQQCS Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012370181 CCMSLIB00012859839 133 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.602419 2591.0 0 156.814 7 0.0594482 379.16 -1 temp/spectra_filtered.mgf133 1 lactitol ESI Orbitrap Commercial Tomas Pluskal Corinna Brungs [M+Cl]- 379.101 344.132 -1 N/A N/A OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)CO InChI=1S/C12H24O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4-21H,1-3H2/t4-,5+,6+,7+,8-,9-,10+,11+,12-/m0/s1 VQHSOMBJVWLPSR-JVCRWLNRSA-N 1 Negative MSNLIB-NEGATIVE 379.101 UPDATE-SINGLE-ANNOTATED-GOLD Gold C12H24O11 VQHSOMBJVWLPSR-JVCRWLNRSA-N VQHSOMBJVWLPSR Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Saccharides Disaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012859839 nf_output/RESPECT.mgf.tsv0000644000000000000000000000000114767266356014227 0ustar rootroot nf_output/ECRFS_DB.mgf.tsv0000644000000000000000000000000114767266356014331 0ustar rootroot nf_output/PNNL-LIPIDS-POSITIVE.mgf.tsv0000644000000000000000000000000114767266363016111 0ustar rootroot nf_output/AASDB.mgf.tsv0000644000000000000000000000000114767266356013734 0ustar rootroot nf_output/BIRMINGHAM-UHPLC-MS-POS.mgf.tsv0000644000000000000000000000000114767266356016364 0ustar rootroot nf_output/MSNLIB-NEGATIVE.mgf.tsv0000644000000000000000000000000114767266356015306 0ustar rootroot nf_output/networking/0000755000000000000000000000000014767267025014006 5ustar rootrootnf_output/networking/filtered_pairs.tsv0000644000000000000000000002310114767266375017544 0ustar rootrootCLUSTERID1 CLUSTERID2 ComponentIndex Cosine DeltaMZ 36 38 1 0.8061 93.065 31 39 2 0.7853 -1.159 41 97 3 0.9268 264.245 42 97 3 0.7769 238.229 66 97 3 0.7055 88.052 88 97 3 0.8881 -0.000 97 98 3 0.8197 28.031 97 99 3 0.8506 28.031 97 101 3 0.9534 26.016 97 111 3 0.7411 54.047 50 98 3 0.8901 238.229 88 98 3 0.7209 28.031 98 99 3 0.9526 0.000 98 101 3 0.8032 -2.015 98 102 3 0.8953 -3.018 41 88 3 0.9257 264.245 42 88 3 0.7749 238.229 88 99 3 0.7677 28.031 88 101 3 0.9077 26.016 88 111 3 0.731 54.047 41 42 3 0.8531 26.016 42 50 3 0.8948 28.031 41 66 3 0.7115 176.193 47 50 3 0.7186 14.016 50 51 3 0.8937 28.031 50 99 3 0.9085 238.230 99 102 3 0.8432 -3.019 101 102 3 0.9548 -1.003 51 99 3 0.723 210.198 101 111 3 0.757 28.031 99 101 3 0.8029 -2.015 90 91 4 0.7933 -44.008 9 148 5 0.7543 84.094 230 231 6 0.8649 -0.960 230 339 6 0.8163 28.030 173 226 6 0.9255 0.000 225 226 6 0.7845 55.966 226 229 6 0.9588 27.995 226 236 6 0.9118 27.995 226 241 6 0.9073 27.995 226 286 6 0.8532 63.018 226 287 6 0.868 66.019 226 342 6 0.8894 55.990 226 343 6 0.8826 -240.121 226 345 6 0.788 -286.126 329 335 6 0.8137 341.117 331 335 6 0.7569 29.974 333 335 6 0.8184 -22.981 335 337 6 0.9398 44.026 335 346 6 0.7762 64.992 335 348 6 0.8008 64.006 55 106 6 0.7934 -150.053 273 298 6 0.8072 -30.011 53 316 6 0.7346 -8.983 53 346 6 0.7718 -224.075 173 229 6 0.9311 27.995 225 229 6 0.7461 83.962 229 236 6 0.9268 0.000 229 241 6 0.9195 0.000 229 286 6 0.8809 35.023 229 287 6 0.9002 38.023 229 342 6 0.9438 27.995 229 343 6 0.8811 -268.116 282 381 6 0.7681 -440.198 369 381 6 0.8116 -468.193 370 381 6 0.8761 0.000 371 381 6 0.8624 -458.164 379 381 6 0.7535 -468.193 381 384 6 0.8751 458.164 381 391 6 0.7406 296.111 381 394 6 0.7357 342.116 391 392 6 0.7388 46.005 313 398 6 0.8112 300.058 311 313 6 0.8558 -188.081 311 347 6 0.7838 -188.081 282 297 6 0.7624 0.000 297 369 6 0.7722 27.995 266 269 6 0.9064 -201.076 267 269 6 0.9235 -195.120 269 313 6 0.7896 -7.039 269 323 6 0.8828 62.019 269 331 6 0.7452 -74.994 269 333 6 0.8773 -22.039 269 349 6 0.8967 62.019 209 362 6 0.7718 -134.058 233 362 6 0.7445 -134.058 307 362 6 0.7342 -162.053 362 373 6 0.7785 -0.000 362 383 6 0.7879 -0.000 282 384 6 0.8239 17.966 322 384 6 0.8176 134.058 361 384 6 0.8739 -0.000 369 384 6 0.9008 -10.029 370 384 6 0.8146 458.164 371 384 6 0.9543 0.000 382 384 6 0.8311 -46.006 384 391 6 0.8442 -162.053 308 361 6 0.8469 134.058 322 361 6 0.8788 134.058 324 361 6 0.7984 -172.081 361 369 6 0.869 10.029 361 371 6 0.8497 -0.000 361 372 6 0.8241 46.005 361 382 6 0.8386 46.005 361 388 6 0.859 -116.048 361 391 6 0.8581 -162.053 303 320 6 0.8299 0.000 303 357 6 0.7445 0.000 71 325 6 0.7639 -70.005 190 325 6 0.7346 -70.005 222 325 6 0.7271 -39.995 369 391 6 0.7723 -172.082 370 391 6 0.7359 296.111 371 391 6 0.8004 -162.053 388 391 6 0.868 -46.005 391 394 6 0.8036 46.005 71 190 6 0.9049 -0.000 154 190 6 0.7309 30.010 190 218 6 0.8933 -30.011 190 222 6 0.7753 -30.010 323 340 6 0.79 -315.098 336 340 6 0.8198 -186.067 191 301 6 0.7755 21.936 256 301 6 0.7378 -96.030 301 302 6 0.7464 -174.065 265 302 6 0.7521 -27.011 302 313 6 0.8919 14.015 302 318 6 0.8921 41.026 302 333 6 0.8231 -0.984 302 337 6 0.7244 20.061 302 339 6 0.7629 56.073 302 343 6 0.8561 -196.047 298 324 6 0.8211 0.000 308 324 6 0.8482 306.139 320 324 6 0.7677 -35.977 322 324 6 0.874 306.139 324 338 6 0.8832 0.000 324 372 6 0.8274 -126.076 324 382 6 0.8333 -126.076 189 191 6 0.9389 208.108 189 194 6 0.7536 105.032 209 383 6 0.8476 -134.058 233 383 6 0.8416 -134.058 240 383 6 0.7669 -134.058 307 383 6 0.8103 -162.053 323 383 6 0.8383 -162.053 349 383 6 0.8509 -162.053 373 383 6 0.8202 0.000 376 383 6 0.7691 70.042 377 383 6 0.8246 103.052 298 382 6 0.8892 -126.076 308 382 6 0.8437 180.064 320 382 6 0.7978 -162.053 322 382 6 0.876 180.064 338 382 6 0.798 -126.076 341 382 6 0.7997 -162.053 372 382 6 0.8806 -0.000 309 337 6 0.7518 66.018 331 337 6 0.8742 74.000 333 337 6 0.8315 21.045 337 339 6 0.8544 36.013 337 345 6 0.7754 -262.113 337 346 6 0.7567 20.966 336 347 6 0.7744 59.973 194 233 6 0.7478 6.026 134 342 6 0.8465 38.052 173 342 6 0.8411 55.990 236 342 6 0.9302 27.995 241 342 6 0.9201 27.995 286 342 6 0.9122 -7.028 287 342 6 0.9265 -10.028 342 343 6 0.8829 -296.111 342 371 6 0.8736 -162.053 282 370 6 0.7435 -440.198 369 370 6 0.7953 -468.193 370 371 6 0.828 458.164 173 225 6 0.7509 -55.966 173 236 6 0.8536 27.995 173 241 6 0.8518 27.995 173 286 6 0.7962 63.018 173 287 6 0.8148 66.019 173 345 6 0.7297 -286.126 264 266 6 0.8675 -5.957 309 333 6 0.778 44.973 313 333 6 0.8296 -15.000 333 339 6 0.8728 57.058 333 346 6 0.7529 42.011 333 349 6 0.8282 84.058 309 346 6 0.732 86.984 339 346 6 0.7826 -15.047 346 348 6 0.757 -0.986 364 377 6 0.851 -0.000 373 377 6 0.8179 -103.052 374 377 6 0.8805 -30.011 376 377 6 0.8695 -33.010 307 323 6 0.8231 -0.000 307 349 6 0.8363 -0.000 307 373 6 0.7863 -162.053 282 371 6 0.8544 17.966 322 371 6 0.7745 134.058 369 371 6 0.8931 -10.029 371 379 6 0.7716 10.029 314 316 6 0.7656 -0.945 240 323 6 0.805 27.995 240 349 6 0.8185 27.995 236 241 6 0.9391 0.000 236 286 6 0.904 35.023 236 287 6 0.9085 38.023 236 343 6 0.9097 -268.116 331 339 6 0.7471 110.013 331 345 6 0.8531 -188.113 364 374 6 0.7806 30.010 373 374 6 0.7823 -73.042 374 376 6 0.8603 3.000 287 291 6 0.8818 27.995 373 376 6 0.7817 -70.042 309 336 6 0.8398 0.000 298 322 6 0.8306 -306.139 308 322 6 0.9508 0.000 318 322 6 0.8466 -237.074 322 338 6 0.8338 306.139 322 372 6 0.826 180.064 298 372 6 0.8663 -126.076 308 372 6 0.7992 180.064 320 372 6 0.7694 -162.053 338 372 6 0.791 -126.076 341 372 6 0.8098 -162.053 71 154 6 0.746 -30.011 154 218 6 0.7766 -0.000 154 222 6 0.7751 -0.000 241 287 6 0.8997 38.023 286 287 6 0.9545 3.000 287 343 6 0.8635 -306.140 233 323 6 0.8688 27.995 323 349 6 0.8814 -0.000 323 373 6 0.816 -162.053 209 356 6 0.8354 27.995 209 373 6 0.8275 -134.058 369 379 6 0.789 0.000 379 394 6 0.7546 -126.077 369 394 6 0.785 -126.077 388 394 6 0.7947 -0.000 55 339 6 0.915 -27.980 313 339 6 0.7979 42.058 339 348 6 0.818 -16.033 193 357 6 0.751 80.027 218 357 6 0.7411 -160.036 222 357 6 0.7614 -160.037 228 357 6 0.7871 0.000 298 357 6 0.836 35.978 320 357 6 0.766 0.000 341 357 6 0.854 0.000 231 232 6 0.7675 2.975 232 233 6 0.7339 25.020 193 341 6 0.9072 80.027 218 341 6 0.7579 -160.037 222 341 6 0.7834 -160.037 228 341 6 0.9192 -0.000 298 341 6 0.8799 35.977 320 341 6 0.761 -0.000 341 358 6 0.7644 -35.977 71 218 6 0.8987 -30.011 218 222 6 0.9523 0.000 308 318 6 0.8091 237.074 308 338 6 0.8048 306.139 308 388 6 0.7581 18.010 233 243 6 0.8014 -83.026 233 349 6 0.8907 27.995 233 373 6 0.8159 -134.058 241 286 6 0.8857 35.023 241 343 6 0.8913 -268.116 193 358 6 0.7568 44.050 298 358 6 0.7876 0.000 313 349 6 0.7833 69.058 349 373 6 0.8378 -162.053 286 343 6 0.849 -303.139 282 369 6 0.831 27.995 193 228 6 0.8427 80.027 193 298 6 0.8647 44.049 71 222 6 0.7636 -30.011 222 228 6 0.7438 -160.037 265 318 6 0.8182 14.015 313 318 6 0.8309 27.011 318 343 6 0.8447 -237.074 228 298 6 0.804 -35.977 265 313 6 0.8155 -12.996 313 343 6 0.8628 -210.063 192 266 6 0.7865 -98.027 113 192 6 0.8189 -15.995 2 5 7 0.9561 28.031 2 23 7 0.841 84.094 2 46 7 0.8585 112.126 5 46 7 0.8814 84.094 23 46 7 0.8523 28.031 46 178 7 0.7841 56.062 5 23 7 0.8627 56.063 5 178 7 0.7341 140.157 23 178 7 0.7053 84.094 89 96 8 0.8258 -1.990 94 96 8 0.8772 -0.993 95 96 8 0.7501 -44.003 4 12 8 0.809 225.173 87 93 8 0.9614 0.036 93 95 8 0.8857 1.981 89 94 8 0.9061 -0.997 89 104 8 0.7124 58.005 81 86 8 0.7636 -2.015 85 86 8 0.7349 2.017 86 104 8 0.7784 2.015 29 52 8 0.7052 -34.042 29 64 8 0.741 -39.011 29 95 8 0.7042 -35.999 12 81 8 0.7758 1.908 12 104 8 0.7388 1.908 87 95 8 0.8823 2.016 81 104 8 0.9144 -0.000 52 199 8 0.7893 13.041 52 64 8 0.7277 -4.970 7 52 8 0.8222 16.031 83 107 9 0.8902 -46.042 83 109 9 0.8704 -0.000 107 109 9 0.8573 46.041 68 69 10 0.7329 -1.005 69 253 10 0.7008 14.015 203 204 11 0.8745 327.121 72 149 11 0.7067 42.011 128 149 11 0.874 14.016 149 160 11 0.7599 0.000 149 206 11 0.8713 27.995 149 207 11 0.7362 -152.068 72 160 11 0.7377 42.011 160 206 11 0.8586 27.995 160 207 11 0.7912 -152.068 206 251 11 0.7271 -15.994 203 207 11 0.9476 210.053 205 207 11 0.8936 248.009 206 207 11 0.7767 -180.064 72 128 11 0.8134 27.995 128 206 11 0.8395 42.011 203 205 11 0.917 -37.956 201 208 12 0.7988 -0.000 73 75 13 0.7243 28.032 75 76 13 0.8123 28.031 60 77 14 0.7452 14.015 19 77 14 0.803 -44.026 137 145 16 0.9485 80.084 141 145 16 0.9146 -149.060 142 145 16 0.9366 -90.010 144 145 16 0.9271 82.064 137 142 16 0.943 170.094 141 142 16 0.9198 -59.050 137 144 16 0.926 -1.980 14 17 17 0.8263 -15.995 14 18 17 0.779 -60.021 14 184 17 0.748 38.125 14 202 17 0.7667 -5.902 146 184 17 0.715 28.031 146 202 17 0.7371 -15.996 17 18 17 0.8074 -44.026 18 20 17 0.7148 -44.027 184 202 17 0.7662 -44.026 294 295 18 0.8052 -1.997 164 317 19 0.7835 42.010 24 45 20 0.7009 -44.026 32 45 20 0.7808 -0.000 67 215 21 0.8093 152.156 70 215 21 0.8291 126.141 215 258 21 0.7856 14.016 67 70 21 0.9118 26.015 67 258 21 0.8003 166.172 70 258 21 0.7851 140.157 179 390 22 0.7759 10.010 390 405 22 0.8184 0.000 399 405 22 0.7549 0.000 390 399 22 0.8319 0.000 395 399 22 0.7044 0.000 390 395 22 0.7524 0.000 103 117 23 0.8151 -0.001 170 171 24 0.8505 2.016 170 172 24 0.8316 28.031 171 172 24 0.8302 26.015 285 319 27 0.8878 0.000 168 180 29 0.8024 0.001 168 196 29 0.8626 -15.011 276 288 31 0.7602 0.251 288 292 31 0.8338 -1.997 49 62 33 0.7371 14.016 62 79 33 0.9476 14.015 62 112 33 0.7767 -58.042 62 131 33 0.9101 28.031 26 49 33 0.7461 0.984 49 65 33 0.7074 2.099 79 112 33 0.7745 -72.058 79 131 33 0.9044 14.015 26 65 33 0.739 3.083 112 131 33 0.8072 86.073 11 74 36 0.7123 13.031 3 16 37 0.9477 -0.001 10 16 37 0.8686 28.031 15 16 37 0.8746 2.015 3 10 37 0.8426 -28.032 10 15 37 0.8397 26.017 3 15 37 0.862 -2.015 410 411 39 0.8121 16.990 nf_output/networking/params/0000755000000000000000000000000014767266363015275 5ustar rootrootnf_output/networking/params/0.params0000644000000000000000000000025714767266363016645 0ustar rootrootALIGNS_FORMAT=tsv MIN_MATCHED_PEAKS=6 TOLERANCE_PEAK=0.1 TOLERANCE_PM=0.1 PAIRS_MIN_COSINE=0.7 MAX_SHIFT=1999.0 INPUT_SPECTRA_MS2=spectra_filtered.mgf IDX_START=0 IDX_END=411 nf_output/networking/clustersummary_with_network.tsv0000644000000000000000000007476414767267020022464 0ustar rootrootcluster index parent mass RTMean ATTRIBUTE_group:GNPSGROUP:nan ATTRIBUTE_group:GNPSGROUP:A ATTRIBUTE_group:GNPSGROUP:B ATTRIBUTE_group:GNPSGROUP:C ATTRIBUTE_group:GNPSGROUP:D component #Scan# Compound_Name 1 93.03385290447436 1.3726889 0.0 0.0 33088.68625 14352.8575 -1 2 342.2282842200452 1.3893917 16143.706 25203.8085 0.0 0.0 7 3 774.5279624210174 1.4256333 0.0 0.0 0.0 14659.5635 37 4 414.1218492977562 1.4882333 0.0 28808.86125 0.0 0.0 8 5 314.1968815601056 1.4933132 156051.206 190025.735 0.0 0.0 7 6 201.0761274655518 1.533225 0.0 0.0 0.0 36528.68425 -1 7 217.10738466723123 1.5635065 0.0 0.0 23660.3975 180693.41825 8 8 93.04496836540216 1.59925 0.0 0.0 0.0 14573.1275 -1 9 272.1496694202024 1.62595 0.0 0.0 0.0 16860.7725 5 10 802.5603771415259 1.6640555 0.0 0.0 27151.983 24017.8825 37 10.0 (2-{[3-(hexadecanoyloxy)-2-[octadeca-9.12-dienoyloxy]propyl phosphono]oxy}ethyl)trimethylazanium 11 178.05023404461056 1.6760334 0.0 0.0 0.0 13228.6225 36 12 188.94898253557048 1.7026334 13862.9625 0.0 0.0 0.0 8 13 204.12365316668223 1.7026334 29095.3725 0.0 0.0 0.0 -1 13.0 Massbank:LU085152 Panthenol 14 293.17860481195504 1.708019 95574.044 76605.26775 80068.20925 67484.47899999999 17 14.0 (1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one 15 776.5433957777306 1.751811 0.0 0.0 26481.50625 22067.9785 37 16 774.5288730138618 1.76045 0.0 0.0 62833.00675 51868.4225 37 17 309.1736714811531 1.7619792 85640.4025 99774.87925 62593.105 59974.13924999999 17 18 353.1994786176988 1.798662 41369.0035 55224.1675 24394.625 20534.9 17 19 202.1078766798916 1.80035 0.0 0.0 0.0 39551.945 14 20 397.22625990072027 1.8235583 14620.248 0.0 13407.6125 0.0 17 21 171.06571659654227 1.827863 91704.07625 55807.233 72586.26775 101730.36 -1 22 127.07591121213706 1.8292907 47407.30575 19300.07 47087.78325 65410.1655 -1 23 258.1340381334496 1.8461833 0.0 0.0 0.0 15588.2315 7 24 316.2126434271194 1.8711833 0.0 16452.23625 0.0 0.0 20 25 89.0235512311677 1.8853583 0.0 0.0 0.0 29869.631500000003 -1 26 244.11833914250303 1.8909167 0.0 0.0 0.0 18811.215 33 27 194.08163019411083 1.92555 0.0 0.0 0.0 24253.925 -1 28 111.0194360568886 1.9417667 0.0 0.0 31507.36 16415.44 -1 29 167.03440596891804 1.9441166 72856.5625 0.0 111931.22 150824.92250000002 8 29.0 Homogentisic acid 30 216.1234363986188 1.9783 0.0 0.0 0.0 20147.53 -1 31 216.94379145047068 2.0031228 42023.38425 59114.18 28301.256 16393.4335 2 32 360.23881181531686 2.00415 0.0 22147.6175 0.0 0.0 20 33 99.00803117810024 2.0057502 31994.0275 0.0 0.0 0.0 -1 34 117.01877083220012 2.0078368 503873.835 368251.995 383016.26 477567.67999999993 -1 35 73.0285860830186 2.0082808 109373.1435 67873.53375 69823.3375 106534.4285 -1 36 530.2785104120919 2.0152998 21131.74 0.0 0.0 16909.20125 1 37 318.02785704601115 2.0189166 15729.0075 0.0 0.0 0.0 -1 38 437.21358469950616 2.0189166 19999.7975 0.0 0.0 0.0 1 38.0 D-pantothenic acid CollisionEnergy:102040 39 218.1031052887504 2.024331 638019.7475 114344.497 143738.94 166137.4375 2 40 88.03967650136562 2.0265 33301.3545 0.0 0.0 0.0 -1 41 742.5387858229274 2.043875 208206.9775 177930.63749999998 275445.57499999995 211560.6725 3 41.0 Spectral Match to 1-Stearoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine from NIST14 42 716.522749977004 2.0675 665784.8 468329.4075 656473.4850000001 482132.4275 3 42.0 (2-aminoethoxy)[2-(hexadecanoyloxy)-3-[octadec-11-enoyloxy]propoxy]phosphinic acid 43 89.02355611082942 2.0678582 0.0 0.0 0.0 36227.87 -1 44 195.06571730541225 2.0697334 0.0 0.0 0.0 15059.5205 -1 45 360.2388161045092 2.0765834 0.0 50894.105 0.0 0.0 20 46 230.10263502127668 2.0879667 0.0 0.0 0.0 15833.6035 7 47 702.5076365968943 2.0886 0.0 13106.54875 0.0 0.0 3 47.0 PE(15:0/18:1); [M-H]- C38H73N1O8P1 48 246.99120909765568 2.0927222 0.0 0.0 49074.27250000001 21696.7925 -1 49 243.13437202348544 2.0970666 0.0 0.0 0.0 28843.5 33 50 688.4919999607429 2.1007051 1111073.35 993683.325 1114146.435 1031145.875 3 50.0 PE(16:0/16:1); [M-H]- C37H71N1O8P1 51 660.4605446622179 2.128822 129526.70500000002 140590.9925 155913.62 215653.715 3 51.0 PE(14:0/16:1); [M-H]- C35H67N1O8P1 52 201.07597957430923 2.177861 0.0 0.0 0.0 199808.4425 8 53 222.0763033454145 2.181225 0.0 0.0 0.0 86270.38 6 54 153.01862959637714 2.22745 0.0 0.0 0.0 19316.91 -1 55 403.1241872745805 2.2475874 20419.65625 16481.185 57882.835 0.0 6 56 151.0395460357251 2.2482166 18290.415 0.0 24259.8775 0.0 -1 57 349.06927581920576 2.2494724 16516.0 14422.59 24519.86125 0.0 -1 58 359.09750936117143 2.2495408 248871.9425 189852.075 221344.31375 73321.195 -1 59 89.02367397714102 2.2499542 26174.616 0.0 38146.02875 0.0 -1 60 260.1495206114146 2.2600918 0.0 0.0 0.0 37595.02875 14 61 208.06051489951616 2.2895334 0.0 0.0 0.0 18983.8625 -1 62 229.1184198004067 2.297429 0.0 0.0 0.0 195740.375 33 63 285.0608566468509 2.3280666 0.0 0.0 0.0 37217.1225 -1 64 206.04552680170684 2.3593166 0.0 13041.248 0.0 0.0 8 65 241.0350635576058 2.3800666 0.0 0.0 0.0 16598.1725 33 66 566.3457974096141 2.42135 0.0 0.0 17788.2075 0.0 3 66.0 Massbank:PR309160 LPC 18:1 67 362.2442056064621 2.4242666 0.0 36451.405 0.0 0.0 21 68 160.03983663046114 2.44055 0.0 0.0 0.0 16711.3925 10 69 161.0449419243981 2.48759 13653.1475 0.0 16058.925 75759.98 10 69.0 Meglutol 70 336.22903204045184 2.5179167 0.0 31750.88 0.0 0.0 21 71 151.0606203206697 2.5271666 0.0 0.0 0.0 28875.6175 6 71.0 ARABITOL 72 459.1136845440237 2.5279167 0.0 0.0 0.0 75533.531 11 73 687.5440678824715 2.5327036 84257.46725 75595.8525 154983.2975 69698.95999999999 13 74 165.0188311080946 2.5618834 0.0 0.0 0.0 14153.915 36 75 659.5124284446764 2.5621688 150820.0575 107508.4365 219476.09000000003 135859.95 13 76 631.4810305663648 2.60535 0.0 0.0 0.0 14702.8775 13 77 246.134080266216 2.6086943 0.0 0.0 0.0 115957.194 14 78 229.0710375000464 2.619675 0.0 0.0 0.0 40109.124500000005 -1 79 215.1030108191725 2.6454399 0.0 0.0 15897.38 164044.575 33 80 365.1633183905246 2.64855 0.0 19363.5625 0.0 0.0 -1 81 187.0411037236024 2.6628668 0.0 0.0 13355.8325 55211.87 8 82 115.02029022867096 2.6806 0.0 0.0 0.0 12536.129 -1 83 463.10876429689966 2.6806 0.0 0.0 0.0 14541.77625 9 84 194.04522665628 2.7020664 25684.14 0.0 24187.245 22464.246 -1 84.0 4-HYDROXY-BZ-GLY-OH - 40.0 eV 85 191.07267377279115 2.7035 33074.775 0.0 0.0 0.0 8 86 189.05612915029147 2.703886 30933.3275 0.0 59529.64825 45854.6175 8 87 205.049599795934 2.7047243 21053.9425 49986.975000000006 72171.9975 17342.1975 8 88 478.29335782667874 2.7097 0.0 0.0 18422.24 24220.165 3 88.0 PE(18:1/0:0); [M-H]- C23H45N1O7P1 89 245.04647653186083 2.7155416 0.0 0.0 0.0 38784.7275 8 90 217.0328329782935 2.7182 0.0 0.0 0.0 17117.33 4 91 261.04062605310975 2.7182 0.0 0.0 0.0 13936.51375 4 92 173.02576793846893 2.7202168 0.0 0.0 0.0 37498.3445 -1 93 205.0139200348532 2.7220578 28052.64925 59750.7505 62220.985 69121.89050000001 8 94 246.0437565312131 2.7296085 0.0 0.0 0.0 28590.0245 8 95 203.0331934649314 2.7343335 0.0 0.0 0.0 81837.4125 8 96 247.03641790824423 2.7391334 0.0 0.0 12838.11425 0.0 8 97 478.29358068357527 2.7805529 98666.9775 32253.27 113610.2925 66441.62 3 97.0 PE(18:1/0:0); [M-H]- C23H45N1O7P1 98 450.26276122576456 2.7924333 0.0 0.0 25857.88875 0.0 3 98.0 PE(16:1/0:0); [M-H]- C21H41N1O7P1 99 450.2623329483288 2.8485205 15639.65625 37469.1175 83645.7225 42972.6525 3 99.0 PE(16:1/0:0); [M-H]- C21H41N1O7P1 100 905.5637132131336 2.8517332 0.0 0.0 12941.8085 12854.63375 -1 101 452.2774502174688 2.8579333 218755.2175 53542.61525 351959.645 203257.9365 3 101.0 Spectral Match to 1-Palmitoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine from NIST14 102 453.2809182724429 2.8586445 15099.7175 0.0 15793.6725 19335.371 3 103 305.0683101668419 2.86956 15235.3775 0.0 0.0 101585.19475 23 104 187.04126450765307 2.8698082 0.0 0.0 0.0 60959.825 8 105 417.1031486293373 2.8980167 0.0 0.0 0.0 15888.0375 -1 106 553.1767620418868 2.8980167 0.0 0.0 0.0 19341.0725 6 107 509.1503466515295 2.902425 0.0 0.0 0.0 35029.557 9 108 513.2188948283712 2.9071333 0.0 0.0 0.0 15190.885 -1 109 463.1090300636153 2.911446 0.0 0.0 0.0 91004.45425 9 110 379.1606913172725 2.9115334 0.0 0.0 0.0 34308.7375 -1 111 424.24667016223407 2.9308333 0.0 0.0 0.0 13356.00875 3 112 287.16088355963427 2.942675 0.0 0.0 0.0 47357.13625 33 113 151.02565353793702 2.960931 227620.834 291050.005 133450.9875 79403.759 6 114 89.023644609207 2.96735 0.0 0.0 0.0 25410.689 -1 115 135.03064799851376 2.9680166 13882.9675 17044.96875 0.0 0.0 -1 116 299.0763710941055 2.999043 63277.89275 17730.83 46459.325 18522.9425 -1 116.0 rhodioloside 117 305.0693976881394 3.0389333 0.0 0.0 0.0 13011.1095 23 118 279.03816479439735 3.069239 44709.6745 0.0 0.0 0.0 -1 118.0 uridine 119 495.11752787468345 3.0693083 50174.4585 22598.71875 60491.416 30981.8375 -1 120 200.0559653389267 3.069594 87943.015 48157.72875 38634.490000000005 70374.1325 -1 121 243.0615161475912 3.0696342 469510.25 333044.3375 286308.395 373930.535 -1 121.0 URIDINE 122 254.0665093188214 3.081675 0.0 0.0 0.0 39216.24875 -1 123 441.161109644883 3.1197777 0.0 0.0 0.0 67094.6465 -1 124 386.14498918221614 3.1430666 20868.5275 0.0 0.0 0.0 -1 125 423.0946742362405 3.1635807 43826.6825 68109.20999999999 14758.9765 106506.0425 -1 126 805.487208410837 3.1671333 0.0 0.0 0.0 23290.0075 -1 127 808.5054019042612 3.1671333 0.0 0.0 0.0 13357.44 -1 128 431.1189294135333 3.212346 0.0 0.0 0.0 1246218.55 11 128.0 Asperulosidic acid 129 494.1149903010408 3.2123778 0.0 0.0 0.0 48150.927500000005 -1 130 863.2466333941438 3.212346 0.0 0.0 0.0 628564.23 -1 130.0 Emodin-8-glucoside 131 201.08767626698824 3.2730463 174582.5325 108408.365 98632.61400000002 53644.915 33 132 181.07116378738937 3.2767832 0.0 0.0 14104.25875 0.0 -1 133 379.16044685174256 3.2937167 0.0 0.0 0.0 55146.535 -1 133.0 lactitol 134 425.1659360092301 3.2939835 0.0 0.0 0.0 125406.0625 6 134.0 Massbank:PR308942 Pentose-Hexose + C5H9 135 415.13719069716257 3.2972667 0.0 0.0 0.0 14117.454 -1 136 442.155774968465 3.2983918 0.0 0.0 0.0 26834.296 -1 137 508.2029935900176 3.3033278 0.0 0.0 0.0 131682.0025 16 138 233.0118147563065 3.30885 0.0 0.0 0.0 22894.9475 -1 139 128.0347547953409 3.3096147 295496.235 297918.62875000003 252979.7875 221634.5775 -1 140 227.95989955231545 3.3166084 16440.67375 17197.6575 0.0 0.0 -1 141 279.0592001778712 3.3235333 13854.334 14102.4925 0.0 0.0 16 142 338.10879131481295 3.3376334 0.0 0.0 13155.89 0.0 16 143 427.12655414683854 3.3376334 0.0 0.0 15359.23825 0.0 -1 144 510.1829772658847 3.34115 0.0 0.0 0.0 17482.1 16 145 428.11891319497687 3.3887832 0.0 34097.0625 0.0 0.0 16 146 283.0844953165966 3.3931668 0.0 0.0 0.0 18848.0825 17 147 299.076537947216 3.3932598 17592.0275 72515.80025 0.0 0.0 -1 148 188.0558698558908 3.4127185 102393.501 33367.5625 0.0 43520.29675 5 148.0 N-ACETYL-DL-GLUTAMIC ACID 149 417.1031192578657 3.4173584 0.0 0.0 0.0 171931.7225 11 150 157.0137208641791 3.4216666 35297.6725 0.0 0.0 0.0 -1 151 175.02426445945224 3.4216666 26642.315 0.0 0.0 0.0 -1 152 128.03483206810057 3.4975834 0.0 19357.345 0.0 0.0 -1 153 389.107928268466 3.4981833 0.0 0.0 0.0 12680.711 -1 153.0 Deacetylasperulosidic acid 154 181.0711946932322 3.499129 0.0 0.0 0.0 82172.66100000001 6 154.0 Spectral Match to Dulcitol from NIST14 155 167.07076991550073 3.5078166 0.0 0.0 0.0 12779.1455 -1 156 229.07116449741457 3.5078166 0.0 0.0 0.0 18019.9825 -1 157 224.05584246171915 3.5101979 166272.2075 111415.755 265687.865 201258.15 -1 157.0 Madurastatin B2 158 194.04517579040763 3.5137749 0.0 0.0 19851.0425 18164.94 -1 159 323.980758793017 3.5185165 0.0 0.0 22008.26375 13727.296 -1 160 417.1031244283464 3.5503209 0.0 0.0 0.0 100002.983 11 161 243.0504114435401 3.63265 0.0 0.0 0.0 48109.59 -1 162 265.08267086505225 3.6427999 0.0 0.0 42217.6675 39887.235 -1 163 199.06057341944896 3.688 0.0 0.0 0.0 14480.9365 -1 164 356.134749942328 3.703332 321938.0675 128107.55125 112396.775 137348.6875 19 165 419.1298477158531 3.7040455 206745.51 93970.79 97019.9675 80617.23725 -1 166 194.08204788413832 3.7056668 16293.1455 0.0 0.0 0.0 -1 167 535.153498026724 3.7377152 111397.44825 81042.4775 38004.2475 87531.1275 -1 168 267.0728731788562 3.7380428 522056.105 415284.2675 382438.87 681383.625 29 168.0 INOSINE 169 460.0941949935822 3.7703612 84703.056 80846.66075 96214.98025 0.0 -1 170 597.3036309634889 3.795014 66860.95375 33804.39 138211.4785 105111.415 24 170.0 PI(18:1/0:0); [M-H]- C27H50O12P1 171 595.2880331927124 3.8294923 42643.558 16674.34 100379.32275 25331.371 24 171.0 PI(18:2/0:0); [M-H]- C27H48O12P1 172 569.272570164922 3.881628 54531.86675 13736.835 0.0 14643.2575 24 173 443.1039304657232 3.904469 52618.115 38362.2335 64761.41900000001 0.0 6 174 460.0941466113717 3.9059274 195207.26 178329.91749999998 238257.2475 71299.10875 -1 175 609.1454009958121 3.9169166 0.0 0.0 0.0 15604.004 -1 175.0 Massbank:FIO00597 Rutin 176 380.1555981491749 3.9310918 0.0 0.0 0.0 52818.041 -1 177 460.0942179014989 3.9996758 43486.9545 35551.391 64817.189 0.0 -1 178 174.04027048930095 4.0048795 142811.7225 19509.31 132581.2175 179125.02750000003 7 178.0 N-Acetyl-L-aspartic acid - 40.0 eV 179 164.0712777998749 4.019053 102771.8185 53655.0875 82941.04999999999 176234.1375 22 180 267.07236610771326 4.021375 0.0 0.0 0.0 45649.9575 29 180.0 INOSINE 181 243.06154493732188 4.062987 33624.54775 36402.2675 13338.002 0.0 -1 182 130.08675740473896 4.075868 31568.949 31962.451 53841.345 82094.4455 -1 183 438.1249847087367 4.075875 0.0 0.0 0.0 80105.8865 -1 184 255.0538490124228 4.1011667 0.0 0.0 0.0 18679.11 17 185 610.1254175638578 4.1743746 0.0 0.0 0.0 38327.78125 -1 186 130.08674229975747 4.2527947 0.0 0.0 13323.99325 42514.4135 -1 187 438.12520688369233 4.313937 0.0 0.0 0.0 279985.815 -1 188 157.03625348981768 4.3502917 13784.9125 0.0 19257.515 115145.6075 -1 188.0 ALLANTOIN 189 543.1574238804784 4.3728666 0.0 0.0 0.0 28779.7475 6 190 151.0607771303458 4.3767834 0.0 0.0 0.0 42502.3625 6 190.0 xylitol CollisionEnergy:102040 191 335.04897978800653 4.3777795 80808.1375 89080.9025 110991.29750000002 156600.459 6 192 167.0207355171104 4.3789964 809144.85 743235.285 824143.8 1048375.29 6 192.0 URIC ACID 193 421.1347911525265 4.3812447 0.0 0.0 0.0 82018.08 6 194 438.124941265219 4.395296 0.0 0.0 0.0 162569.3525 6 195 203.082047588306 4.41425 0.0 29520.63975 14238.751 43732.716 -1 195.0 TRYPTOPHAN 196 282.0836542603278 4.5568447 62077.2775 0.0 67293.902 80312.89749999999 29 196.0 GUANOSINE 197 628.1710371025724 4.55798 19042.055 0.0 34110.2185 35773.40875 -1 198 144.04477615488602 4.564833 0.0 0.0 0.0 20554.746 -1 199 188.034766919081 4.564833 0.0 0.0 0.0 16626.2825 8 200 524.1255615283701 4.6126666 0.0 0.0 15280.538 0.0 -1 201 367.104630367268 4.635317 0.0 0.0 0.0 15561.895 12 202 299.0802359566191 4.64185 0.0 0.0 0.0 33989.4525 17 203 779.2247774857598 4.667946 0.0 0.0 0.0 583259.9575 11 204 452.10414488542216 4.6702 0.0 0.0 0.0 192719.31 11 205 817.1808010064028 4.6849084 0.0 0.0 0.0 31846.840750000003 11 206 389.1080301124976 4.6864667 0.0 0.0 0.0 1256037.125 11 206.0 Deacetylasperulosidic acid 207 569.1715496717898 4.696128 0.0 0.0 0.0 87699.1445 11 208 367.1047812773522 4.6997166 0.0 0.0 0.0 16340.84875 12 209 432.0990540283325 4.797717 158257.805 493060.1875 409367.09 159962.23075 6 210 116.07132090455258 4.821183 0.0 0.0 0.0 16192.91 -1 211 217.08229331545024 4.82535 0.0 0.0 0.0 17194.62 -1 212 129.01873958262698 4.8818 13955.3565 0.0 0.0 0.0 -1 213 194.9962343263711 4.8943667 17845.041 14984.005 0.0 0.0 -1 214 114.05555697742427 4.9093885 116087.16875 43974.321500000005 85551.5875 116719.4625 -1 215 210.08781467637203 4.9962997 0.0 0.0 32531.27925 0.0 21 216 468.1103896237901 5.018025 51358.41 0.0 18495.455 18906.345 -1 217 432.0989539075161 5.0298166 0.0 26644.041 0.0 0.0 -1 218 181.0713761240362 5.0403976 157476.0725 208283.5175 445378.93750000006 291426.6 6 218.0 D-Sorbitol CollisionEnergy:102040 219 128.95890600082953 5.1037683 16487.015 12763.2675 28082.075 107931.355 -1 220 296.8814541278168 5.105021 0.0 0.0 0.0 88897.61125 -1 221 380.84315282991287 5.1079917 0.0 0.0 0.0 35539.718250000005 -1 222 181.071272950755 5.1460285 55730.905 89018.4325 49122.9835 610461.715 6 222.0 Sorbitol - 40.0 eV 223 101.02381629960816 5.1541 0.0 0.0 0.0 27699.495000000003 -1 224 163.06056434534895 5.1541 0.0 0.0 0.0 38223.35125000001 -1 225 499.0703057881917 5.163438 77269.63249999999 78476.38500000001 110176.14 34316.6275 6 226 443.1038964799561 5.165685 110073.6825 48931.53525 117200.426 0.0 6 227 369.1029343285206 5.1687927 172336.3075 111133.0415 184959.4475 31921.58125 -1 228 341.1079301552493 5.1698203 448145.875 291080.1225 484850.825 134326.616 6 228.0 SUCROSE 229 415.1087980866248 5.1698203 2355847.625 1465000.0499999998 2532130.5 719515.6224999999 6 229.0 CHEMBL1513915 230 459.13419593571984 5.17145 13302.8935 0.0 32450.8825 0.0 6 231 460.09400170064487 5.1739388 15402.59 16423.375 15772.36625 0.0 6 232 457.1193800823472 5.174943 98389.24 25113.3825 63279.5425 0.0 6 233 432.0990695220266 5.181081 677719.7 641958.3574999999 623766.6799999999 44436.01875 6 234 166.01720005515804 5.214 0.0 0.0 0.0 38637.8825 -1 235 432.0989800342522 5.3009253 171991.0575 102342.6125 174155.47 31841.1795 -1 236 415.1086843110904 5.315473 49681.408500000005 13413.6095 74264.74625 0.0 6 237 405.0798284861695 5.3195 0.0 0.0 13015.36125 0.0 -1 238 451.0281055733943 5.331683 0.0 0.0 14885.91125 0.0 -1 239 382.0996065037789 5.385739 30682.3525 66049.54 0.0 114485.9305 -1 240 432.09896431613015 5.3880396 209114.1725 165888.0825 308830.07 112946.45875 6 241 415.1085318941266 5.389007 75862.025 36558.775 117313.3975 27404.98375 6 242 145.01354159582584 5.389917 12611.74 0.0 0.0 0.0 -1 243 515.1248383471799 5.3930335 26476.872 0.0 0.0 0.0 6 244 405.0796264643786 5.393487 78010.26 37295.836 102197.98 0.0 -1 245 424.03098378026766 5.456037 93018.5625 110259.04375 95193.77 65887.65275000001 -1 246 367.1047873594568 5.4570303 52197.193750000006 90087.7675 87922.03374999999 65106.21000000001 -1 247 412.0307193028139 5.458311 32396.385 14716.203 0.0 0.0 -1 248 176.05600561949558 5.4596334 0.0 0.0 34057.015 0.0 -1 249 101.02411049907369 5.461233 12633.745 0.0 0.0 0.0 -1 250 187.1083709787572 5.461539 50504.367 90111.21875 91116.26625 119196.33575 -1 251 405.1022514486804 5.463267 0.0 0.0 0.0 16114.6675 11 252 129.01861385255603 5.4634666 0.0 0.0 0.0 17459.405 -1 253 147.0294478207034 5.464097 27563.6185 0.0 13045.9225 34464.00925 10 254 305.0172190765626 5.476954 195206.06250000003 82412.765 246703.1575 541433.3675 -1 255 111.0194704191449 5.477995 84726.66900000001 16629.4325 105925.851 226213.835 -1 256 217.0824040021517 5.5011115 0.0 0.0 59946.0125 36665.4225 6 257 277.05565971217914 5.5685334 0.0 0.0 0.0 16001.7295 -1 258 196.0720240373712 5.58455 0.0 0.0 21587.9075 0.0 21 258.0 N-Acetyl-L-histidine 259 551.1614849862333 5.6060915 0.0 0.0 0.0 38594.055 -1 260 283.10253817634674 5.7462 0.0 0.0 0.0 13796.0075 -1 261 156.02736476117448 5.758633 0.0 0.0 13678.16125 0.0 -1 262 248.9600051669244 5.7871222 59463.27425 0.0 15052.72 12616.4075 -1 263 118.05035977699346 5.8386555 21472.01375 19332.004 17668.1875 60302.224 -1 264 259.0907503601495 5.8413315 222311.145 78882.0525 0.0 98715.20875 6 265 460.1664679318693 5.8587503 72300.924 19763.4175 0.0 86823.755 6 266 265.0472798894507 5.858887 93592.4675 31094.098250000003 0.0 61124.09825 6 267 271.00329828652764 5.8667593 15514.28 49430.9725 92933.8675 22473.17 6 268 124.00674032888124 5.8679786 143764.165 193826.1225 284606.025 237165.68 -1 269 466.1233082645099 5.868708 38748.8475 23921.495 32581.285 177650.98249999998 6 270 118.05014916974848 5.9411335 0.0 0.0 0.0 25251.629 -1 271 351.066157153057 5.955333 0.0 30456.3225 0.0 0.0 -1 272 164.03809929373168 5.9858584 283509.205 185071.1 249044.7125 14102.8025 -1 273 347.07438732956035 6.0060782 0.0 0.0 0.0 244166.72 6 274 223.04523296205983 6.0157833 0.0 0.0 0.0 21163.8375 -1 275 147.02954730833488 6.016025 12571.5615 0.0 12874.7655 30473.73225 -1 276 196.06061180570688 6.016033 0.0 0.0 0.0 118273.615 31 277 203.1031963567522 6.0169616 0.0 0.0 12950.2655 45737.9675 -1 278 573.1586869662842 6.0181003 0.0 0.0 0.0 205404.7925 -1 279 153.86829758795886 6.0183167 28783.375 0.0 0.0 0.0 -1 280 160.8416075252179 6.020707 121710.7875 100337.04975 108009.02 94924.639 -1 281 162.83880315898347 6.0247035 124146.54 103391.4325 112689.765 95021.77375 -1 282 567.1328594557078 6.026056 75193.89 85082.2575 162438.015 46900.0715 6 283 164.83651664061142 6.028525 45355.10275 14292.4575 26855.715 0.0 -1 284 341.1080752584267 6.030564 56952.9025 19877.205 95850.4975 69432.76550000001 -1 284.0 SUCROSE 285 369.1302497421924 6.031767 0.0 0.0 0.0 19533.8775 27 286 380.0857909089604 6.0329294 59887.87 25372.4225 124439.6325 112715.98275 6 287 377.0853877019091 6.0334697 1352245.5225 770494.855 1937566.55 1748797.375 6 287.0 sucrose 288 195.81007549199188 6.043524 238139.7425 172564.5725 149534.6875 135039.49 31 289 85.0288472850776 6.044833 0.0 0.0 0.0 55756.240000000005 -1 290 351.08799735586126 6.0465736 83931.63124999999 0.0 0.0 20230.8125 -1 291 349.0902138225881 6.0477557 217932.6125 0.0 0.0 65611.9075 6 292 197.8074497387195 6.054078 295015.705 281557.8325 184476.2275 168542.285 31 293 199.80439376830344 6.0627675 150723.98 73772.3475 95397.91625 116707.545 -1 294 255.8216864715141 6.079925 0.0 13598.672 13552.775 0.0 18 295 257.81861162176403 6.079925 0.0 13957.953 13842.78 0.0 18 296 281.08741257016163 6.1120167 0.0 0.0 0.0 51781.7925 -1 297 567.1324168546579 6.1245666 0.0 0.0 14771.1325 0.0 6 298 377.0854177368436 6.134367 228932.23375 209084.4575 249947.715 260118.7425 6 298.0 Palatinose CollisionEnergy:102040 299 127.05073512031956 6.165503 109589.036 0.0 51690.847 114096.685 -1 300 145.06137850885108 6.168286 417558.9175 167524.09000000003 288005.605 468394.415 -1 301 313.1124922125512 6.1688643 104397.738 64707.373750000006 82153.49250000001 95832.7825 6 302 487.1775502317557 6.17469 542135.92 844201.9650000001 1054108.15 1197123.99 6 303 341.10795982306786 6.1759744 30695.8225 113902.6825 119642.1675 129322.931 6 303.0 MALTOSE 304 85.02886994359115 6.17615 0.0 0.0 0.0 17972.76375 -1 305 161.04505752833575 6.177401 19686.37 84790.70025 82746.27775000001 82843.215 -1 306 179.05560208522587 6.178625 0.0 14073.46675 14273.712 0.0 -1 307 404.1037571904742 6.1822033 87360.186 283026.3225 235234.265 164841.8725 6 308 683.2247494213096 6.185875 0.0 58549.471000000005 20496.185 0.0 6 308.0 PALATINOSE 309 533.1351576222935 6.1863747 0.0 0.0 0.0 39399.19625 6 310 337.076704021333 6.2700667 0.0 0.0 0.0 14457.0875 -1 311 285.0815198256679 6.274747 43700.63275 0.0 0.0 39065.3825 6 312 131.04576483269466 6.279371 28107.40225 0.0 0.0 50199.8625 -1 313 473.1622238214856 6.294035 55163.22325 42328.0415 0.0 156258.865 6 314 230.1140651678797 6.3078 0.0 0.0 0.0 21414.01 6 315 85.02880262464393 6.31735 0.0 0.0 0.0 14025.581 -1 316 231.05892086463408 6.3180666 0.0 0.0 16030.90925 0.0 6 317 314.1243286941705 6.3269167 0.0 0.0 0.0 13478.0775 19 318 446.151054532339 6.3333964 127854.355 143166.11500000002 229569.1125 174111.50499999998 6 319 369.1298211998426 6.3335333 0.0 0.0 0.0 17533.71 27 320 341.10795574462634 6.3776975 24169.825 116840.48750000002 114059.671 103982.191 6 320.0 MALTOSE 321 161.04510410260008 6.3806043 20734.205 112569.6085 104838.581 92595.15 -1 322 683.2247429059362 6.3815837 30887.3575 235437.5325 164039.5125 151129.1125 6 322.0 PALATINOSE 323 404.1038655823881 6.382323 0.0 293387.9525 85544.11 279649.65 6 324 377.0853176704404 6.3833137 20771.51375 59151.018500000006 29016.495 59255.7725 6 324.0 maltose CollisionEnergy:102040 325 221.06585296417336 6.3838334 0.0 0.0 19977.1915 0.0 6 326 179.05543279200992 6.383917 0.0 0.0 20647.1475 15796.246 -1 327 102.05554943706493 6.4241996 18529.29875 17437.425 15302.169 33740.40375 -1 328 128.0348326127384 6.425373 74250.644 26237.285 56074.8355 50750.735 -1 329 852.2605059727284 6.42592 0.0 49450.331000000006 0.0 31771.561 6 330 146.0453959072269 6.429987 639427.3300000001 507633.6 718575.91 578192.76 -1 331 541.1171038177423 6.431733 0.0 0.0 37230.8575 0.0 6 332 223.04526313136947 6.4318833 0.0 0.0 0.0 20504.52 -1 333 488.1618629347416 6.4328423 952016.925 737143.91 1064552.455 825981.5325 6 334 179.05555411847763 6.4345336 16977.035 18844.625 32096.18325 43304.87875 -1 335 511.1430137507941 6.439658 0.0 0.0 0.0 56614.48625 6 336 533.1351540532298 6.439658 0.0 0.0 0.0 64918.89 6 337 467.1167526783238 6.439775 0.0 0.0 19440.209 12646.1175 6 338 377.0853413433481 6.4412994 246545.2125 221319.7125 273944.53250000003 237501.9625 6 338.0 maltose CollisionEnergy:102040 339 431.1042339825117 6.4426746 0.0 0.0 0.0 25596.5185 6 340 719.2019545797923 6.442898 13809.38 13262.746 42854.11375 26771.4365 6 341 341.1080955681797 6.457898 2851404.175 1355745.3099999998 3223065.0 1866777.45 6 341.0 sucrose 342 387.1136618915369 6.457898 9081696.75 4386096.675 9824835.625 5972544.0 6 342.0 sucrose 343 683.2249539098053 6.4584427 121760.96625 69641.5335 131936.08299999998 83972.51250000001 6 344 390.1218790278056 6.4588284 51853.0125 0.0 74809.58875 0.0 -1 345 729.2302300017724 6.4595413 229484.535 118583.256 241901.405 144828.05375 6 346 446.15107530207285 6.461315 62649.12975 0.0 48647.84775 52434.068 6 347 473.16252597984845 6.473417 0.0 0.0 0.0 12726.4675 6 348 447.1374213141028 6.47365 0.0 0.0 0.0 13375.94325 6 349 404.1039498471663 6.4754333 826483.9224999999 874047.5525 833590.45 757459.8875 6 350 179.05550223928677 6.5288167 0.0 0.0 0.0 14525.167 -1 351 377.0852297507381 6.6390166 0.0 0.0 0.0 33826.957500000004 -1 351.0 melibiose CollisionEnergy:102040 352 214.04814591062063 6.6682 0.0 30053.34675 0.0 0.0 -1 353 306.07624420267746 6.683367 0.0 0.0 15562.1465 0.0 -1 353.0 Glutathione 354 165.03984875364597 6.7459664 0.0 0.0 0.0 16116.3995 -1 355 179.05550389368108 6.7470417 0.0 0.0 0.0 36260.36525 -1 356 404.1037504816566 6.7487497 0.0 0.0 0.0 212068.38 6 357 341.10784945223566 6.7492 0.0 0.0 0.0 35923.94 6 357.0 Gentiobiose 358 377.0850790905292 6.7492 0.0 0.0 0.0 33144.5035 6 358.0 melibiose CollisionEnergy:102040 359 566.1565289752311 6.7732 0.0 0.0 0.0 15390.3975 -1 360 243.01754702128204 6.8341208 73467.066 0.0 0.0 0.0 -1 361 549.1665078936674 6.8809843 0.0 74112.9715 99553.1465 98138.645 6 361.0 maltotriose 362 566.1567208219295 6.8828635 15846.5225 216476.2475 298524.85250000004 254061.6725 6 363 503.16101714867375 6.8843307 0.0 37004.1975 31508.8585 49103.69 -1 363.0 ReSpect:PT205480 Maltotriose|Amylotriose|alpha-1,4-Glucotriose|Triomaltose|O-alpha-D-glucopyranosyl-O-alpha-D-glucopyranosyl-D-glucose|(Glc(alpha1-4)Glc(alpha1-4)Glc)|(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy 364 669.2088742149062 6.8851833 0.0 0.0 0.0 14038.8145 6 365 337.077016568431 6.8977365 150389.0275 109388.032 32326.832500000004 92719.8175 -1 365.0 129499-78-1 366 566.156561804381 6.9667916 0.0 32228.87 27146.4375 0.0 -1 367 267.0713044932404 7.0074997 0.0 0.0 0.0 98439.61 -1 368 243.0175912669956 7.0202 15267.86325 0.0 0.0 0.0 -1 369 539.1377776447937 7.053332 42093.057 28404.34175 55845.43075000001 13109.03125 6 369.0 Melezitose 370 1007.3307357121904 7.0553904 16513.0975 50903.8975 72968.2415 25428.015 6 371 549.1666558285273 7.055967 200268.8025 178963.31875000003 266136.36250000005 174250.9525 6 371.0 maltotriose 372 503.1611043196567 7.056547 116371.4525 124670.1775 160113.4725 111126.2005 6 372.0 RAFFINOSE 373 566.1567883782691 7.056547 550033.205 556445.73 695003.025 420932.4275000001 6 374 639.1984132458687 7.0575333 0.0 0.0 0.0 12670.28125 6 375 376.10095579196246 7.0580783 59597.3 32363.82 152499.57 138657.475 -1 376 636.1987491589397 7.0582223 0.0 17903.07 0.0 39195.27375 6 377 669.2090822640757 7.059758 0.0 0.0 0.0 54912.4325 6 378 404.1037971182775 7.1490583 13200.2375 0.0 15766.19425 0.0 -1 379 539.1376228314792 7.213836 25779.4715 13747.68 28334.244 13135.5605 6 380 341.10772029317184 7.2142 13601.212 0.0 18302.6975 0.0 -1 381 1007.3304722686656 7.2189083 12530.02925 0.0 19592.0375 0.0 6 382 503.1611182989061 7.224993 123086.455 98489.1125 141445.50400000002 70564.1775 6 382.0 RAFFINOSE CollisionEnergy:102040 383 566.1568050838798 7.232582 431259.5725 315498.565 461837.49 246059.38750000004 6 384 549.1666816899316 7.24799 187287.2225 84371.61750000001 171094.495 65380.4925 6 384.0 maltotriose 385 243.01747958499703 7.2602334 29405.785 27302.975 0.0 0.0 -1 386 353.0719736718401 7.381283 0.0 0.0 0.0 79016.95925 -1 387 728.2101972558147 7.3987937 0.0 22552.1025 53565.209 47400.7635 -1 388 665.2143682537479 7.400247 0.0 19948.68 63010.439 59690.755000000005 6 388.0 maltotetraose 389 331.11350343417365 7.46043 29581.396500000003 0.0 66454.60875000001 0.0 -1 390 154.06172597466596 7.46527 372172.5225 228257.975 582377.49 158205.44825000002 22 390.0 L-histidine 391 711.219701545415 7.554122 0.0 19532.46 51677.7475 59253.165 6 391.0 maltotetraose 392 665.2146918705007 7.555325 0.0 12704.044 0.0 13569.5245 6 392.0 maltotetraose 393 728.210304049564 7.558983 0.0 22925.004 14434.65925 33909.230500000005 -1 394 665.2144782338838 7.6589665 13751.8175 0.0 0.0 0.0 6 394.0 maltotetraose 395 154.06169743269285 7.675626 124884.54875 78459.5375 48037.6325 41916.0165 22 396 131.08221250719097 7.6823187 72391.88425 0.0 34456.0975 41770.7005 -1 397 521.3273246910464 7.6840444 31409.685 0.0 15735.4925 0.0 -1 398 173.10395175344638 7.6845536 120029.645 50266.8935 94459.92 82185.99 6 399 154.0616812406937 7.8202085 57914.8775 16179.9675 123975.9875 0.0 22 400 145.0977860469393 7.8258553 108713.375 49991.380000000005 171489.075 81420.09625 -1 401 195.0503885530922 7.8264165 0.0 0.0 0.0 130324.4675 -1 401.0 1726059 - 40.0 eV 402 165.0398028737673 7.828483 0.0 0.0 0.0 37173.41 -1 403 171.00600177800553 7.8455634 39361.8725 0.0 87459.19750000001 22669.4475 -1 404 171.00592826118296 7.9485 33710.9415 0.0 20274.4925 0.0 -1 405 154.06166983247007 7.98075 0.0 0.0 22720.7675 0.0 22 406 195.05045159730776 7.9821835 0.0 0.0 0.0 17578.3625 -1 406.0 1726059 - 40.0 eV 407 131.08210329472166 7.9839334 0.0 13718.16 26491.041 0.0 -1 408 333.0587423397049 8.207429 0.0 113885.745 0.0 15323.047 -1 409 158.97797888260817 9.841453 41830.085 0.0 13250.72175 39538.34375 -1 410 289.9483832120276 9.841567 13585.6065 0.0 0.0 0.0 39 411 272.9585951265392 9.841882 84503.409 29093.1055 76481.96175 79326.55475000001 39 nf_output/networking/merged_pairs.tsv0000644000000000000000000005253214767266370017216 0ustar rootrootCLUSTERID1 CLUSTERID2 DeltaMZ MinRatio Cosine AlignScore2 AlignScore3 2 5 28.031 0.000 0.9561 0.7440 1 2 23 84.094 0.000 0.8410 0.6361 1 2 46 112.126 0.000 0.8585 0.5854 1 3 10 -28.032 0.000 0.8426 0.5641 1 3 15 -2.015 0.000 0.8620 0.6535 1 3 16 -0.001 0.000 0.9477 0.7046 1 4 12 225.173 0.000 0.8090 0.3958 1 5 23 56.063 0.000 0.8627 0.6719 1 5 46 84.094 0.000 0.8814 0.6664 1 5 178 140.157 0.000 0.7341 0.5102 1 7 52 16.031 0.000 0.8222 0.6394 1 9 148 84.094 0.000 0.7543 0.4364 1 10 15 26.017 0.000 0.8397 0.6446 1 10 16 28.031 0.000 0.8686 0.6154 1 11 74 13.031 0.000 0.7123 0.2828 1 12 81 1.908 0.000 0.7758 0.4219 1 12 104 1.908 0.000 0.7388 0.3885 1 14 17 -15.995 0.000 0.8263 0.4891 1 14 18 -60.021 0.000 0.7790 0.3734 1 14 184 38.125 0.000 0.7480 0.2944 1 14 202 -5.902 0.000 0.7667 0.2655 1 15 16 2.015 0.000 0.8746 0.6535 1 17 18 -44.026 0.000 0.8074 0.4178 1 18 20 -44.027 0.000 0.7148 0.3424 1 19 77 -44.026 0.000 0.8030 0.5463 1 23 46 28.031 0.000 0.8523 0.6550 1 23 178 84.094 0.000 0.7053 0.4623 1 24 45 -44.026 0.000 0.7009 0.3955 1 26 49 0.984 0.000 0.7461 0.5130 1 26 65 3.083 0.000 0.7390 0.4024 1 29 52 -34.042 0.000 0.7052 0.5630 1 29 64 -39.011 0.000 0.7410 0.4641 1 29 95 -35.999 0.000 0.7042 0.4658 1 31 39 -1.159 0.000 0.7853 0.7577 1 32 45 -0.000 0.000 0.7808 0.4631 1 36 38 93.065 0.000 0.8061 0.4646 1 41 42 26.016 0.000 0.8531 0.6999 1 41 66 176.193 0.000 0.7115 0.3466 1 41 88 264.245 0.000 0.9257 0.3922 1 41 97 264.245 0.000 0.9268 0.5192 1 42 50 28.031 0.000 0.8948 0.6319 1 42 88 238.229 0.000 0.7749 0.4006 1 42 97 238.229 0.000 0.7769 0.5130 1 46 178 56.062 0.000 0.7841 0.4702 1 47 50 14.016 0.000 0.7186 0.5931 1 49 62 14.016 0.000 0.7371 0.7636 1 49 65 2.099 0.000 0.7074 0.5680 1 50 51 28.031 0.000 0.8937 0.6556 1 50 98 238.229 0.000 0.8901 0.6534 1 50 99 238.230 0.000 0.9085 0.5388 1 51 99 210.198 0.000 0.7230 0.4890 1 52 64 -4.970 0.000 0.7277 0.4743 1 52 199 13.041 0.000 0.7893 0.5292 1 53 316 -8.983 0.000 0.7346 0.4041 1 53 346 -224.075 0.000 0.7718 0.6487 1 55 106 -150.053 0.000 0.7934 0.3029 1 55 339 -27.980 0.000 0.9150 0.5276 1 60 77 14.015 0.000 0.7452 0.4274 1 62 79 14.015 0.000 0.9476 0.7275 1 62 112 -58.042 0.000 0.7767 0.4129 1 62 131 28.031 0.000 0.9101 0.5714 1 66 97 88.052 0.000 0.7055 0.3887 1 67 70 26.015 0.000 0.9118 0.6629 1 67 215 152.156 0.000 0.8093 0.3873 1 67 258 166.172 0.000 0.8003 0.4687 1 68 69 -1.005 0.000 0.7329 0.4145 1 69 253 14.015 0.000 0.7008 0.3867 1 70 215 126.141 0.000 0.8291 0.4357 1 70 258 140.157 0.000 0.7851 0.4701 1 71 154 -30.011 0.000 0.7460 0.2938 1 71 190 -0.000 0.000 0.9049 0.6350 1 71 218 -30.011 0.000 0.8987 0.6014 1 71 222 -30.011 0.000 0.7636 0.4665 1 71 325 -70.005 0.000 0.7639 0.4962 1 72 128 27.995 0.000 0.8134 0.5995 1 72 149 42.011 0.000 0.7067 0.5546 1 72 160 42.011 0.000 0.7377 0.5903 1 73 75 28.032 0.000 0.7243 0.4198 1 75 76 28.031 0.000 0.8123 0.3084 1 79 112 -72.058 0.000 0.7745 0.4237 1 79 131 14.015 0.000 0.9044 0.5669 1 81 86 -2.015 0.000 0.7636 0.3834 1 81 104 -0.000 0.000 0.9144 0.5365 1 83 107 -46.042 0.000 0.8902 0.7501 1 83 109 -0.000 0.000 0.8704 0.6579 1 85 86 2.017 0.000 0.7349 0.3928 1 86 104 2.015 0.000 0.7784 0.4468 1 87 93 0.036 0.000 0.9614 0.7242 1 87 95 2.016 0.000 0.8823 0.5161 1 88 97 -0.000 0.000 0.8881 0.3681 1 88 98 28.031 0.000 0.7209 0.3684 1 88 99 28.031 0.000 0.7677 0.3660 1 88 101 26.016 0.000 0.9077 0.4117 1 88 111 54.047 0.000 0.7310 0.3829 1 89 94 -0.997 0.000 0.9061 0.7783 1 89 96 -1.990 0.000 0.8258 0.7092 1 89 104 58.005 0.000 0.7124 0.4155 1 90 91 -44.008 0.000 0.7933 0.6828 1 93 95 1.981 0.000 0.8857 0.5106 1 94 96 -0.993 0.000 0.8772 0.7613 1 95 96 -44.003 0.000 0.7501 0.6033 1 97 98 28.031 0.000 0.8197 0.5114 1 97 99 28.031 0.000 0.8506 0.5259 1 97 101 26.016 0.000 0.9534 0.5697 1 97 111 54.047 0.000 0.7411 0.3526 1 98 99 0.000 0.000 0.9526 0.5598 1 98 101 -2.015 0.000 0.8032 0.7006 1 98 102 -3.018 0.000 0.8953 0.6585 1 99 101 -2.015 0.000 0.8029 0.5237 1 99 102 -3.019 0.000 0.8432 0.5015 1 101 102 -1.003 0.000 0.9548 0.7101 1 101 111 28.031 0.000 0.7570 0.4193 1 103 117 -0.001 0.000 0.8151 0.5695 1 107 109 46.041 0.000 0.8573 0.6762 1 108 361 -35.948 0.000 0.7635 0.6822 1 108 371 -35.948 0.000 0.7242 0.6635 1 108 384 -35.948 0.000 0.7736 0.6641 1 108 391 -198.001 0.000 0.7205 0.5667 1 112 131 86.073 0.000 0.8072 0.4012 1 113 192 -15.995 0.000 0.8189 0.3725 1 116 341 -42.032 0.000 0.7265 0.5998 1 116 357 -42.031 0.000 0.7395 0.5811 1 128 149 14.016 0.000 0.8740 0.7121 1 128 206 42.011 0.000 0.8395 0.7032 1 128 341 90.011 0.000 0.7191 0.4804 1 134 342 38.052 0.000 0.8465 0.6856 1 134 371 -124.001 0.000 0.7286 0.6034 1 137 142 170.094 0.000 0.9430 0.4177 1 137 144 -1.980 0.000 0.9260 0.3793 1 137 145 80.084 0.000 0.9485 0.4008 1 141 142 -59.050 0.000 0.9198 0.5857 1 141 145 -149.060 0.000 0.9146 0.4265 1 142 145 -90.010 0.000 0.9366 0.4584 1 144 145 82.064 0.000 0.9271 0.4364 1 146 184 28.031 0.000 0.7150 0.2983 1 146 202 -15.996 0.000 0.7371 0.2852 1 149 160 0.000 0.000 0.7599 0.5969 1 149 206 27.995 0.000 0.8713 0.6312 1 149 207 -152.068 0.000 0.7362 0.6051 1 154 190 30.010 0.000 0.7309 0.2837 1 154 218 -0.000 0.000 0.7766 0.3298 1 154 222 -0.000 0.000 0.7751 0.3298 1 160 206 27.995 0.000 0.8586 0.5966 1 160 207 -152.068 0.000 0.7912 0.6729 1 164 317 42.010 0.000 0.7835 0.2360 1 168 180 0.001 0.000 0.8024 0.4078 1 168 196 -15.011 0.000 0.8626 0.4019 1 170 171 2.016 0.000 0.8505 0.5802 1 170 172 28.031 0.000 0.8316 0.4823 1 171 172 26.015 0.000 0.8302 0.4796 1 173 225 -55.966 0.000 0.7509 0.5651 1 173 226 0.000 0.000 0.9255 0.5670 1 173 229 27.995 0.000 0.9311 0.6132 1 173 236 27.995 0.000 0.8536 0.5078 1 173 241 27.995 0.000 0.8518 0.5331 1 173 286 63.018 0.000 0.7962 0.4562 1 173 287 66.019 0.000 0.8148 0.5276 1 173 342 55.990 0.000 0.8411 0.5231 1 173 343 -240.121 0.000 0.8189 0.4628 1 173 345 -286.126 0.000 0.7297 0.4731 1 174 235 27.995 0.000 0.7199 0.2026 1 179 390 10.010 0.000 0.7759 0.4166 1 184 202 -44.026 0.000 0.7662 0.3177 1 189 191 208.108 0.000 0.9389 0.5537 1 189 194 105.032 0.000 0.7536 0.2231 1 190 218 -30.011 0.000 0.8933 0.6195 1 190 222 -30.010 0.000 0.7753 0.4879 1 190 228 -190.047 0.000 0.7113 0.3874 1 190 325 -70.005 0.000 0.7346 0.5352 1 190 341 -190.047 0.000 0.7494 0.5980 1 190 357 -190.047 0.000 0.7063 0.4597 1 191 301 21.936 0.000 0.7755 0.4786 1 192 266 -98.027 0.000 0.7865 0.3476 1 193 228 80.027 0.000 0.8427 0.5261 1 193 298 44.049 0.000 0.8647 0.5778 1 193 341 80.027 0.000 0.9072 0.5722 1 193 342 34.021 0.000 0.7238 0.6043 1 193 357 80.027 0.000 0.7510 0.5194 1 193 358 44.050 0.000 0.7568 0.5285 1 193 372 -82.026 0.000 0.7359 0.4260 1 193 382 -82.026 0.000 0.7196 0.4204 1 194 233 6.026 0.000 0.7478 0.1712 1 194 307 34.021 0.000 0.7082 0.1709 1 194 349 34.021 0.000 0.7552 0.2026 1 201 208 -0.000 0.000 0.7988 0.5627 1 203 204 327.121 0.000 0.8745 0.6634 1 203 205 -37.956 0.000 0.9170 0.6779 1 203 207 210.053 0.000 0.9476 0.7516 1 204 349 48.000 0.000 0.7335 0.3063 1 204 373 -114.053 0.000 0.7325 0.3070 1 205 207 248.009 0.000 0.8936 0.6769 1 206 207 -180.064 0.000 0.7767 0.7870 1 206 251 -15.994 0.000 0.7271 0.5703 1 209 356 27.995 0.000 0.8354 0.2447 1 209 362 -134.058 0.000 0.7718 0.2269 1 209 373 -134.058 0.000 0.8275 0.2297 1 209 383 -134.058 0.000 0.8476 0.2989 1 215 258 14.016 0.000 0.7856 0.3824 1 217 323 27.995 0.000 0.7408 0.2514 1 217 349 27.995 0.000 0.7531 0.2819 1 217 373 -134.058 0.000 0.7069 0.2536 1 217 383 -134.058 0.000 0.7151 0.2564 1 218 222 0.000 0.000 0.9523 0.6641 1 218 228 -160.037 0.000 0.7199 0.4336 1 218 320 -160.037 0.000 0.7160 0.5278 1 218 325 -39.994 0.000 0.7083 0.5133 1 218 341 -160.037 0.000 0.7579 0.5626 1 218 357 -160.036 0.000 0.7411 0.5251 1 222 228 -160.037 0.000 0.7438 0.4656 1 222 320 -160.037 0.000 0.7090 0.5369 1 222 325 -39.995 0.000 0.7271 0.4776 1 222 341 -160.037 0.000 0.7834 0.5349 1 222 357 -160.037 0.000 0.7614 0.5142 1 225 226 55.966 0.000 0.7845 0.6640 1 225 229 83.962 0.000 0.7461 0.5893 1 225 236 83.962 0.000 0.7056 0.5142 1 225 241 83.962 0.000 0.7042 0.5570 1 225 343 -184.155 0.000 0.7179 0.4822 1 226 229 27.995 0.000 0.9588 0.8299 1 226 236 27.995 0.000 0.9118 0.7111 1 226 241 27.995 0.000 0.9073 0.6442 1 226 286 63.018 0.000 0.8532 0.6934 1 226 287 66.019 0.000 0.8680 0.7274 1 226 342 55.990 0.000 0.8894 0.7134 1 226 343 -240.121 0.000 0.8826 0.7141 1 226 345 -286.126 0.000 0.7880 0.7193 1 227 229 -46.006 0.000 0.7005 0.3714 1 228 298 -35.977 0.000 0.8040 0.5278 1 228 341 -0.000 0.000 0.9192 0.5478 1 228 357 0.000 0.000 0.7871 0.5136 1 228 358 -35.977 0.000 0.7040 0.4442 1 228 372 -162.053 0.000 0.7422 0.4318 1 228 382 -162.053 0.000 0.7426 0.4596 1 229 236 0.000 0.000 0.9268 0.7163 1 229 241 0.000 0.000 0.9195 0.6566 1 229 286 35.023 0.000 0.8809 0.7388 1 229 287 38.023 0.000 0.9002 0.7656 1 229 298 38.023 0.000 0.7057 0.6738 1 229 342 27.995 0.000 0.9438 0.8024 1 229 343 -268.116 0.000 0.8811 0.7630 1 229 371 -134.058 0.000 0.7034 0.7595 1 229 384 -134.058 0.000 0.7535 0.7302 1 230 231 -0.960 0.000 0.8649 0.5005 1 230 339 28.030 0.000 0.8163 0.4301 1 231 232 2.975 0.000 0.7675 0.6388 1 232 233 25.020 0.000 0.7339 0.2995 1 233 243 -83.026 0.000 0.8014 0.2819 1 233 323 27.995 0.000 0.8688 0.2779 1 233 349 27.995 0.000 0.8907 0.3135 1 233 362 -134.058 0.000 0.7445 0.1789 1 233 373 -134.058 0.000 0.8159 0.2245 1 233 383 -134.058 0.000 0.8416 0.3100 1 235 323 27.995 0.000 0.7648 0.2227 1 235 356 27.995 0.000 0.7186 0.1992 1 235 373 -134.058 0.000 0.7068 0.2101 1 236 241 0.000 0.000 0.9391 0.6723 1 236 286 35.023 0.000 0.9040 0.7084 1 236 287 38.023 0.000 0.9085 0.7020 1 236 298 38.023 0.000 0.7120 0.6086 1 236 342 27.995 0.000 0.9302 0.6995 1 236 343 -268.116 0.000 0.9097 0.7227 1 240 323 27.995 0.000 0.8050 0.2128 1 240 349 27.995 0.000 0.8185 0.2297 1 240 373 -134.058 0.000 0.7515 0.2200 1 240 383 -134.058 0.000 0.7669 0.2383 1 241 286 35.023 0.000 0.8857 0.6251 1 241 287 38.023 0.000 0.8997 0.6396 1 241 342 27.995 0.000 0.9201 0.6243 1 241 343 -268.116 0.000 0.8913 0.6284 1 241 345 -314.122 0.000 0.7105 0.6362 1 243 302 27.947 0.000 0.7047 0.2903 1 256 301 -96.030 0.000 0.7378 0.3690 1 264 266 -5.957 0.000 0.8675 0.4815 1 265 302 -27.011 0.000 0.7521 0.4469 1 265 313 -12.996 0.000 0.8155 0.4900 1 265 318 14.015 0.000 0.8182 0.5231 1 265 343 -223.059 0.000 0.8417 0.5070 1 266 269 -201.076 0.000 0.9064 0.4310 1 267 269 -195.120 0.000 0.9235 0.4280 1 269 313 -7.039 0.000 0.7896 0.2593 1 269 323 62.019 0.000 0.8828 0.2931 1 269 331 -74.994 0.000 0.7452 0.3533 1 269 333 -22.039 0.000 0.8773 0.3907 1 269 336 -67.012 0.000 0.7121 0.4036 1 269 349 62.019 0.000 0.8967 0.3322 1 273 298 -30.011 0.000 0.8072 0.5292 1 273 324 -30.011 0.000 0.7043 0.4288 1 276 288 0.251 0.000 0.7602 0.4561 1 278 298 196.073 0.000 0.7346 0.4218 1 282 297 0.000 0.000 0.7624 0.6532 1 282 369 27.995 0.000 0.8310 0.6487 1 282 370 -440.198 0.000 0.7435 0.5866 1 282 371 17.966 0.000 0.8544 0.6703 1 282 379 27.995 0.000 0.7028 0.4935 1 282 381 -440.198 0.000 0.7681 0.6436 1 282 384 17.966 0.000 0.8239 0.6559 1 284 341 0.000 0.000 0.7130 0.3091 1 285 319 0.000 0.000 0.8878 0.7432 1 286 287 3.000 0.000 0.9545 0.8462 1 286 298 3.000 0.000 0.7774 0.6665 1 286 322 -303.139 0.000 0.7314 0.7043 1 286 342 -7.028 0.000 0.9122 0.7761 1 286 343 -303.139 0.000 0.8490 0.7194 1 286 344 -10.036 0.000 0.7107 0.6975 1 286 372 -123.075 0.000 0.7040 0.5274 1 286 382 -123.075 0.000 0.7058 0.5484 1 286 384 -169.081 0.000 0.7120 0.5895 1 287 291 27.995 0.000 0.8818 0.6692 1 287 298 -0.000 0.000 0.7841 0.6748 1 287 322 -306.139 0.000 0.7430 0.7293 1 287 341 35.977 0.000 0.7081 0.5804 1 287 342 -10.028 0.000 0.9265 0.7608 1 287 343 -306.140 0.000 0.8635 0.7247 1 287 369 -162.052 0.000 0.7446 0.6181 1 287 372 -126.076 0.000 0.7148 0.5499 1 287 382 -126.076 0.000 0.7208 0.5810 1 287 384 -172.081 0.000 0.7145 0.6122 1 288 292 -1.997 0.000 0.8338 0.4706 1 294 295 -1.997 0.000 0.8052 0.5414 1 297 369 27.995 0.000 0.7722 0.5647 1 297 371 17.966 0.000 0.7154 0.5142 1 297 372 63.971 0.000 0.7019 0.5020 1 297 382 63.971 0.000 0.7019 0.5148 1 297 384 17.966 0.000 0.7371 0.5524 1 298 303 35.977 0.000 0.7024 0.5225 1 298 308 -306.139 0.000 0.7804 0.6394 1 298 320 35.977 0.000 0.7750 0.6061 1 298 322 -306.139 0.000 0.8306 0.7108 1 298 324 0.000 0.000 0.8211 0.6330 1 298 338 0.000 0.000 0.7781 0.5647 1 298 341 35.977 0.000 0.8799 0.6213 1 298 342 -10.028 0.000 0.7578 0.6710 1 298 351 0.000 0.000 0.7326 0.4828 1 298 357 35.978 0.000 0.8360 0.6121 1 298 358 0.000 0.000 0.7876 0.5142 1 298 361 -172.081 0.000 0.7407 0.6485 1 298 369 -162.052 0.000 0.7595 0.6393 1 298 371 -172.081 0.000 0.7298 0.6110 1 298 372 -126.076 0.000 0.8663 0.5987 1 298 379 -162.052 0.000 0.7355 0.4429 1 298 382 -126.076 0.000 0.8892 0.6569 1 298 384 -172.081 0.000 0.7846 0.6418 1 301 302 -174.065 0.000 0.7464 0.3635 1 302 307 83.074 0.000 0.7218 0.3308 1 302 308 -196.047 0.000 0.7286 0.7078 1 302 313 14.015 0.000 0.8919 0.6082 1 302 318 41.026 0.000 0.8921 0.7383 1 302 322 -196.047 0.000 0.7648 0.7896 1 302 323 83.074 0.000 0.7064 0.2784 1 302 333 -0.984 0.000 0.8231 0.4621 1 302 335 -23.965 0.000 0.7222 0.4223 1 302 337 20.061 0.000 0.7244 0.4798 1 302 339 56.073 0.000 0.7629 0.3919 1 302 343 -196.047 0.000 0.8561 0.6815 1 302 349 83.074 0.000 0.7140 0.3144 1 302 382 -15.984 0.000 0.7171 0.5746 1 303 320 0.000 0.000 0.8299 0.5154 1 303 324 -35.977 0.000 0.7167 0.5125 1 303 341 -0.000 0.000 0.7038 0.4273 1 303 357 0.000 0.000 0.7445 0.4494 1 303 372 -162.053 0.000 0.7169 0.5286 1 303 382 -162.053 0.000 0.7328 0.5542 1 307 313 -69.058 0.000 0.7400 0.2753 1 307 323 -0.000 0.000 0.8231 0.2695 1 307 349 -0.000 0.000 0.8363 0.2812 1 307 362 -162.053 0.000 0.7342 0.2277 1 307 373 -162.053 0.000 0.7863 0.2626 1 307 383 -162.053 0.000 0.8103 0.2948 1 308 318 237.074 0.000 0.8091 0.7313 1 308 322 0.000 0.000 0.9508 0.7852 1 308 324 306.139 0.000 0.8482 0.6975 1 308 338 306.139 0.000 0.8048 0.5417 1 308 361 134.058 0.000 0.8469 0.6566 1 308 371 134.058 0.000 0.7301 0.6074 1 308 372 180.064 0.000 0.7992 0.5692 1 308 382 180.064 0.000 0.8437 0.6104 1 308 384 134.058 0.000 0.7715 0.6215 1 308 388 18.010 0.000 0.7581 0.4607 1 308 391 -27.995 0.000 0.7038 0.4407 1 309 333 44.973 0.000 0.7780 0.5863 1 309 336 0.000 0.000 0.8398 0.6161 1 309 337 66.018 0.000 0.7518 0.4679 1 309 343 -150.090 0.000 0.7172 0.3865 1 309 346 86.984 0.000 0.7320 0.4777 1 309 356 129.031 0.000 0.7080 0.2458 1 311 313 -188.081 0.000 0.8558 0.4253 1 311 347 -188.081 0.000 0.7838 0.6329 1 313 318 27.011 0.000 0.8309 0.5837 1 313 323 69.058 0.000 0.7730 0.3078 1 313 333 -15.000 0.000 0.8296 0.3766 1 313 335 -37.981 0.000 0.7621 0.2951 1 313 337 6.045 0.000 0.7511 0.3150 1 313 339 42.058 0.000 0.7979 0.3074 1 313 340 -246.040 0.000 0.7418 0.3160 1 313 343 -210.063 0.000 0.8628 0.5605 1 313 346 27.011 0.000 0.7537 0.4403 1 313 347 -0.000 0.000 0.7502 0.3819 1 313 349 69.058 0.000 0.7833 0.3259 1 313 356 69.058 0.000 0.7069 0.2298 1 313 398 300.058 0.000 0.8112 0.3031 1 314 316 -0.945 0.000 0.7656 0.4794 1 318 322 -237.074 0.000 0.8466 0.8015 1 318 343 -237.074 0.000 0.8447 0.7020 1 318 372 -57.010 0.000 0.7635 0.5819 1 318 382 -57.010 0.000 0.7886 0.6148 1 320 322 -342.117 0.000 0.7509 0.7017 1 320 324 -35.977 0.000 0.7677 0.6466 1 320 338 -35.977 0.000 0.7169 0.4617 1 320 341 -0.000 0.000 0.7610 0.5754 1 320 357 0.000 0.000 0.7660 0.5675 1 320 361 -208.059 0.000 0.7104 0.5719 1 320 372 -162.053 0.000 0.7694 0.5157 1 320 382 -162.053 0.000 0.7978 0.5524 1 322 324 306.139 0.000 0.8740 0.7705 1 322 338 306.139 0.000 0.8338 0.5747 1 322 342 296.111 0.000 0.7021 0.7416 1 322 361 134.058 0.000 0.8788 0.7274 1 322 369 144.087 0.000 0.7287 0.5919 1 322 370 -324.106 0.000 0.7255 0.5104 1 322 371 134.058 0.000 0.7745 0.7281 1 322 372 180.064 0.000 0.8260 0.5832 1 322 381 -324.106 0.000 0.7340 0.5907 1 322 382 180.064 0.000 0.8760 0.6516 1 322 384 134.058 0.000 0.8176 0.7174 1 322 388 18.010 0.000 0.7742 0.4954 1 322 391 -27.995 0.000 0.7255 0.4795 1 322 394 18.010 0.000 0.7195 0.5251 1 323 340 -315.098 0.000 0.7900 0.2869 1 323 343 -279.121 0.000 0.7897 0.3292 1 323 349 -0.000 0.000 0.8814 0.3210 1 323 362 -162.053 0.000 0.7500 0.2088 1 323 373 -162.053 0.000 0.8160 0.2491 1 323 383 -162.053 0.000 0.8383 0.3247 1 324 338 0.000 0.000 0.8832 0.6037 1 324 357 35.977 0.000 0.7345 0.5356 1 324 358 0.000 0.000 0.7017 0.5369 1 324 361 -172.081 0.000 0.7984 0.6302 1 324 369 -162.052 0.000 0.7565 0.5605 1 324 371 -172.081 0.000 0.7007 0.5468 1 324 372 -126.076 0.000 0.8274 0.5495 1 324 382 -126.076 0.000 0.8333 0.5565 1 324 384 -172.081 0.000 0.7371 0.5524 1 324 388 -288.129 0.000 0.7106 0.4660 1 329 335 341.117 0.000 0.8137 0.5763 1 329 343 169.036 0.000 0.7055 0.4731 1 331 333 52.955 0.000 0.7034 0.3694 1 331 335 29.974 0.000 0.7569 0.4291 1 331 337 74.000 0.000 0.8742 0.5414 1 331 339 110.013 0.000 0.7471 0.3817 1 331 345 -188.113 0.000 0.8531 0.5646 1 333 335 -22.981 0.000 0.8184 0.5407 1 333 337 21.045 0.000 0.8315 0.4544 1 333 339 57.058 0.000 0.8728 0.5985 1 333 343 -195.063 0.000 0.7654 0.3943 1 333 346 42.011 0.000 0.7529 0.5000 1 333 347 14.999 0.000 0.7168 0.4205 1 333 349 84.058 0.000 0.8282 0.3146 1 335 337 44.026 0.000 0.9398 0.6219 1 335 343 -172.082 0.000 0.7770 0.3806 1 335 346 64.992 0.000 0.7762 0.5046 1 335 348 64.006 0.000 0.8008 0.5137 1 336 340 -186.067 0.000 0.8198 0.4754 1 336 347 59.973 0.000 0.7744 0.4695 1 337 339 36.013 0.000 0.8544 0.4813 1 337 343 -216.108 0.000 0.7737 0.4480 1 337 345 -262.113 0.000 0.7754 0.5402 1 337 346 20.966 0.000 0.7567 0.4877 1 338 357 35.977 0.000 0.7073 0.4239 1 338 361 -172.081 0.000 0.7579 0.5667 1 338 369 -162.052 0.000 0.7257 0.5499 1 338 372 -126.076 0.000 0.7910 0.5465 1 338 382 -126.076 0.000 0.7980 0.5505 1 338 384 -172.081 0.000 0.7037 0.5442 1 339 343 -252.121 0.000 0.8360 0.4672 1 339 346 -15.047 0.000 0.7826 0.6157 1 339 348 -16.033 0.000 0.8180 0.5496 1 340 343 35.977 0.000 0.7903 0.4631 1 341 342 -46.006 0.000 0.7192 0.5907 1 341 357 0.000 0.000 0.8540 0.6605 1 341 358 -35.977 0.000 0.7644 0.5248 1 341 372 -162.053 0.000 0.8098 0.5044 1 341 382 -162.053 0.000 0.7997 0.5101 1 342 343 -296.111 0.000 0.8829 0.8077 1 342 344 -3.008 0.000 0.7265 0.7610 1 342 371 -162.053 0.000 0.8736 0.7021 1 342 384 -162.053 0.000 0.8338 0.7019 1 343 345 -46.005 0.000 0.7730 0.7084 1 343 346 237.074 0.000 0.7854 0.4671 1 343 349 279.121 0.000 0.7941 0.3369 1 346 348 -0.986 0.000 0.7570 0.6145 1 346 349 42.047 0.000 0.7261 0.3257 1 348 349 43.033 0.000 0.7205 0.3059 1 349 362 -162.053 0.000 0.7624 0.2234 1 349 373 -162.053 0.000 0.8378 0.2943 1 349 383 -162.053 0.000 0.8509 0.3268 1 357 358 -35.977 0.000 0.7254 0.4862 1 357 372 -162.053 0.000 0.7633 0.4587 1 357 382 -162.053 0.000 0.7819 0.5056 1 358 382 -126.076 0.000 0.7205 0.4758 1 361 369 10.029 0.000 0.8690 0.7421 1 361 370 -458.164 0.000 0.7364 0.6485 1 361 371 -0.000 0.000 0.8497 0.8365 1 361 372 46.005 0.000 0.8241 0.6303 1 361 379 10.029 0.000 0.7872 0.4866 1 361 381 -458.164 0.000 0.7560 0.7007 1 361 382 46.005 0.000 0.8386 0.6561 1 361 384 -0.000 0.000 0.8739 0.8055 1 361 388 -116.048 0.000 0.8590 0.5739 1 361 391 -162.053 0.000 0.8581 0.6671 1 361 392 -116.048 0.000 0.7007 0.4311 1 361 394 -116.048 0.000 0.7867 0.5754 1 362 373 -0.000 0.000 0.7785 0.3469 1 362 376 -70.042 0.000 0.7040 0.2262 1 362 383 -0.000 0.000 0.7879 0.3194 1 364 373 103.052 0.000 0.7454 0.2530 1 364 374 30.010 0.000 0.7806 0.2047 1 364 377 -0.000 0.000 0.8510 0.3127 1 364 383 103.052 0.000 0.7474 0.2220 1 369 370 -468.193 0.000 0.7953 0.5970 1 369 371 -10.029 0.000 0.8931 0.7270 1 369 372 35.977 0.000 0.7298 0.5792 1 369 379 0.000 0.000 0.7890 0.4951 1 369 381 -468.193 0.000 0.8116 0.6557 1 369 382 35.977 0.000 0.7421 0.6188 1 369 384 -10.029 0.000 0.9008 0.7431 1 369 388 -126.077 0.000 0.7642 0.5305 1 369 391 -172.082 0.000 0.7723 0.5557 1 369 394 -126.077 0.000 0.7850 0.6105 1 370 371 458.164 0.000 0.8280 0.6406 1 370 379 468.193 0.000 0.7071 0.4911 1 370 381 0.000 0.000 0.8761 0.6540 1 370 384 458.164 0.000 0.8146 0.6588 1 370 388 342.116 0.000 0.7289 0.5806 1 370 391 296.111 0.000 0.7359 0.5770 1 370 394 342.116 0.000 0.7182 0.5636 1 371 372 46.006 0.000 0.7635 0.6694 1 371 379 10.029 0.000 0.7716 0.5329 1 371 381 -458.164 0.000 0.8624 0.7204 1 371 382 46.006 0.000 0.7613 0.6695 1 371 384 0.000 0.000 0.9543 0.8464 1 371 388 -116.048 0.000 0.7517 0.5727 1 371 391 -162.053 0.000 0.8004 0.6643 1 371 394 -116.048 0.000 0.7649 0.6061 1 372 379 -35.977 0.000 0.7183 0.4568 1 372 382 -0.000 0.000 0.8806 0.6517 1 372 384 -46.006 0.000 0.8073 0.6469 1 372 388 -162.053 0.000 0.7543 0.5214 1 372 394 -162.053 0.000 0.7533 0.5554 1 373 374 -73.042 0.000 0.7823 0.2501 1 373 376 -70.042 0.000 0.7817 0.2854 1 373 377 -103.052 0.000 0.8179 0.2558 1 373 383 0.000 0.000 0.8202 0.3382 1 374 376 3.000 0.000 0.8603 0.5065 1 374 377 -30.011 0.000 0.8805 0.4952 1 376 377 -33.010 0.000 0.8695 0.4393 1 376 383 70.042 0.000 0.7691 0.2801 1 377 383 103.052 0.000 0.8246 0.2690 1 379 381 -468.193 0.000 0.7535 0.5046 1 379 382 35.977 0.000 0.7265 0.4933 1 379 384 -10.029 0.000 0.8033 0.5031 1 379 388 -126.077 0.000 0.7039 0.4801 1 379 391 -172.082 0.000 0.7105 0.5012 1 379 394 -126.077 0.000 0.7546 0.4756 1 381 384 458.164 0.000 0.8751 0.7393 1 381 391 296.111 0.000 0.7406 0.5627 1 381 394 342.116 0.000 0.7357 0.5986 1 382 384 -46.006 0.000 0.8311 0.6823 1 382 388 -162.053 0.000 0.7740 0.5587 1 382 394 -162.053 0.000 0.7777 0.5917 1 384 388 -116.048 0.000 0.7664 0.5814 1 384 391 -162.053 0.000 0.8442 0.7019 1 384 394 -116.048 0.000 0.8073 0.6081 1 388 391 -46.005 0.000 0.8680 0.6594 1 388 392 -0.000 0.000 0.7330 0.4802 1 388 394 -0.000 0.000 0.7947 0.5824 1 390 395 0.000 0.000 0.7524 0.2753 1 390 399 0.000 0.000 0.8319 0.4246 1 390 405 0.000 0.000 0.8184 0.4484 1 391 392 46.005 0.000 0.7388 0.5102 1 391 394 46.005 0.000 0.8036 0.6394 1 395 399 0.000 0.000 0.7044 0.2683 1 399 405 0.000 0.000 0.7549 0.4257 1 410 411 16.990 0.000 0.8121 0.4805 1 nf_output/networking/network_singletons.graphml0000644000000000000000000106746314767267025021341 0ustar rootroot 0.0 0.0 25857.88875 0.0 450.2628 2.79 2.79 0 3 PE(16:1/0:0); [M-H]- C21H41N1O7P1 nan nan 0.0 0.0 0.0 18848.0825 283.0845 3.39 3.39 0 17 208206.9775 177930.63749999998 275445.57499999995 211560.6725 742.5388 2.04 2.04 0 3 Spectral Match to 1-Stearoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine from NIST14 nan nan 218755.2175 53542.61525 351959.645 203257.9365 452.2775 2.86 2.86 0 3 Spectral Match to 1-Palmitoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine from NIST14 CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O InChI=1S/C21H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)27-18-20(23)19-29-30(25,26)28-17-16-22/h20,23H,2-19,22H2,1H3,(H,25,26)/t20-/m1/s1 0.0 0.0 16030.90925 0.0 231.0589 6.32 6.32 0 6 84503.409 29093.1055 76481.96175 79326.55475000001 272.9586 9.84 9.84 0 39 0.0 0.0 21587.9075 0.0 196.072 5.58 5.58 0 21 N-Acetyl-L-histidine CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O InChI=1S/C8H11N3O3/c1-5(12)11-7(8(13)14)2-6-3-9-4-10-6/h3-4,7H,2H2,1H3,(H,9,10)(H,11,12)(H,13,14)/t7-/m0/s1 0.0 0.0 0.0 125406.0625 425.1659 3.29 3.29 0 6 Massbank:PR308942 Pentose-Hexose + C5H9 OC2COC(OCC1OC(OCC=C(C)C)C(O)C(O)C1(O))C(O)C2(O) 1S/C16H28O10/c1-7(2)3-4-23-16-14(22)12(20)11(19)9(26-16)6-25-15-13(21)10(18)8(17)5-24-15/h3,8-22H,4-6H2,1-2H3 0.0 0.0 0.0 54912.4325 669.2091 7.06 7.06 0 6 0.0 0.0 0.0 15588.2315 258.134 1.85 1.85 0 7 0.0 0.0 0.0 39399.19625 533.1352 6.19 6.19 0 6 20419.65625 16481.185 57882.835 0.0 403.1242 2.25 2.25 0 6 26476.872 0.0 0.0 0.0 515.1248 5.39 5.39 0 6 0.0 0.0 0.0 13228.6225 178.0502 1.68 1.68 0 36 0.0 0.0 0.0 12726.4675 473.1625 6.47 6.47 0 6 0.0 0.0 0.0 35029.557 509.1503 2.9 2.9 0 9 0.0 0.0 0.0 17533.71 369.1298 6.33 6.33 0 27 826483.9224999999 874047.5525 833590.45 757459.8875 404.1039 6.48 6.48 0 6 0.0 0.0 0.0 33144.5035 377.0851 6.75 6.75 0 6 melibiose CollisionEnergy:102040 OC[C@H]1O[C@H](OC[C@H]2OC(O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O "InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8+,9-,10-,11?,12+/m1/s1" 227620.834 291050.005 133450.9875 79403.759 151.0257 2.96 2.96 0 6 0.0 0.0 37230.8575 0.0 541.1171 6.43 6.43 0 6 0.0 0.0 0.0 17117.33 217.0328 2.72 2.72 0 4 157476.0725 208283.5175 445378.93750000006 291426.6 181.0714 5.04 5.04 0 6 D-Sorbitol CollisionEnergy:102040 OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO "InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1" 0.0 50894.105 0.0 0.0 360.2388 2.08 2.08 0 20 0.0 0.0 0.0 14038.8145 669.2089 6.89 6.89 0 6 16513.0975 50903.8975 72968.2415 25428.015 1007.3307 7.06 7.06 0 6 550033.205 556445.73 695003.025 420932.4275000001 566.1568 7.06 7.06 0 6 0.0 0.0 0.0 86270.38 222.0763 2.18 2.18 0 6 14620.248 0.0 13407.6125 0.0 397.2263 1.82 1.82 0 17 0.0 0.0 0.0 131682.0025 508.203 3.3 3.3 0 16 9081696.75 4386096.675 9824835.625 5972544.0 387.1137 6.46 6.46 0 6 sucrose OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1 0.0 31750.88 0.0 0.0 336.229 2.52 2.52 0 21 102393.501 33367.5625 0.0 43520.29675 188.0559 3.41 3.41 0 5 N-ACETYL-DL-GLUTAMIC ACID O=C(N[C@H](C(=O)O)CCC(=O)O)C InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t5-/m0/s1 110073.6825 48931.53525 117200.426 0.0 443.1039 5.17 5.17 0 6 246545.2125 221319.7125 273944.53250000003 237501.9625 377.0853 6.44 6.44 0 6 maltose CollisionEnergy:102040 OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O "InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12-/m1/s1" 0.0 0.0 0.0 19341.0725 553.1768 2.9 2.9 0 6 0.0 19532.46 51677.7475 59253.165 711.2197 7.55 7.55 0 6 maltotetraose OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22-,23-,24-/m1/s1 295015.705 281557.8325 184476.2275 168542.285 197.8074 6.05 6.05 0 31 952016.925 737143.91 1064552.455 825981.5325 488.1619 6.43 6.43 0 6 217932.6125 0.0 0.0 65611.9075 349.0902 6.05 6.05 0 6 62077.2775 0.0 67293.902 80312.89749999999 282.0837 4.56 4.56 0 29 GUANOSINE C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=NC2=O)N InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19) 209114.1725 165888.0825 308830.07 112946.45875 432.099 5.39 5.39 0 6 0.0 0.0 0.0 13478.0775 314.1243 6.33 6.33 0 19 20771.51375 59151.018500000006 29016.495 59255.7725 377.0853 6.38 6.38 0 6 maltose CollisionEnergy:102040 OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O "InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12-/m1/s1" 75862.025 36558.775 117313.3975 27404.98375 415.1085 5.39 5.39 0 6 809144.85 743235.285 824143.8 1048375.29 167.0207 4.38 4.38 0 6 URIC ACID C12=C(N=C(N=C1NC(=N2)O)O)O "InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)" 24169.825 116840.48750000002 114059.671 103982.191 341.108 6.38 6.38 0 6 MALTOSE C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H](CO)O[C@H]([C@@H]([C@H]2O)O)O)O)O)O)O "InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12-/m1/s1" 0.0 0.0 0.0 195740.375 229.1184 2.3 2.3 0 33 0.0 0.0 0.0 81837.4125 203.0332 2.73 2.73 0 8 123086.455 98489.1125 141445.50400000002 70564.1775 503.1611 7.22 7.22 0 6 RAFFINOSE CollisionEnergy:102040 OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O "InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1" 116371.4525 124670.1775 160113.4725 111126.2005 503.1611 7.06 7.06 0 6 RAFFINOSE C([C@@H]1[C@@H]([C@@H]([C@H](C(OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)O[C@@]3(CO)[C@H]([C@@H]([C@@H](CO)O3)O)O)O)O)O)O1)O)O)O)O "InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16?,17?,18+/m1/s1" 0.0 0.0 0.0 1246218.55 431.1189 3.21 3.21 0 11 Asperulosidic acid CC(=O)OCC1=C[C@H](O)[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12 InChI=1S/C18H24O12/c1-6(20)27-4-7-2-9(21)12-8(16(25)26)5-28-17(11(7)12)30-18-15(24)14(23)13(22)10(3-19)29-18/h2,5,9-15,17-19,21-24H,3-4H2,1H3,(H,25,26)/t9-,10+,11+,12-,13+,14-,15+,17-,18-/m0/s1 75193.89 85082.2575 162438.015 46900.0715 567.1329 6.03 6.03 0 6 13862.9625 0.0 0.0 0.0 188.949 1.7 1.7 0 8 0.0 0.0 0.0 28779.7475 543.1574 4.37 4.37 0 6 93592.4675 31094.098250000003 0.0 61124.09825 265.0473 5.86 5.86 0 6 0.0 22147.6175 0.0 0.0 360.2388 2.0 2.0 0 20 638019.7475 114344.497 143738.94 166137.4375 218.1031 2.02 2.02 0 2 0.0 0.0 0.0 15561.895 367.1046 4.64 4.64 0 12 49681.408500000005 13413.6095 74264.74625 0.0 415.1087 5.32 5.32 0 6 95574.044 76605.26775 80068.20925 67484.47899999999 293.1786 1.71 1.71 0 17 (1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one COc1ccc(/C=C/C(=O)/C=C/c2ccc(OC)cc2)cc1 InChI=1S/C19H18O3/c1-21-18-11-5-15(6-12-18)3-9-17(20)10-4-16-7-13-19(22-2)14-8-16/h3-14H,1-2H3/b9-3+,10-4+ 677719.7 641958.3574999999 623766.6799999999 44436.01875 432.0991 5.18 5.18 0 6 0.0 0.0 0.0 42502.3625 151.0608 4.38 4.38 0 6 xylitol CollisionEnergy:102040 OC[C@H](O)C(O)[C@H](O)CO "InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5?" 54531.86675 13736.835 0.0 14643.2575 569.2726 3.88 3.88 0 24 0.0 0.0 27151.983 24017.8825 802.5604 1.66 1.66 0 37 (2-{[3-(hexadecanoyloxy)-2-[octadeca-9.12-dienoyloxy]propyl phosphono]oxy}ethyl)trimethylazanium [H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\\C=C/C\\C=C/CCCCC InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h14,16,20-21,40H,6-13,15,17-19,22-39H2,1-5H3/b16-14-,21-20-/t40-/m1/s1 665784.8 468329.4075 656473.4850000001 482132.4275 716.5227 2.07 2.07 0 3 (2-aminoethoxy)[2-(hexadecanoyloxy)-3-[octadec-11-enoyloxy]propoxy]phosphinic acid [H][C@@](COC(=O)CCCCCCCCC\\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC InChI=1S/C39H76NO8P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h13,15,37H,3-12,14,16-36,40H2,1-2H3,(H,43,44)/b15-13-/t37-/m1/s1 0.0 28808.86125 0.0 0.0 414.1218 1.49 1.49 0 8 0.0 0.0 0.0 28843.5 243.1344 2.1 2.1 0 33 43700.63275 0.0 0.0 39065.3825 285.0815 6.27 6.27 0 6 41369.0035 55224.1675 24394.625 20534.9 353.1995 1.8 1.8 0 17 66860.95375 33804.39 138211.4785 105111.415 597.3036 3.8 3.8 0 24 PI(18:1/0:0); [M-H]- C27H50O12P1 nan nan 0.0 0.0 0.0 16626.2825 188.0348 4.56 4.56 0 8 150820.0575 107508.4365 219476.09000000003 135859.95 659.5124 2.56 2.56 0 13 0.0 0.0 0.0 82018.08 421.1348 4.38 4.38 0 6 0.0 0.0 0.0 37595.02875 260.1495 2.26 2.26 0 14 1352245.5225 770494.855 1937566.55 1748797.375 377.0854 6.03 6.03 0 6 sucrose OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1 0.0 0.0 0.0 13356.00875 424.2467 2.93 2.93 0 3 98389.24 25113.3825 63279.5425 0.0 457.1194 5.17 5.17 0 6 0.0 0.0 59946.0125 36665.4225 217.0824 5.5 5.5 0 6 2851404.175 1355745.3099999998 3223065.0 1866777.45 341.1081 6.46 6.46 0 6 sucrose OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1 0.0 0.0 0.0 75533.531 459.1137 2.53 2.53 0 11 187287.2225 84371.61750000001 171094.495 65380.4925 549.1667 7.25 7.25 0 6 maltotriose OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16?,17-,18-/m1/s1 0.0 0.0 0.0 64918.89 533.1352 6.44 6.44 0 6 0.0 12704.044 0.0 13569.5245 665.2147 7.56 7.56 0 6 maltotetraose OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22-,23-,24-/m1/s1 16143.706 25203.8085 0.0 0.0 342.2283 1.39 1.39 0 7 0.0 13598.672 13552.775 0.0 255.8217 6.08 6.08 0 18 372172.5225 228257.975 582377.49 158205.44825000002 154.0617 7.47 7.47 0 22 L-histidine N[C@@H](Cc1cnc[nH]1)C(=O)O InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1 431259.5725 315498.565 461837.49 246059.38750000004 566.1568 7.23 7.23 0 6 0.0 0.0 13355.8325 55211.87 187.0411 2.66 2.66 0 8 30695.8225 113902.6825 119642.1675 129322.931 341.108 6.18 6.18 0 6 MALTOSE C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H](CO)O[C@H]([C@@H]([C@H]2O)O)O)O)O)O)O "InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12-/m1/s1" 87360.186 283026.3225 235234.265 164841.8725 404.1038 6.18 6.18 0 6 0.0 17903.07 0.0 39195.27375 636.1987 7.06 7.06 0 6 522056.105 415284.2675 382438.87 681383.625 267.0729 3.74 3.74 0 29 INOSINE C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)CO)O)O InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18) 0.0 0.0 0.0 14153.915 165.0188 2.56 2.56 0 36 13854.334 14102.4925 0.0 0.0 279.0592 3.32 3.32 0 16 0.0 58549.471000000005 20496.185 0.0 683.2247 6.19 6.19 0 6 PALATINOSE C(C1C(C(C(C(O1)OCC2C(C(C(O2)(CO)O)O)O)O)O)O)O "InChI=1S/C12H22O11/c13-1-4-6(15)8(17)9(18)11(22-4)21-2-5-7(16)10(19)12(20,3-14)23-5/h4-11,13-20H,1-3H2" 80808.1375 89080.9025 110991.29750000002 156600.459 335.049 4.38 4.38 0 6 0.0 0.0 0.0 14659.5635 774.528 1.43 1.43 0 37 156051.206 190025.735 0.0 0.0 314.1969 1.49 1.49 0 7 0.0 0.0 0.0 28875.6175 151.0606 2.53 2.53 0 6 ARABITOL C([C@@H](C([C@H](CO)O)O)O)O "InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m0/s1" 0.0 0.0 0.0 244166.72 347.0744 6.01 6.01 0 6 102771.8185 53655.0875 82941.04999999999 176234.1375 164.0713 4.02 4.02 0 22 85640.4025 99774.87925 62593.105 59974.13924999999 309.1737 1.76 1.76 0 17 0.0 0.0 0.0 56614.48625 511.143 6.44 6.44 0 6 121760.96625 69641.5335 131936.08299999998 83972.51250000001 683.225 6.46 6.46 0 6 15099.7175 0.0 15793.6725 19335.371 453.2809 2.86 2.86 0 3 0.0 0.0 0.0 91004.45425 463.109 2.91 2.91 0 9 15639.65625 37469.1175 83645.7225 42972.6525 450.2623 2.85 2.85 0 3 PE(16:1/0:0); [M-H]- C21H41N1O7P1 nan nan 33074.775 0.0 0.0 0.0 191.0727 2.7 2.7 0 8 55730.905 89018.4325 49122.9835 610461.715 181.0713 5.15 5.15 0 6 Sorbitol - 40.0 eV C([C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O)O InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1 0.0 13957.953 13842.78 0.0 257.8186 6.08 6.08 0 18 542135.92 844201.9650000001 1054108.15 1197123.99 487.1776 6.17 6.17 0 6 0.0 0.0 0.0 1256037.125 389.108 4.69 4.69 0 11 Deacetylasperulosidic acid O=C(O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=C[C@H](O)[C@H]12 InChI=1S/C16H22O11/c17-2-5-1-7(19)10-6(14(23)24)4-25-15(9(5)10)27-16-13(22)12(21)11(20)8(3-18)26-16/h1,4,7-13,15-22H,2-3H2,(H,23,24)/t7-,8+,9+,10-,11+,12-,13+,15-,16-/m0/s1 15235.3775 0.0 0.0 101585.19475 305.0683 2.87 2.87 0 23 0.0 0.0 0.0 118273.615 196.0606 6.02 6.02 0 31 0.0 19948.68 63010.439 59690.755000000005 665.2144 7.4 7.4 0 6 maltotetraose OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22-,23-,24-/m1/s1 0.0 0.0 0.0 87699.1445 569.1715 4.7 4.7 0 11 0.0 0.0 0.0 18811.215 244.1183 1.89 1.89 0 33 19999.7975 0.0 0.0 0.0 437.2136 2.02 2.02 0 1 D-pantothenic acid CollisionEnergy:102040 CC(C)(CO)C(O)C(O)=NCCC(=O)O "InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)" 55163.22325 42328.0415 0.0 156258.865 473.1622 6.29 6.29 0 6 0.0 0.0 0.0 38784.7275 245.0465 2.72 2.72 0 8 77269.63249999999 78476.38500000001 110176.14 34316.6275 499.0703 5.16 5.16 0 6 25779.4715 13747.68 28334.244 13135.5605 539.1376 7.21 7.21 0 6 238139.7425 172564.5725 149534.6875 135039.49 195.8101 6.04 6.04 0 31 0.0 74112.9715 99553.1465 98138.645 549.1665 6.88 6.88 0 6 maltotriose OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16?,17-,18-/m1/s1 0.0 0.0 0.0 17482.1 510.183 3.34 3.34 0 16 0.0 0.0 0.0 199808.4425 201.076 2.18 2.18 0 8 0.0 0.0 14771.1325 0.0 567.1324 6.12 6.12 0 6 84257.46725 75595.8525 154983.2975 69698.95999999999 687.5441 2.53 2.53 0 13 120029.645 50266.8935 94459.92 82185.99 173.104 7.68 7.68 0 6 158257.805 493060.1875 409367.09 159962.23075 432.0991 4.8 4.8 0 6 0.0 0.0 0.0 16598.1725 241.0351 2.38 2.38 0 33 0.0 0.0 0.0 15833.6035 230.1026 2.09 2.09 0 7 0.0 0.0 0.0 25596.5185 431.1042 6.44 6.44 0 6 30933.3275 0.0 59529.64825 45854.6175 189.0561 2.7 2.7 0 8 222311.145 78882.0525 0.0 98715.20875 259.0908 5.84 5.84 0 6 0.0 13106.54875 0.0 0.0 702.5076 2.09 2.09 0 3 PE(15:0/18:1); [M-H]- C38H73N1O8P1 nan nan 15514.28 49430.9725 92933.8675 22473.17 271.0033 5.87 5.87 0 6 228932.23375 209084.4575 249947.715 260118.7425 377.0854 6.13 6.13 0 6 Palatinose CollisionEnergy:102040 OC[C@H]1O[C@H](OC[C@H]2OC(O)(CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O "InChI=1S/C12H22O11/c13-1-4-6(15)8(17)9(18)11(22-4)21-2-5-7(16)10(19)12(20,3-14)23-5/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11+,12?/m1/s1" 229484.535 118583.256 241901.405 144828.05375 729.2302 6.46 6.46 0 6 0.0 0.0 19977.1915 0.0 221.0659 6.38 6.38 0 6 448145.875 291080.1225 484850.825 134326.616 341.1079 5.17 5.17 0 6 SUCROSE C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@]2(CO)[C@H]([C@@H]([C@@H](CO)O2)O)O)O)O)O)O "InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1" 57914.8775 16179.9675 123975.9875 0.0 154.0617 7.82 7.82 0 22 0.0 293387.9525 85544.11 279649.65 404.1039 6.38 6.38 0 6 0.0 0.0 0.0 35923.94 341.1078 6.75 6.75 0 6 Gentiobiose C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O)O)O)O AYRXSINWFIIFAE-UDKQPYHCSA-N 0.0 0.0 0.0 45649.9575 267.0724 4.02 4.02 0 29 INOSINE C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)CO)O)O InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18) 0.0 0.0 0.0 16114.6675 405.1023 5.46 5.46 0 11 0.0 0.0 0.0 171931.7225 417.1031 3.42 3.42 0 11 0.0 0.0 0.0 13936.51375 261.0406 2.72 2.72 0 4 0.0 0.0 32531.27925 0.0 210.0878 5.0 5.0 0 21 127854.355 143166.11500000002 229569.1125 174111.50499999998 446.1511 6.33 6.33 0 6 0.0 0.0 0.0 100002.983 417.1031 3.55 3.55 0 11 0.0 0.0 0.0 12670.28125 639.1984 7.06 7.06 0 6 0.0 36451.405 0.0 0.0 362.2442 2.42 2.42 0 21 0.0 13041.248 0.0 0.0 206.0455 2.36 2.36 0 8 72300.924 19763.4175 0.0 86823.755 460.1665 5.86 5.86 0 6 42643.558 16674.34 100379.32275 25331.371 595.288 3.83 3.83 0 24 PI(18:2/0:0); [M-H]- C27H48O12P1 nan nan 0.0 0.0 0.0 162569.3525 438.1249 4.4 4.4 0 6 21053.9425 49986.975000000006 72171.9975 17342.1975 205.0496 2.7 2.7 0 8 0.0 0.0 26481.50625 22067.9785 776.5434 1.75 1.75 0 37 38748.8475 23921.495 32581.285 177650.98249999998 466.1233 5.87 5.87 0 6 13653.1475 0.0 16058.925 75759.98 161.0449 2.49 2.49 0 10 Meglutol CC(O)(CC(=O)O)CC(=O)O InChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10) 28052.64925 59750.7505 62220.985 69121.89050000001 205.0139 2.72 2.72 0 8 27563.6185 0.0 13045.9225 34464.00925 147.0294 5.46 5.46 0 10 0.0 0.0 0.0 583259.9575 779.2248 4.67 4.67 0 11 98666.9775 32253.27 113610.2925 66441.62 478.2936 2.78 2.78 0 3 PE(18:1/0:0); [M-H]- C23H45N1O7P1 nan nan 0.0 0.0 0.0 212068.38 404.1038 6.75 6.75 0 6 0.0 0.0 0.0 192719.31 452.1041 4.67 4.67 0 11 0.0 0.0 22720.7675 0.0 154.0617 7.98 7.98 0 22 13585.6065 0.0 0.0 0.0 289.9484 9.84 9.84 0 39 42023.38425 59114.18 28301.256 16393.4335 216.9438 2.0 2.0 0 2 0.0 34097.0625 0.0 0.0 428.1189 3.39 3.39 0 16 62649.12975 0.0 48647.84775 52434.068 446.1511 6.46 6.46 0 6 0.0 0.0 0.0 47357.13625 287.1609 2.94 2.94 0 33 13302.8935 0.0 32450.8825 0.0 459.1342 5.17 5.17 0 6 0.0 0.0 18422.24 24220.165 478.2934 2.71 2.71 0 3 PE(18:1/0:0); [M-H]- C23H45N1O7P1 nan nan 2355847.625 1465000.0499999998 2532130.5 719515.6224999999 415.1088 5.17 5.17 0 6 CHEMBL1513915 CCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)COc1cc(C)c(Cl)cc1 InChI=1S/C22H23ClN2O4/c1-3-28-22(27)20(11-15-12-24-19-7-5-4-6-17(15)19)25-21(26)13-29-16-8-9-18(23)14(2)10-16/h4-10,12,20,24H,3,11,13H2,1-2H3,(H,25,26) 0.0 0.0 0.0 13375.94325 447.1374 6.47 6.47 0 6 124884.54875 78459.5375 48037.6325 41916.0165 154.0617 7.68 7.68 0 22 52618.115 38362.2335 64761.41900000001 0.0 443.1039 3.9 3.9 0 6 30887.3575 235437.5325 164039.5125 151129.1125 683.2247 6.38 6.38 0 6 PALATINOSE C(C1C(C(C(C(O1)OCC2C(C(C(O2)(CO)O)O)O)O)O)O)O "InChI=1S/C12H22O11/c13-1-4-6(15)8(17)9(18)11(22-4)21-2-5-7(16)10(19)12(20,3-14)23-5/h4-11,13-20H,1-3H2" 0.0 0.0 0.0 18679.11 255.0538 4.1 4.1 0 17 174582.5325 108408.365 98632.61400000002 53644.915 201.0877 3.27 3.27 0 33 0.0 0.0 0.0 21414.01 230.1141 6.31 6.31 0 6 13809.38 13262.746 42854.11375 26771.4365 719.202 6.44 6.44 0 6 0.0 0.0 0.0 39551.945 202.1079 1.8 1.8 0 14 0.0 0.0 15897.38 164044.575 215.103 2.65 2.65 0 33 104397.738 64707.373750000006 82153.49250000001 95832.7825 313.1125 6.17 6.17 0 6 0.0 0.0 12838.11425 0.0 247.0364 2.74 2.74 0 8 0.0 0.0 0.0 28590.0245 246.0438 2.73 2.73 0 8 0.0 0.0 19440.209 12646.1175 467.1168 6.44 6.44 0 6 12530.02925 0.0 19592.0375 0.0 1007.3305 7.22 7.22 0 6 0.0 0.0 17788.2075 0.0 566.3458 2.42 2.42 0 3 Massbank:PR309160 LPC 18:1 O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCCCCCCCC 1S/C26H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h12-13,25,28H,5-11,14-24H2,1-4H3 0.0 0.0 0.0 60959.825 187.0413 2.87 2.87 0 8 0.0 0.0 23660.3975 180693.41825 217.1074 1.56 1.56 0 8 0.0 0.0 0.0 16340.84875 367.1048 4.7 4.7 0 12 0.0 0.0 0.0 82172.66100000001 181.0712 3.5 3.5 0 6 Spectral Match to Dulcitol from NIST14 nan nan 142811.7225 19509.31 132581.2175 179125.02750000003 174.0403 4.0 4.0 0 7 N-Acetyl-L-aspartic acid - 40.0 eV CC(=O)N[C@@H](CC(=O)O)C(=O)O InChI=1S/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t4-/m0/s1 0.0 0.0 13155.89 0.0 338.1088 3.34 3.34 0 16 0.0 0.0 0.0 14702.8775 631.481 2.61 2.61 0 13 15846.5225 216476.2475 298524.85250000004 254061.6725 566.1567 6.88 6.88 0 6 15402.59 16423.375 15772.36625 0.0 460.094 5.17 5.17 0 6 0.0 49450.331000000006 0.0 31771.561 852.2605 6.43 6.43 0 6 0.0 0.0 0.0 13011.1095 305.0694 3.04 3.04 0 23 129526.70500000002 140590.9925 155913.62 215653.715 660.4605 2.13 2.13 0 3 PE(14:0/16:1); [M-H]- C35H67N1O8P1 nan nan 0.0 0.0 0.0 14541.77625 463.1088 2.68 2.68 0 9 0.0 0.0 62833.00675 51868.4225 774.5289 1.76 1.76 0 37 0.0 0.0 0.0 19533.8775 369.1302 6.03 6.03 0 27 0.0 0.0 0.0 31846.840750000003 817.1808 4.68 4.68 0 11 0.0 0.0 0.0 115957.194 246.1341 2.61 2.61 0 14 0.0 0.0 0.0 33989.4525 299.0802 4.64 4.64 0 17 72856.5625 0.0 111931.22 150824.92250000002 167.0344 1.94 1.94 0 8 Homogentisic acid O=C(O)Cc1c(O)ccc(O)c1 InChI=1S/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12) 0.0 0.0 0.0 16711.3925 160.0398 2.44 2.44 0 10 1111073.35 993683.325 1114146.435 1031145.875 688.492 2.1 2.1 0 3 PE(16:0/16:1); [M-H]- C37H71N1O8P1 nan nan 0.0 16452.23625 0.0 0.0 316.2126 1.87 1.87 0 20 321938.0675 128107.55125 112396.775 137348.6875 356.1347 3.7 3.7 0 19 0.0 0.0 0.0 16860.7725 272.1497 1.63 1.63 0 5 42093.057 28404.34175 55845.43075000001 13109.03125 539.1378 7.05 7.05 0 6 Melezitose OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O InChI=1S/C18H32O16/c19-1-5-8(23)11(26)13(28)16(30-5)32-15-10(25)7(3-21)33-18(15,4-22)34-17-14(29)12(27)9(24)6(2-20)31-17/h5-17,19-29H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15+,16-,17-,18+/m1/s1 59887.87 25372.4225 124439.6325 112715.98275 380.0858 6.03 6.03 0 6 21131.74 0.0 0.0 16909.20125 530.2785 2.02 2.02 0 1 200268.8025 178963.31875000003 266136.36250000005 174250.9525 549.1667 7.06 7.06 0 6 maltotriose OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16?,17-,18-/m1/s1 13751.8175 0.0 0.0 0.0 665.2145 7.66 7.66 0 6 maltotetraose OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22-,23-,24-/m1/s1 29405.785 27302.975 0.0 0.0 243.0175 7.26 7.26 0 -1 45355.10275 14292.4575 26855.715 0.0 164.8365 6.03 6.03 0 -1 16516.0 14422.59 24519.86125 0.0 349.0693 2.25 2.25 0 -1 111397.44825 81042.4775 38004.2475 87531.1275 535.1535 3.74 3.74 0 -1 0.0 0.0 0.0 79016.95925 353.072 7.38 7.38 0 -1 0.0 0.0 0.0 205404.7925 573.1587 6.02 6.02 0 -1 0.0 0.0 0.0 80105.8865 438.125 4.08 4.08 0 -1 0.0 0.0 15562.1465 0.0 306.0762 6.68 6.68 0 -1 Glutathione N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1 0.0 0.0 0.0 20147.53 216.1234 1.98 1.98 0 -1 0.0 0.0 33088.68625 14352.8575 93.0339 1.37 1.37 0 -1 73467.066 0.0 0.0 0.0 243.0175 6.83 6.83 0 -1 12571.5615 0.0 12874.7655 30473.73225 147.0295 6.02 6.02 0 -1 0.0 0.0 15359.23825 0.0 427.1266 3.34 3.34 0 -1 0.0 0.0 0.0 55756.240000000005 85.0288 6.04 6.04 0 -1 503873.835 368251.995 383016.26 477567.67999999993 117.0188 2.01 2.01 0 -1 0.0 0.0 0.0 39216.24875 254.0665 3.08 3.08 0 -1 35297.6725 0.0 0.0 0.0 157.0137 3.42 3.42 0 -1 166272.2075 111415.755 265687.865 201258.15 224.0558 3.51 3.51 0 -1 Madurastatin B2 O=C(N[C@H](CO)C(=O)O)c1ccccc1O InChI=1S/C10H11NO5/c12-5-7(10(15)16)11-9(14)6-3-1-2-4-8(6)13/h1-4,7,12-13H,5H2,(H,11,14)(H,15,16)/t7-/m1/s1 39361.8725 0.0 87459.19750000001 22669.4475 171.006 7.85 7.85 0 -1 16440.67375 17197.6575 0.0 0.0 227.9599 3.32 3.32 0 -1 31409.685 0.0 15735.4925 0.0 521.3273 7.68 7.68 0 -1 0.0 0.0 0.0 29869.631500000003 89.0236 1.89 1.89 0 -1 0.0 0.0 0.0 38637.8825 166.0172 5.21 5.21 0 -1 84703.056 80846.66075 96214.98025 0.0 460.0942 3.77 3.77 0 -1 0.0 0.0 0.0 37498.3445 173.0258 2.72 2.72 0 -1 13882.9675 17044.96875 0.0 0.0 135.0306 2.97 2.97 0 -1 0.0 0.0 0.0 23290.0075 805.4872 3.17 3.17 0 -1 0.0 0.0 22008.26375 13727.296 323.9808 3.52 3.52 0 -1 206745.51 93970.79 97019.9675 80617.23725 419.1298 3.7 3.7 0 -1 295496.235 297918.62875000003 252979.7875 221634.5775 128.0348 3.31 3.31 0 -1 0.0 22552.1025 53565.209 47400.7635 728.2102 7.4 7.4 0 -1 0.0 30053.34675 0.0 0.0 214.0481 6.67 6.67 0 -1 19686.37 84790.70025 82746.27775000001 82843.215 161.0451 6.18 6.18 0 -1 0.0 0.0 0.0 14525.167 179.0555 6.53 6.53 0 -1 0.0 0.0 0.0 38594.055 551.1615 5.61 5.61 0 -1 0.0 0.0 12941.8085 12854.63375 905.5637 2.85 2.85 0 -1 16977.035 18844.625 32096.18325 43304.87875 179.0556 6.43 6.43 0 -1 25684.14 0.0 24187.245 22464.246 194.0452 2.7 2.7 0 -1 4-HYDROXY-BZ-GLY-OH - 40.0 eV c1cc(ccc1C(=O)NCC(=O)O)O InChI=1S/C9H9NO4/c11-7-3-1-6(2-4-7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13) 33301.3545 0.0 0.0 0.0 88.0397 2.03 2.03 0 -1 0.0 0.0 0.0 12779.1455 167.0708 3.51 3.51 0 -1 124146.54 103391.4325 112689.765 95021.77375 162.8388 6.02 6.02 0 -1 0.0 0.0 0.0 27699.495000000003 101.0238 5.15 5.15 0 -1 0.0 19357.345 0.0 0.0 128.0348 3.5 3.5 0 -1 56952.9025 19877.205 95850.4975 69432.76550000001 341.1081 6.03 6.03 0 -1 SUCROSE C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@]2(CO)[C@H]([C@@H]([C@@H](CO)O2)O)O)O)O)O)O "InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1" 28107.40225 0.0 0.0 50199.8625 131.0458 6.28 6.28 0 -1 0.0 0.0 0.0 12536.129 115.0203 2.68 2.68 0 -1 0.0 0.0 0.0 37173.41 165.0398 7.83 7.83 0 -1 0.0 0.0 0.0 22894.9475 233.0118 3.31 3.31 0 -1 50174.4585 22598.71875 60491.416 30981.8375 495.1175 3.07 3.07 0 -1 0.0 0.0 0.0 36227.87 89.0236 2.07 2.07 0 -1 0.0 0.0 0.0 14480.9365 199.0606 3.69 3.69 0 -1 43826.6825 68109.20999999999 14758.9765 106506.0425 423.0947 3.16 3.16 0 -1 87943.015 48157.72875 38634.490000000005 70374.1325 200.056 3.07 3.07 0 -1 0.0 0.0 0.0 48150.927500000005 494.115 3.21 3.21 0 -1 0.0 0.0 0.0 55146.535 379.1604 3.29 3.29 0 -1 lactitol OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)CO InChI=1S/C12H24O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4-21H,1-3H2/t4-,5+,6+,7+,8-,9-,10+,11+,12-/m0/s1 13955.3565 0.0 0.0 0.0 129.0187 4.88 4.88 0 -1 109373.1435 67873.53375 69823.3375 106534.4285 73.0286 2.01 2.01 0 -1 0.0 0.0 0.0 25410.689 89.0236 2.97 2.97 0 -1 469510.25 333044.3375 286308.395 373930.535 243.0615 3.07 3.07 0 -1 URIDINE C1=CN([C@H]2[C@@H]([C@@H]([C@@H](CO)O2)O)O)C(=O)N=C1O "InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1" 0.0 26644.041 0.0 0.0 432.099 5.03 5.03 0 -1 109589.036 0.0 51690.847 114096.685 127.0507 6.17 6.17 0 -1 26174.616 0.0 38146.02875 0.0 89.0237 2.25 2.25 0 -1 171991.0575 102342.6125 174155.47 31841.1795 432.099 5.3 5.3 0 -1 0.0 0.0 19851.0425 18164.94 194.0452 3.51 3.51 0 -1 0.0 0.0 20647.1475 15796.246 179.0554 6.38 6.38 0 -1 0.0 0.0 0.0 15888.0375 417.1031 2.9 2.9 0 -1 93018.5625 110259.04375 95193.77 65887.65275000001 424.031 5.46 5.46 0 -1 15729.0075 0.0 0.0 0.0 318.0279 2.02 2.02 0 -1 0.0 0.0 12950.2655 45737.9675 203.1032 6.02 6.02 0 -1 20734.205 112569.6085 104838.581 92595.15 161.0451 6.38 6.38 0 -1 0.0 0.0 0.0 15604.004 609.1454 3.92 3.92 0 -1 Massbank:FIO00597 Rutin c(c5)(O)cc(c(c52)C(C(O[C@H](O3)[C@@H]([C@H]([C@@H]([C@H]3CO[C@@H]([C@@H]4O)O[C@H]([C@@H]([C@H]4O)O)C)O)O)O)=C(O2)c(c1)ccc(O)c1O)=O)O 1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1 15267.86325 0.0 0.0 0.0 243.0176 7.02 7.02 0 -1 13200.2375 0.0 15766.19425 0.0 404.1038 7.15 7.15 0 -1 28783.375 0.0 0.0 0.0 153.8683 6.02 6.02 0 -1 18290.415 0.0 24259.8775 0.0 151.0395 2.25 2.25 0 -1 0.0 0.0 14885.91125 0.0 451.0281 5.33 5.33 0 -1 0.0 0.0 0.0 37217.1225 285.0609 2.33 2.33 0 -1 0.0 0.0 0.0 16116.3995 165.0398 6.75 6.75 0 -1 20868.5275 0.0 0.0 0.0 386.145 3.14 3.14 0 -1 0.0 0.0 0.0 12680.711 389.1079 3.5 3.5 0 -1 Deacetylasperulosidic acid O=C(O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=C[C@H](O)[C@H]12 InChI=1S/C16H22O11/c17-2-5-1-7(19)10-6(14(23)24)4-25-15(9(5)10)27-16-13(22)12(21)11(20)8(3-18)26-16/h1,4,7-13,15-22H,2-3H2,(H,23,24)/t7-,8+,9+,10-,11+,12-,13+,15-,16-/m0/s1 0.0 0.0 0.0 13357.44 808.5054 3.17 3.17 0 -1 121710.7875 100337.04975 108009.02 94924.639 160.8416 6.02 6.02 0 -1 0.0 0.0 0.0 18983.8625 208.0605 2.29 2.29 0 -1 0.0 14073.46675 14273.712 0.0 179.0556 6.18 6.18 0 -1 0.0 0.0 13015.36125 0.0 405.0798 5.32 5.32 0 -1 0.0 0.0 34057.015 0.0 176.056 5.46 5.46 0 -1 0.0 0.0 0.0 88897.61125 296.8815 5.11 5.11 0 -1 0.0 0.0 0.0 34308.7375 379.1607 2.91 2.91 0 -1 0.0 0.0 0.0 20504.52 223.0453 6.43 6.43 0 -1 0.0 0.0 0.0 33826.957500000004 377.0852 6.64 6.64 0 -1 melibiose CollisionEnergy:102040 OC[C@H]1O[C@H](OC[C@H]2OC(O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O "InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8+,9-,10-,11?,12+/m1/s1" 0.0 0.0 0.0 18019.9825 229.0712 3.51 3.51 0 -1 195206.06250000003 82412.765 246703.1575 541433.3675 305.0172 5.48 5.48 0 -1 0.0 0.0 0.0 14457.0875 337.0767 6.27 6.27 0 -1 0.0 0.0 0.0 14025.581 85.0288 6.32 6.32 0 -1 0.0 30456.3225 0.0 0.0 351.0662 5.96 5.96 0 -1 44709.6745 0.0 0.0 0.0 279.0382 3.07 3.07 0 -1 uridine O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1 InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1 63277.89275 17730.83 46459.325 18522.9425 299.0764 3.0 3.0 0 -1 rhodioloside OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1 32396.385 14716.203 0.0 0.0 412.0307 5.46 5.46 0 -1 0.0 22925.004 14434.65925 33909.230500000005 728.2103 7.56 7.56 0 -1 33710.9415 0.0 20274.4925 0.0 171.0059 7.95 7.95 0 -1 0.0 0.0 49074.27250000001 21696.7925 246.9912 2.09 2.09 0 -1 0.0 0.0 0.0 20554.746 144.0448 4.56 4.56 0 -1 0.0 0.0 0.0 51781.7925 281.0874 6.11 6.11 0 -1 30682.3525 66049.54 0.0 114485.9305 382.0996 5.39 5.39 0 -1 0.0 0.0 0.0 130324.4675 195.0504 7.83 7.83 0 -1 1726059 - 40.0 eV C([C@H]([C@@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3+,4+,5-/m1/s1 0.0 19363.5625 0.0 0.0 365.1633 2.65 2.65 0 -1 0.0 0.0 42217.6675 39887.235 265.0827 3.64 3.64 0 -1 0.0 0.0 13323.99325 42514.4135 130.0867 4.25 4.25 0 -1 17845.041 14984.005 0.0 0.0 194.9962 4.89 4.89 0 -1 0.0 0.0 31507.36 16415.44 111.0194 1.94 1.94 0 -1 0.0 37004.1975 31508.8585 49103.69 503.161 6.88 6.88 0 -1 ReSpect:PT205480 Maltotriose|Amylotriose|alpha-1,4-Glucotriose|Triomaltose|O-alpha-D-glucopyranosyl-O-alpha-D-glucopyranosyl-D-glucose|(Glc(alpha1-4)Glc(alpha1-4)Glc)|(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)O)O 1/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16?,17-,18-/m1/s1 43486.9545 35551.391 64817.189 0.0 460.0942 4.0 4.0 0 -1 78010.26 37295.836 102197.98 0.0 405.0796 5.39 5.39 0 -1 74250.644 26237.285 56074.8355 50750.735 128.0348 6.43 6.43 0 -1 50504.367 90111.21875 91116.26625 119196.33575 187.1084 5.46 5.46 0 -1 0.0 0.0 0.0 14117.454 415.1372 3.3 3.3 0 -1 52197.193750000006 90087.7675 87922.03374999999 65106.21000000001 367.1048 5.46 5.46 0 -1 18529.29875 17437.425 15302.169 33740.40375 102.0555 6.42 6.42 0 -1 0.0 0.0 0.0 17459.405 129.0186 5.46 5.46 0 -1 51853.0125 0.0 74809.58875 0.0 390.1219 6.46 6.46 0 -1 0.0 0.0 0.0 38223.35125000001 163.0606 5.15 5.15 0 -1 0.0 0.0 0.0 21163.8375 223.0452 6.02 6.02 0 -1 13601.212 0.0 18302.6975 0.0 341.1077 7.21 7.21 0 -1 83931.63124999999 0.0 0.0 20230.8125 351.088 6.05 6.05 0 -1 0.0 0.0 0.0 19316.91 153.0186 2.23 2.23 0 -1 0.0 29520.63975 14238.751 43732.716 203.082 4.41 4.41 0 -1 TRYPTOPHAN N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1 47407.30575 19300.07 47087.78325 65410.1655 127.0759 1.83 1.83 0 -1 29581.396500000003 0.0 66454.60875000001 0.0 331.1135 7.46 7.46 0 -1 108713.375 49991.380000000005 171489.075 81420.09625 145.0978 7.83 7.83 0 -1 248871.9425 189852.075 221344.31375 73321.195 359.0975 2.25 2.25 0 -1 91704.07625 55807.233 72586.26775 101730.36 171.0657 1.83 1.83 0 -1 283509.205 185071.1 249044.7125 14102.8025 164.0381 5.99 5.99 0 -1 0.0 0.0 0.0 15190.885 513.2189 2.91 2.91 0 -1 17592.0275 72515.80025 0.0 0.0 299.0765 3.39 3.39 0 -1 0.0 0.0 15280.538 0.0 524.1256 4.61 4.61 0 -1 31568.949 31962.451 53841.345 82094.4455 130.0868 4.08 4.08 0 -1 31994.0275 0.0 0.0 0.0 99.008 2.01 2.01 0 -1 29095.3725 0.0 0.0 0.0 204.1237 1.7 1.7 0 -1 Massbank:LU085152 Panthenol CC(C)(CO)C(O)C(=O)NCCCO 1S/C9H19NO4/c1-9(2,6-12)7(13)8(14)10-4-3-5-11/h7,11-13H,3-6H2,1-2H3,(H,10,14) 33624.54775 36402.2675 13338.002 0.0 243.0615 4.06 4.06 0 -1 0.0 0.0 13678.16125 0.0 156.0274 5.76 5.76 0 -1 639427.3300000001 507633.6 718575.91 578192.76 146.0454 6.43 6.43 0 -1 59463.27425 0.0 15052.72 12616.4075 248.96 5.79 5.79 0 -1 0.0 0.0 0.0 98439.61 267.0713 7.01 7.01 0 -1 172336.3075 111133.0415 184959.4475 31921.58125 369.1029 5.17 5.17 0 -1 16293.1455 0.0 0.0 0.0 194.082 3.71 3.71 0 -1 0.0 0.0 0.0 14573.1275 93.045 1.6 1.6 0 -1 72391.88425 0.0 34456.0975 41770.7005 131.0822 7.68 7.68 0 -1 16487.015 12763.2675 28082.075 107931.355 128.9589 5.1 5.1 0 -1 0.0 0.0 0.0 628564.23 863.2466 3.21 3.21 0 -1 Emodin-8-glucoside CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O InChI=1S/C21H20O10/c1-7-2-9-14(11(24)3-7)18(27)15-10(16(9)25)4-8(23)5-12(15)30-21-20(29)19(28)17(26)13(6-22)31-21/h2-5,13,17,19-24,26,28-29H,6H2,1H3/t13-,17-,19+,20-,21-/m1/s1 0.0 0.0 0.0 15390.3975 566.1565 6.77 6.77 0 -1 41830.085 0.0 13250.72175 39538.34375 158.978 9.84 9.84 0 -1 0.0 0.0 0.0 17972.76375 85.0289 6.18 6.18 0 -1 0.0 0.0 0.0 36260.36525 179.0555 6.75 6.75 0 -1 0.0 0.0 0.0 16192.91 116.0713 4.82 4.82 0 -1 0.0 0.0 0.0 35539.718250000005 380.8432 5.11 5.11 0 -1 0.0 0.0 0.0 38327.78125 610.1254 4.17 4.17 0 -1 0.0 0.0 0.0 67094.6465 441.1611 3.12 3.12 0 -1 0.0 0.0 0.0 24253.925 194.0816 1.93 1.93 0 -1 51358.41 0.0 18495.455 18906.345 468.1104 5.02 5.02 0 -1 143764.165 193826.1225 284606.025 237165.68 124.0067 5.87 5.87 0 -1 0.0 113885.745 0.0 15323.047 333.0587 8.21 8.21 0 -1 0.0 0.0 0.0 17194.62 217.0823 4.83 4.83 0 -1 12611.74 0.0 0.0 0.0 145.0135 5.39 5.39 0 -1 0.0 0.0 0.0 26834.296 442.1558 3.3 3.3 0 -1 84726.66900000001 16629.4325 105925.851 226213.835 111.0195 5.48 5.48 0 -1 0.0 0.0 14104.25875 0.0 181.0712 3.28 3.28 0 -1 0.0 0.0 0.0 13796.0075 283.1025 5.75 5.75 0 -1 0.0 0.0 0.0 279985.815 438.1252 4.31 4.31 0 -1 0.0 0.0 0.0 16001.7295 277.0557 5.57 5.57 0 -1 0.0 0.0 0.0 15059.5205 195.0657 2.07 2.07 0 -1 150723.98 73772.3475 95397.91625 116707.545 199.8044 6.06 6.06 0 -1 0.0 0.0 0.0 25251.629 118.0501 5.94 5.94 0 -1 0.0 0.0 0.0 40109.124500000005 229.071 2.62 2.62 0 -1 0.0 0.0 0.0 17578.3625 195.0505 7.98 7.98 0 -1 1726059 - 40.0 eV C([C@H]([C@@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3+,4+,5-/m1/s1 0.0 0.0 0.0 48109.59 243.0504 3.63 3.63 0 -1 0.0 0.0 0.0 52818.041 380.1556 3.93 3.93 0 -1 0.0 32228.87 27146.4375 0.0 566.1566 6.97 6.97 0 -1 12633.745 0.0 0.0 0.0 101.0241 5.46 5.46 0 -1 13784.9125 0.0 19257.515 115145.6075 157.0363 4.35 4.35 0 -1 ALLANTOIN N=C(O)NC1N=C(O)N=C1O InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11) 0.0 13718.16 26491.041 0.0 131.0821 7.98 7.98 0 -1 0.0 0.0 0.0 36528.68425 201.0761 1.53 1.53 0 -1 19042.055 0.0 34110.2185 35773.40875 628.171 4.56 4.56 0 -1 59597.3 32363.82 152499.57 138657.475 376.101 7.06 7.06 0 -1 26642.315 0.0 0.0 0.0 175.0243 3.42 3.42 0 -1 150389.0275 109388.032 32326.832500000004 92719.8175 337.077 6.9 6.9 0 -1 129499-78-1 O=C1O[C@H]([C@@H](O)CO)C(O)=C1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O InChI=1S/C12H18O11/c13-1-3(15)9-8(19)10(11(20)22-9)23-12-7(18)6(17)5(16)4(2-14)21-12/h3-7,9,12-19H,1-2H2/t3-,4+,5+,6-,7+,9+,12+/m0/s1 417558.9175 167524.09000000003 288005.605 468394.415 145.0614 6.17 6.17 0 -1 21472.01375 19332.004 17668.1875 60302.224 118.0504 5.84 5.84 0 -1 195207.26 178329.91749999998 238257.2475 71299.10875 460.0941 3.91 3.91 0 -1 116087.16875 43974.321500000005 85551.5875 116719.4625 114.0556 4.91 4.91 0 -1 28.031 28 0.8197 0 98 97 3 Cosine 0.8197 238.229 238 0.8901 0 98 50 3 Cosine 0.8901 28.031 28 0.7209 0 98 88 3 Cosine 0.7209 0.0 0 0.9526 0 98 99 3 Cosine 0.9526 -2.015 -2 0.8032 0 98 101 3 Cosine 0.8032 -3.018 -3 0.8953 0 98 102 3 Cosine 0.8953 28.031 28 0.715 0 146 184 17 Cosine 0.715 -15.996 -15 0.7371 0 146 202 17 Cosine 0.7371 264.245 264 0.9268 0 41 97 3 Cosine 0.9268 264.245 264 0.9257 0 41 88 3 Cosine 0.9257 26.016 26 0.8531 0 41 42 3 Cosine 0.8531 176.193 176 0.7115 0 41 66 3 Cosine 0.7115 26.016 26 0.9534 0 101 97 3 Cosine 0.9534 26.016 26 0.9077 0 101 88 3 Cosine 0.9077 -1.003 -1 0.9548 0 101 102 3 Cosine 0.9548 28.031 28 0.757 0 101 111 3 Cosine 0.757 -2.015 -2 0.8029 0 101 99 3 Cosine 0.8029 -8.983 -8 0.7346 0 316 53 6 Cosine 0.7346 -0.945 0 0.7656 0 316 314 6 Cosine 0.7656 16.99 16 0.8121 0 411 410 39 Cosine 0.8121 14.016 14 0.7856 0 258 215 21 Cosine 0.7856 166.172 166 0.8003 0 258 67 21 Cosine 0.8003 140.157 140 0.7851 0 258 70 21 Cosine 0.7851 38.052 38 0.8465 0 134 342 6 Cosine 0.8465 103.052 103 0.8246 0 377 383 6 Cosine 0.8246 -0.0 0 0.851 0 377 364 6 Cosine 0.851 -103.052 -103 0.8179 0 377 373 6 Cosine 0.8179 -30.011 -30 0.8805 0 377 374 6 Cosine 0.8805 -33.01 -33 0.8695 0 377 376 6 Cosine 0.8695 84.094 84 0.841 0 23 2 7 Cosine 0.841 28.031 28 0.8523 0 23 46 7 Cosine 0.8523 56.063 56 0.8627 0 23 5 7 Cosine 0.8627 84.094 84 0.7053 0 23 178 7 Cosine 0.7053 66.018 66 0.7518 0 309 337 6 Cosine 0.7518 44.973 44 0.778 0 309 333 6 Cosine 0.778 86.984 86 0.732 0 309 346 6 Cosine 0.732 0.0 0 0.8398 0 309 336 6 Cosine 0.8398 -150.053 -150 0.7934 0 55 106 6 Cosine 0.7934 -27.98 -27 0.915 0 55 339 6 Cosine 0.915 -83.026 -83 0.8014 0 243 233 6 Cosine 0.8014 13.031 13 0.7123 0 11 74 36 Cosine 0.7123 -188.081 -188 0.7838 0 347 311 6 Cosine 0.7838 59.973 59 0.7744 0 347 336 6 Cosine 0.7744 -46.042 -46 0.8902 0 107 83 9 Cosine 0.8902 46.041 46 0.8573 0 107 109 9 Cosine 0.8573 0.0 0 0.8878 0 319 285 27 Cosine 0.8878 62.019 62 0.8967 0 349 269 6 Cosine 0.8967 -162.053 -162 0.8509 0 349 383 6 Cosine 0.8509 84.058 84 0.8282 0 349 333 6 Cosine 0.8282 -0.0 0 0.8363 0 349 307 6 Cosine 0.8363 27.995 27 0.8185 0 349 240 6 Cosine 0.8185 -0.0 0 0.8814 0 349 323 6 Cosine 0.8814 27.995 27 0.8907 0 349 233 6 Cosine 0.8907 69.058 69 0.7833 0 349 313 6 Cosine 0.7833 -162.053 -162 0.8378 0 349 373 6 Cosine 0.8378 -35.977 -35 0.7644 0 358 341 6 Cosine 0.7644 44.05 44 0.7568 0 358 193 6 Cosine 0.7568 0.0 0 0.7876 0 358 298 6 Cosine 0.7876 -15.995 -15 0.8189 0 113 192 6 Cosine 0.8189 29.974 29 0.7569 0 331 335 6 Cosine 0.7569 -74.994 -74 0.7452 0 331 269 6 Cosine 0.7452 74.0 74 0.8742 0 331 337 6 Cosine 0.8742 110.013 110 0.7471 0 331 339 6 Cosine 0.7471 -188.113 -188 0.8531 0 331 345 6 Cosine 0.8531 -44.008 -44 0.7933 0 90 91 4 Cosine 0.7933 -30.011 -30 0.8933 0 218 190 6 Cosine 0.8933 -0.0 0 0.7766 0 218 154 6 Cosine 0.7766 -160.036 -160 0.7411 0 218 357 6 Cosine 0.7411 -160.037 -160 0.7579 0 218 341 6 Cosine 0.7579 -30.011 -30 0.8987 0 218 71 6 Cosine 0.8987 0.0 0 0.9523 0 218 222 6 Cosine 0.9523 -44.026 -44 0.7009 0 45 24 20 Cosine 0.7009 -0.0 0 0.7808 0 45 32 20 Cosine 0.7808 30.01 30 0.7806 0 364 374 6 Cosine 0.7806 0.0 0 0.8761 0 370 381 6 Cosine 0.8761 458.164 458 0.8146 0 370 384 6 Cosine 0.8146 296.111 296 0.7359 0 370 391 6 Cosine 0.7359 -440.198 -440 0.7435 0 370 282 6 Cosine 0.7435 -468.193 -468 0.7953 0 370 369 6 Cosine 0.7953 458.164 458 0.828 0 370 371 6 Cosine 0.828 -0.0 0 0.7785 0 373 362 6 Cosine 0.7785 0.0 0 0.8202 0 373 383 6 Cosine 0.8202 -162.053 -162 0.7863 0 373 307 6 Cosine 0.7863 -73.042 -73 0.7823 0 373 374 6 Cosine 0.7823 -70.042 -70 0.7817 0 373 376 6 Cosine 0.7817 -162.053 -162 0.816 0 373 323 6 Cosine 0.816 -134.058 -134 0.8275 0 373 209 6 Cosine 0.8275 -134.058 -134 0.8159 0 373 233 6 Cosine 0.8159 -224.075 -224 0.7718 0 53 346 6 Cosine 0.7718 -44.027 -44 0.7148 0 20 18 17 Cosine 0.7148 80.084 80 0.9485 0 137 145 16 Cosine 0.9485 170.094 170 0.943 0 137 142 16 Cosine 0.943 -1.98 -1 0.926 0 137 144 16 Cosine 0.926 55.99 55 0.8894 0 342 226 6 Cosine 0.8894 27.995 27 0.9438 0 342 229 6 Cosine 0.9438 55.99 55 0.8411 0 342 173 6 Cosine 0.8411 27.995 27 0.9302 0 342 236 6 Cosine 0.9302 27.995 27 0.9201 0 342 241 6 Cosine 0.9201 -7.028 -7 0.9122 0 342 286 6 Cosine 0.9122 -10.028 -10 0.9265 0 342 287 6 Cosine 0.9265 -296.111 -296 0.8829 0 342 343 6 Cosine 0.8829 -162.053 -162 0.8736 0 342 371 6 Cosine 0.8736 126.141 126 0.8291 0 70 215 21 Cosine 0.8291 26.015 26 0.9118 0 70 67 21 Cosine 0.9118 84.094 84 0.7543 0 148 9 5 Cosine 0.7543 0.0 0 0.9255 0 226 173 6 Cosine 0.9255 55.966 55 0.7845 0 226 225 6 Cosine 0.7845 27.995 27 0.9588 0 226 229 6 Cosine 0.9588 27.995 27 0.9118 0 226 236 6 Cosine 0.9118 27.995 27 0.9073 0 226 241 6 Cosine 0.9073 63.018 63 0.8532 0 226 286 6 Cosine 0.8532 66.019 66 0.868 0 226 287 6 Cosine 0.868 -240.121 -240 0.8826 0 226 343 6 Cosine 0.8826 -286.126 -286 0.788 0 226 345 6 Cosine 0.788 0.0 0 0.8832 0 338 324 6 Cosine 0.8832 -126.076 -126 0.798 0 338 382 6 Cosine 0.798 306.139 306 0.8338 0 338 322 6 Cosine 0.8338 -126.076 -126 0.791 0 338 372 6 Cosine 0.791 306.139 306 0.8048 0 338 308 6 Cosine 0.8048 296.111 296 0.7406 0 391 381 6 Cosine 0.7406 46.005 46 0.7388 0 391 392 6 Cosine 0.7388 -162.053 -162 0.8442 0 391 384 6 Cosine 0.8442 -162.053 -162 0.8581 0 391 361 6 Cosine 0.8581 -172.082 -172 0.7723 0 391 369 6 Cosine 0.7723 -162.053 -162 0.8004 0 391 371 6 Cosine 0.8004 -46.005 -46 0.868 0 391 388 6 Cosine 0.868 46.005 46 0.8036 0 391 394 6 Cosine 0.8036 -1.997 -1 0.8338 0 292 288 31 Cosine 0.8338 -22.981 -22 0.8184 0 333 335 6 Cosine 0.8184 -22.039 -22 0.8773 0 333 269 6 Cosine 0.8773 -0.984 0 0.8231 0 333 302 6 Cosine 0.8231 21.045 21 0.8315 0 333 337 6 Cosine 0.8315 -15.0 -15 0.8296 0 333 313 6 Cosine 0.8296 57.058 57 0.8728 0 333 339 6 Cosine 0.8728 42.011 42 0.7529 0 333 346 6 Cosine 0.7529 27.995 27 0.8818 0 291 287 6 Cosine 0.8818 -15.011 -15 0.8626 0 196 168 29 Cosine 0.8626 -134.058 -134 0.7669 0 240 383 6 Cosine 0.7669 27.995 27 0.805 0 240 323 6 Cosine 0.805 42.01 42 0.7835 0 317 164 19 Cosine 0.7835 -172.081 -172 0.7984 0 324 361 6 Cosine 0.7984 0.0 0 0.8211 0 324 298 6 Cosine 0.8211 306.139 306 0.8482 0 324 308 6 Cosine 0.8482 -35.977 -35 0.7677 0 324 320 6 Cosine 0.7677 306.139 306 0.874 0 324 322 6 Cosine 0.874 -126.076 -126 0.8274 0 324 372 6 Cosine 0.8274 -126.076 -126 0.8333 0 324 382 6 Cosine 0.8333 0.0 0 0.9195 0 241 229 6 Cosine 0.9195 27.995 27 0.8518 0 241 173 6 Cosine 0.8518 0.0 0 0.9391 0 241 236 6 Cosine 0.9391 38.023 38 0.8997 0 241 287 6 Cosine 0.8997 35.023 35 0.8857 0 241 286 6 Cosine 0.8857 -268.116 -268 0.8913 0 241 343 6 Cosine 0.8913 -98.027 -98 0.7865 0 192 266 6 Cosine 0.7865 0.0 0 0.8299 0 320 303 6 Cosine 0.8299 -162.053 -162 0.7978 0 320 382 6 Cosine 0.7978 -162.053 -162 0.7694 0 320 372 6 Cosine 0.7694 0.0 0 0.766 0 320 357 6 Cosine 0.766 -0.0 0 0.761 0 320 341 6 Cosine 0.761 14.016 14 0.7371 0 62 49 33 Cosine 0.7371 14.015 14 0.9476 0 62 79 33 Cosine 0.9476 -58.042 -58 0.7767 0 62 112 33 Cosine 0.7767 28.031 28 0.9101 0 62 131 33 Cosine 0.9101 -44.003 -44 0.7501 0 95 96 8 Cosine 0.7501 1.981 1 0.8857 0 95 93 8 Cosine 0.8857 -35.999 -35 0.7042 0 95 29 8 Cosine 0.7042 2.016 2 0.8823 0 95 87 8 Cosine 0.8823 -46.006 -46 0.8311 0 382 384 6 Cosine 0.8311 46.005 46 0.8386 0 382 361 6 Cosine 0.8386 -126.076 -126 0.8892 0 382 298 6 Cosine 0.8892 180.064 180 0.8437 0 382 308 6 Cosine 0.8437 180.064 180 0.876 0 382 322 6 Cosine 0.876 -162.053 -162 0.7997 0 382 341 6 Cosine 0.7997 -0.0 0 0.8806 0 382 372 6 Cosine 0.8806 46.005 46 0.8241 0 372 361 6 Cosine 0.8241 180.064 180 0.826 0 372 322 6 Cosine 0.826 -126.076 -126 0.8663 0 372 298 6 Cosine 0.8663 180.064 180 0.7992 0 372 308 6 Cosine 0.7992 -162.053 -162 0.8098 0 372 341 6 Cosine 0.8098 14.016 14 0.874 0 128 149 11 Cosine 0.874 27.995 27 0.8134 0 128 72 11 Cosine 0.8134 42.011 42 0.8395 0 128 206 11 Cosine 0.8395 -440.198 -440 0.7681 0 282 381 6 Cosine 0.7681 0.0 0 0.7624 0 282 297 6 Cosine 0.7624 17.966 17 0.8239 0 282 384 6 Cosine 0.8239 17.966 17 0.8544 0 282 371 6 Cosine 0.8544 27.995 27 0.831 0 282 369 6 Cosine 0.831 225.173 225 0.809 0 12 4 8 Cosine 0.809 1.908 1 0.7758 0 12 81 8 Cosine 0.7758 1.908 1 0.7388 0 12 104 8 Cosine 0.7388 208.108 208 0.9389 0 189 191 6 Cosine 0.9389 105.032 105 0.7536 0 189 194 6 Cosine 0.7536 -201.076 -201 0.9064 0 266 269 6 Cosine 0.9064 -5.957 -5 0.8675 0 266 264 6 Cosine 0.8675 -1.159 -1 0.7853 0 39 31 2 Cosine 0.7853 -0.0 0 0.7988 0 201 208 12 Cosine 0.7988 0.0 0 0.9268 0 236 229 6 Cosine 0.9268 27.995 27 0.8536 0 236 173 6 Cosine 0.8536 35.023 35 0.904 0 236 286 6 Cosine 0.904 38.023 38 0.9085 0 236 287 6 Cosine 0.9085 -268.116 -268 0.9097 0 236 343 6 Cosine 0.9097 -15.995 -15 0.8263 0 14 17 17 Cosine 0.8263 -60.021 -60 0.779 0 14 18 17 Cosine 0.779 38.125 38 0.748 0 14 184 17 Cosine 0.748 -5.902 -5 0.7667 0 14 202 17 Cosine 0.7667 -134.058 -134 0.7445 0 233 362 6 Cosine 0.7445 -134.058 -134 0.8416 0 233 383 6 Cosine 0.8416 6.026 6 0.7478 0 233 194 6 Cosine 0.7478 27.995 27 0.8688 0 233 323 6 Cosine 0.8688 25.02 25 0.7339 0 233 232 6 Cosine 0.7339 -70.005 -70 0.7346 0 190 325 6 Cosine 0.7346 -0.0 0 0.9049 0 190 71 6 Cosine 0.9049 30.01 30 0.7309 0 190 154 6 Cosine 0.7309 -30.01 -30 0.7753 0 190 222 6 Cosine 0.7753 28.031 28 0.8316 0 172 170 24 Cosine 0.8316 26.015 26 0.8302 0 172 171 24 Cosine 0.8302 28.031 28 0.8686 0 10 16 37 Cosine 0.8686 -28.032 -28 0.8426 0 10 3 37 Cosine 0.8426 26.017 26 0.8397 0 10 15 37 Cosine 0.8397 238.229 238 0.7769 0 42 97 3 Cosine 0.7769 238.229 238 0.7749 0 42 88 3 Cosine 0.7749 28.031 28 0.8948 0 42 50 3 Cosine 0.8948 0.984 0 0.7461 0 49 26 33 Cosine 0.7461 2.099 2 0.7074 0 49 65 33 Cosine 0.7074 -188.081 -188 0.8558 0 311 313 6 Cosine 0.8558 -44.026 -44 0.8074 0 18 17 17 Cosine 0.8074 2.016 2 0.8505 0 170 171 24 Cosine 0.8505 13.041 13 0.7893 0 199 52 8 Cosine 0.7893 28.032 28 0.7243 0 75 73 13 Cosine 0.7243 28.031 28 0.8123 0 75 76 13 Cosine 0.8123 80.027 80 0.751 0 193 357 6 Cosine 0.751 80.027 80 0.9072 0 193 341 6 Cosine 0.9072 80.027 80 0.8427 0 193 228 6 Cosine 0.8427 44.049 44 0.8647 0 193 298 6 Cosine 0.8647 14.015 14 0.7452 0 60 77 14 Cosine 0.7452 38.023 38 0.9002 0 287 229 6 Cosine 0.9002 66.019 66 0.8148 0 287 173 6 Cosine 0.8148 3.0 3 0.9545 0 287 286 6 Cosine 0.9545 -306.14 -306 0.8635 0 287 343 6 Cosine 0.8635 54.047 54 0.7411 0 111 97 3 Cosine 0.7411 54.047 54 0.731 0 111 88 3 Cosine 0.731 2.975 2 0.7675 0 232 231 6 Cosine 0.7675 -96.03 -96 0.7378 0 256 301 6 Cosine 0.7378 0.0 0 0.854 0 341 357 6 Cosine 0.854 -160.037 -160 0.7834 0 341 222 6 Cosine 0.7834 -0.0 0 0.9192 0 341 228 6 Cosine 0.9192 35.977 35 0.8799 0 341 298 6 Cosine 0.8799 42.011 42 0.7067 0 72 149 11 Cosine 0.7067 42.011 42 0.7377 0 72 160 11 Cosine 0.7377 458.164 458 0.8751 0 384 381 6 Cosine 0.8751 134.058 134 0.8176 0 384 322 6 Cosine 0.8176 -0.0 0 0.8739 0 384 361 6 Cosine 0.8739 -10.029 -10 0.9008 0 384 369 6 Cosine 0.9008 0.0 0 0.9543 0 384 371 6 Cosine 0.9543 -186.067 -186 0.8198 0 336 340 6 Cosine 0.8198 28.031 28 0.9561 0 2 5 7 Cosine 0.9561 112.126 112 0.8585 0 2 46 7 Cosine 0.8585 -1.997 -1 0.8052 0 294 295 18 Cosine 0.8052 10.01 10 0.7759 0 390 179 22 Cosine 0.7759 0.0 0 0.8184 0 390 405 22 Cosine 0.8184 0.0 0 0.8319 0 390 399 22 Cosine 0.8319 0.0 0 0.7524 0 390 395 22 Cosine 0.7524 -0.0 0 0.7879 0 383 362 6 Cosine 0.7879 -134.058 -134 0.8476 0 383 209 6 Cosine 0.8476 -162.053 -162 0.8103 0 383 307 6 Cosine 0.8103 -162.053 -162 0.8383 0 383 323 6 Cosine 0.8383 70.042 70 0.7691 0 383 376 6 Cosine 0.7691 -2.015 -2 0.7636 0 81 86 8 Cosine 0.7636 -0.0 0 0.9144 0 81 104 8 Cosine 0.9144 0.0 0 0.7445 0 303 357 6 Cosine 0.7445 -162.053 -162 0.7342 0 307 362 6 Cosine 0.7342 -0.0 0 0.8231 0 307 323 6 Cosine 0.8231 3.0 3 0.8603 0 376 374 6 Cosine 0.8603 0.001 0 0.8024 0 168 180 29 Cosine 0.8024 -149.06 -149 0.9146 0 141 145 16 Cosine 0.9146 -59.05 -59 0.9198 0 141 142 16 Cosine 0.9198 134.058 134 0.8469 0 308 361 6 Cosine 0.8469 0.0 0 0.9508 0 308 322 6 Cosine 0.9508 237.074 237 0.8091 0 308 318 6 Cosine 0.8091 18.01 18 0.7581 0 308 388 6 Cosine 0.7581 21.936 21 0.7755 0 191 301 6 Cosine 0.7755 -0.001 0 0.9477 0 3 16 37 Cosine 0.9477 -2.015 -2 0.862 0 3 15 37 Cosine 0.862 84.094 84 0.8814 0 5 46 7 Cosine 0.8814 140.157 140 0.7341 0 5 178 7 Cosine 0.7341 -70.005 -70 0.7639 0 71 325 6 Cosine 0.7639 -30.011 -30 0.746 0 71 154 6 Cosine 0.746 -30.011 -30 0.7636 0 71 222 6 Cosine 0.7636 -30.011 -30 0.8072 0 273 298 6 Cosine 0.8072 341.117 341 0.8137 0 335 329 6 Cosine 0.8137 44.026 44 0.9398 0 335 337 6 Cosine 0.9398 64.992 64 0.7762 0 335 346 6 Cosine 0.7762 64.006 64 0.8008 0 335 348 6 Cosine 0.8008 -268.116 -268 0.8811 0 343 229 6 Cosine 0.8811 -196.047 -196 0.8561 0 343 302 6 Cosine 0.8561 -303.139 -303 0.849 0 343 286 6 Cosine 0.849 -237.074 -237 0.8447 0 343 318 6 Cosine 0.8447 -210.063 -210 0.8628 0 343 313 6 Cosine 0.8628 -3.019 -3 0.8432 0 102 99 3 Cosine 0.8432 -0.0 0 0.8704 0 109 83 9 Cosine 0.8704 28.031 28 0.8506 0 99 97 3 Cosine 0.8506 28.031 28 0.7677 0 99 88 3 Cosine 0.7677 238.23 238 0.9085 0 99 50 3 Cosine 0.9085 210.198 210 0.723 0 99 51 3 Cosine 0.723 2.017 2 0.7349 0 85 86 8 Cosine 0.7349 -39.995 -39 0.7271 0 222 325 6 Cosine 0.7271 -0.0 0 0.7751 0 222 154 6 Cosine 0.7751 -160.037 -160 0.7614 0 222 357 6 Cosine 0.7614 -160.037 -160 0.7438 0 222 228 6 Cosine 0.7438 -174.065 -174 0.7464 0 302 301 6 Cosine 0.7464 -27.011 -27 0.7521 0 302 265 6 Cosine 0.7521 14.015 14 0.8919 0 302 313 6 Cosine 0.8919 41.026 41 0.8921 0 302 318 6 Cosine 0.8921 20.061 20 0.7244 0 302 337 6 Cosine 0.7244 56.073 56 0.7629 0 302 339 6 Cosine 0.7629 27.995 27 0.8713 0 206 149 11 Cosine 0.8713 27.995 27 0.8586 0 206 160 11 Cosine 0.8586 -15.994 -15 0.7271 0 206 251 11 Cosine 0.7271 -180.064 -180 0.7767 0 206 207 11 Cosine 0.7767 -0.001 0 0.8151 0 103 117 23 Cosine 0.8151 0.251 0 0.7602 0 276 288 31 Cosine 0.7602 -116.048 -116 0.859 0 388 361 6 Cosine 0.859 -0.0 0 0.7947 0 388 394 6 Cosine 0.7947 -152.068 -152 0.7362 0 207 149 11 Cosine 0.7362 -152.068 -152 0.7912 0 207 160 11 Cosine 0.7912 210.053 210 0.9476 0 207 203 11 Cosine 0.9476 248.009 248 0.8936 0 207 205 11 Cosine 0.8936 3.083 3 0.739 0 26 65 33 Cosine 0.739 93.065 93 0.8061 0 38 36 1 Cosine 0.8061 300.058 300 0.8112 0 313 398 6 Cosine 0.8112 -7.039 -7 0.7896 0 313 269 6 Cosine 0.7896 42.058 42 0.7979 0 313 339 6 Cosine 0.7979 27.011 27 0.8309 0 313 318 6 Cosine 0.8309 -12.996 -12 0.8155 0 313 265 6 Cosine 0.8155 -1.99 -1 0.8258 0 89 96 8 Cosine 0.8258 -0.997 0 0.9061 0 89 94 8 Cosine 0.9061 58.005 58 0.7124 0 89 104 8 Cosine 0.7124 83.962 83 0.7461 0 225 229 6 Cosine 0.7461 -55.966 -55 0.7509 0 225 173 6 Cosine 0.7509 -468.193 -468 0.7535 0 379 381 6 Cosine 0.7535 10.029 10 0.7716 0 379 371 6 Cosine 0.7716 0.0 0 0.789 0 379 369 6 Cosine 0.789 -126.077 -126 0.7546 0 379 394 6 Cosine 0.7546 134.058 134 0.8788 0 361 322 6 Cosine 0.8788 10.029 10 0.869 0 361 369 6 Cosine 0.869 -0.0 0 0.8497 0 361 371 6 Cosine 0.8497 82.064 82 0.9271 0 144 145 16 Cosine 0.9271 -34.042 -34 0.7052 0 52 29 8 Cosine 0.7052 -4.97 -4 0.7277 0 52 64 8 Cosine 0.7277 16.031 16 0.8222 0 52 7 8 Cosine 0.8222 27.995 27 0.7722 0 297 369 6 Cosine 0.7722 -134.058 -134 0.7718 0 209 362 6 Cosine 0.7718 27.995 27 0.8354 0 209 356 6 Cosine 0.8354 56.062 56 0.7841 0 46 178 7 Cosine 0.7841 28.03 28 0.8163 0 339 230 6 Cosine 0.8163 36.013 36 0.8544 0 339 337 6 Cosine 0.8544 -15.047 -15 0.7826 0 339 346 6 Cosine 0.7826 -16.033 -16 0.818 0 339 348 6 Cosine 0.818 2.015 2 0.7784 0 86 104 8 Cosine 0.7784 14.016 14 0.7186 0 47 50 3 Cosine 0.7186 -195.12 -195 0.9235 0 267 269 6 Cosine 0.9235 -306.139 -306 0.8306 0 298 322 6 Cosine 0.8306 35.978 35 0.836 0 298 357 6 Cosine 0.836 -35.977 -35 0.804 0 298 228 6 Cosine 0.804 -262.113 -262 0.7754 0 345 337 6 Cosine 0.7754 -286.126 -286 0.7297 0 345 173 6 Cosine 0.7297 0.0 0 0.7871 0 228 357 6 Cosine 0.7871 0.0 0 0.7549 0 399 405 22 Cosine 0.7549 0.0 0 0.7044 0 399 395 22 Cosine 0.7044 62.019 62 0.8828 0 323 269 6 Cosine 0.8828 -315.098 -315 0.79 0 323 340 6 Cosine 0.79 0.0 0 0.7599 0 149 160 11 Cosine 0.7599 152.156 152 0.8093 0 215 67 21 Cosine 0.8093 -237.074 -237 0.8466 0 318 322 6 Cosine 0.8466 14.015 14 0.8182 0 318 265 6 Cosine 0.8182 -39.011 -39 0.741 0 64 29 8 Cosine 0.741 0.036 0 0.9614 0 87 93 8 Cosine 0.9614 2.015 2 0.8746 0 15 16 37 Cosine 0.8746 -1.005 -1 0.7329 0 69 68 10 Cosine 0.7329 14.015 14 0.7008 0 69 253 10 Cosine 0.7008 327.121 327 0.8745 0 203 204 11 Cosine 0.8745 -37.956 -37 0.917 0 203 205 11 Cosine 0.917 88.052 88 0.7055 0 97 66 3 Cosine 0.7055 -0.0 0 0.8881 0 97 88 3 Cosine 0.8881 -90.01 -90 0.9366 0 145 142 16 Cosine 0.9366 20.966 20 0.7567 0 346 337 6 Cosine 0.7567 -0.986 0 0.757 0 346 348 6 Cosine 0.757 -72.058 -72 0.7745 0 112 79 33 Cosine 0.7745 86.073 86 0.8072 0 112 131 33 Cosine 0.8072 -0.96 0 0.8649 0 230 231 6 Cosine 0.8649 27.995 27 0.9311 0 229 173 6 Cosine 0.9311 35.023 35 0.8809 0 229 286 6 Cosine 0.8809 63.018 63 0.7962 0 173 286 6 Cosine 0.7962 134.058 134 0.7745 0 322 371 6 Cosine 0.7745 -44.026 -44 0.7662 0 184 202 17 Cosine 0.7662 14.015 14 0.9044 0 131 79 33 Cosine 0.9044 -44.026 -44 0.803 0 19 77 14 Cosine 0.803 -0.993 0 0.8772 0 96 94 8 Cosine 0.8772 -468.193 -468 0.8116 0 381 369 6 Cosine 0.8116 -458.164 -458 0.8624 0 381 371 6 Cosine 0.8624 342.116 342 0.7357 0 381 394 6 Cosine 0.7357 28.031 28 0.8937 0 51 50 3 Cosine 0.8937 -10.029 -10 0.8931 0 369 371 6 Cosine 0.8931 -126.077 -126 0.785 0 369 394 6 Cosine 0.785 nf_output/networking/network.graphml0000644000000000000000000066657714767267025017106 0ustar rootroot 0.0 0.0 25857.88875 0.0 450.2628 2.79 2.79 0 3 PE(16:1/0:0); [M-H]- C21H41N1O7P1 nan nan 0.0 0.0 0.0 18848.0825 283.0845 3.39 3.39 0 17 208206.9775 177930.63749999998 275445.57499999995 211560.6725 742.5388 2.04 2.04 0 3 Spectral Match to 1-Stearoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine from NIST14 nan nan 218755.2175 53542.61525 351959.645 203257.9365 452.2775 2.86 2.86 0 3 Spectral Match to 1-Palmitoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine from NIST14 CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O InChI=1S/C21H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)27-18-20(23)19-29-30(25,26)28-17-16-22/h20,23H,2-19,22H2,1H3,(H,25,26)/t20-/m1/s1 0.0 0.0 16030.90925 0.0 231.0589 6.32 6.32 0 6 84503.409 29093.1055 76481.96175 79326.55475000001 272.9586 9.84 9.84 0 39 0.0 0.0 21587.9075 0.0 196.072 5.58 5.58 0 21 N-Acetyl-L-histidine CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O InChI=1S/C8H11N3O3/c1-5(12)11-7(8(13)14)2-6-3-9-4-10-6/h3-4,7H,2H2,1H3,(H,9,10)(H,11,12)(H,13,14)/t7-/m0/s1 0.0 0.0 0.0 125406.0625 425.1659 3.29 3.29 0 6 Massbank:PR308942 Pentose-Hexose + C5H9 OC2COC(OCC1OC(OCC=C(C)C)C(O)C(O)C1(O))C(O)C2(O) 1S/C16H28O10/c1-7(2)3-4-23-16-14(22)12(20)11(19)9(26-16)6-25-15-13(21)10(18)8(17)5-24-15/h3,8-22H,4-6H2,1-2H3 0.0 0.0 0.0 54912.4325 669.2091 7.06 7.06 0 6 0.0 0.0 0.0 15588.2315 258.134 1.85 1.85 0 7 0.0 0.0 0.0 39399.19625 533.1352 6.19 6.19 0 6 20419.65625 16481.185 57882.835 0.0 403.1242 2.25 2.25 0 6 26476.872 0.0 0.0 0.0 515.1248 5.39 5.39 0 6 0.0 0.0 0.0 13228.6225 178.0502 1.68 1.68 0 36 0.0 0.0 0.0 12726.4675 473.1625 6.47 6.47 0 6 0.0 0.0 0.0 35029.557 509.1503 2.9 2.9 0 9 0.0 0.0 0.0 17533.71 369.1298 6.33 6.33 0 27 826483.9224999999 874047.5525 833590.45 757459.8875 404.1039 6.48 6.48 0 6 0.0 0.0 0.0 33144.5035 377.0851 6.75 6.75 0 6 melibiose CollisionEnergy:102040 OC[C@H]1O[C@H](OC[C@H]2OC(O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O "InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8+,9-,10-,11?,12+/m1/s1" 227620.834 291050.005 133450.9875 79403.759 151.0257 2.96 2.96 0 6 0.0 0.0 37230.8575 0.0 541.1171 6.43 6.43 0 6 0.0 0.0 0.0 17117.33 217.0328 2.72 2.72 0 4 157476.0725 208283.5175 445378.93750000006 291426.6 181.0714 5.04 5.04 0 6 D-Sorbitol CollisionEnergy:102040 OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO "InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1" 0.0 50894.105 0.0 0.0 360.2388 2.08 2.08 0 20 0.0 0.0 0.0 14038.8145 669.2089 6.89 6.89 0 6 16513.0975 50903.8975 72968.2415 25428.015 1007.3307 7.06 7.06 0 6 550033.205 556445.73 695003.025 420932.4275000001 566.1568 7.06 7.06 0 6 0.0 0.0 0.0 86270.38 222.0763 2.18 2.18 0 6 14620.248 0.0 13407.6125 0.0 397.2263 1.82 1.82 0 17 0.0 0.0 0.0 131682.0025 508.203 3.3 3.3 0 16 9081696.75 4386096.675 9824835.625 5972544.0 387.1137 6.46 6.46 0 6 sucrose OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1 0.0 31750.88 0.0 0.0 336.229 2.52 2.52 0 21 102393.501 33367.5625 0.0 43520.29675 188.0559 3.41 3.41 0 5 N-ACETYL-DL-GLUTAMIC ACID O=C(N[C@H](C(=O)O)CCC(=O)O)C InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t5-/m0/s1 110073.6825 48931.53525 117200.426 0.0 443.1039 5.17 5.17 0 6 246545.2125 221319.7125 273944.53250000003 237501.9625 377.0853 6.44 6.44 0 6 maltose CollisionEnergy:102040 OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O "InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12-/m1/s1" 0.0 0.0 0.0 19341.0725 553.1768 2.9 2.9 0 6 0.0 19532.46 51677.7475 59253.165 711.2197 7.55 7.55 0 6 maltotetraose OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22-,23-,24-/m1/s1 295015.705 281557.8325 184476.2275 168542.285 197.8074 6.05 6.05 0 31 952016.925 737143.91 1064552.455 825981.5325 488.1619 6.43 6.43 0 6 217932.6125 0.0 0.0 65611.9075 349.0902 6.05 6.05 0 6 62077.2775 0.0 67293.902 80312.89749999999 282.0837 4.56 4.56 0 29 GUANOSINE C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=NC2=O)N InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19) 209114.1725 165888.0825 308830.07 112946.45875 432.099 5.39 5.39 0 6 0.0 0.0 0.0 13478.0775 314.1243 6.33 6.33 0 19 20771.51375 59151.018500000006 29016.495 59255.7725 377.0853 6.38 6.38 0 6 maltose CollisionEnergy:102040 OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O "InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12-/m1/s1" 75862.025 36558.775 117313.3975 27404.98375 415.1085 5.39 5.39 0 6 809144.85 743235.285 824143.8 1048375.29 167.0207 4.38 4.38 0 6 URIC ACID C12=C(N=C(N=C1NC(=N2)O)O)O "InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)" 24169.825 116840.48750000002 114059.671 103982.191 341.108 6.38 6.38 0 6 MALTOSE C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H](CO)O[C@H]([C@@H]([C@H]2O)O)O)O)O)O)O "InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12-/m1/s1" 0.0 0.0 0.0 195740.375 229.1184 2.3 2.3 0 33 0.0 0.0 0.0 81837.4125 203.0332 2.73 2.73 0 8 123086.455 98489.1125 141445.50400000002 70564.1775 503.1611 7.22 7.22 0 6 RAFFINOSE CollisionEnergy:102040 OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O "InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1" 116371.4525 124670.1775 160113.4725 111126.2005 503.1611 7.06 7.06 0 6 RAFFINOSE C([C@@H]1[C@@H]([C@@H]([C@H](C(OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)O[C@@]3(CO)[C@H]([C@@H]([C@@H](CO)O3)O)O)O)O)O)O1)O)O)O)O "InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16?,17?,18+/m1/s1" 0.0 0.0 0.0 1246218.55 431.1189 3.21 3.21 0 11 Asperulosidic acid CC(=O)OCC1=C[C@H](O)[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12 InChI=1S/C18H24O12/c1-6(20)27-4-7-2-9(21)12-8(16(25)26)5-28-17(11(7)12)30-18-15(24)14(23)13(22)10(3-19)29-18/h2,5,9-15,17-19,21-24H,3-4H2,1H3,(H,25,26)/t9-,10+,11+,12-,13+,14-,15+,17-,18-/m0/s1 75193.89 85082.2575 162438.015 46900.0715 567.1329 6.03 6.03 0 6 13862.9625 0.0 0.0 0.0 188.949 1.7 1.7 0 8 0.0 0.0 0.0 28779.7475 543.1574 4.37 4.37 0 6 93592.4675 31094.098250000003 0.0 61124.09825 265.0473 5.86 5.86 0 6 0.0 22147.6175 0.0 0.0 360.2388 2.0 2.0 0 20 638019.7475 114344.497 143738.94 166137.4375 218.1031 2.02 2.02 0 2 0.0 0.0 0.0 15561.895 367.1046 4.64 4.64 0 12 49681.408500000005 13413.6095 74264.74625 0.0 415.1087 5.32 5.32 0 6 95574.044 76605.26775 80068.20925 67484.47899999999 293.1786 1.71 1.71 0 17 (1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one COc1ccc(/C=C/C(=O)/C=C/c2ccc(OC)cc2)cc1 InChI=1S/C19H18O3/c1-21-18-11-5-15(6-12-18)3-9-17(20)10-4-16-7-13-19(22-2)14-8-16/h3-14H,1-2H3/b9-3+,10-4+ 677719.7 641958.3574999999 623766.6799999999 44436.01875 432.0991 5.18 5.18 0 6 0.0 0.0 0.0 42502.3625 151.0608 4.38 4.38 0 6 xylitol CollisionEnergy:102040 OC[C@H](O)C(O)[C@H](O)CO "InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5?" 54531.86675 13736.835 0.0 14643.2575 569.2726 3.88 3.88 0 24 0.0 0.0 27151.983 24017.8825 802.5604 1.66 1.66 0 37 (2-{[3-(hexadecanoyloxy)-2-[octadeca-9.12-dienoyloxy]propyl phosphono]oxy}ethyl)trimethylazanium [H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\\C=C/C\\C=C/CCCCC InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h14,16,20-21,40H,6-13,15,17-19,22-39H2,1-5H3/b16-14-,21-20-/t40-/m1/s1 665784.8 468329.4075 656473.4850000001 482132.4275 716.5227 2.07 2.07 0 3 (2-aminoethoxy)[2-(hexadecanoyloxy)-3-[octadec-11-enoyloxy]propoxy]phosphinic acid [H][C@@](COC(=O)CCCCCCCCC\\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC InChI=1S/C39H76NO8P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h13,15,37H,3-12,14,16-36,40H2,1-2H3,(H,43,44)/b15-13-/t37-/m1/s1 0.0 28808.86125 0.0 0.0 414.1218 1.49 1.49 0 8 0.0 0.0 0.0 28843.5 243.1344 2.1 2.1 0 33 43700.63275 0.0 0.0 39065.3825 285.0815 6.27 6.27 0 6 41369.0035 55224.1675 24394.625 20534.9 353.1995 1.8 1.8 0 17 66860.95375 33804.39 138211.4785 105111.415 597.3036 3.8 3.8 0 24 PI(18:1/0:0); [M-H]- C27H50O12P1 nan nan 0.0 0.0 0.0 16626.2825 188.0348 4.56 4.56 0 8 150820.0575 107508.4365 219476.09000000003 135859.95 659.5124 2.56 2.56 0 13 0.0 0.0 0.0 82018.08 421.1348 4.38 4.38 0 6 0.0 0.0 0.0 37595.02875 260.1495 2.26 2.26 0 14 1352245.5225 770494.855 1937566.55 1748797.375 377.0854 6.03 6.03 0 6 sucrose OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1 0.0 0.0 0.0 13356.00875 424.2467 2.93 2.93 0 3 98389.24 25113.3825 63279.5425 0.0 457.1194 5.17 5.17 0 6 0.0 0.0 59946.0125 36665.4225 217.0824 5.5 5.5 0 6 2851404.175 1355745.3099999998 3223065.0 1866777.45 341.1081 6.46 6.46 0 6 sucrose OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1 0.0 0.0 0.0 75533.531 459.1137 2.53 2.53 0 11 187287.2225 84371.61750000001 171094.495 65380.4925 549.1667 7.25 7.25 0 6 maltotriose OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16?,17-,18-/m1/s1 0.0 0.0 0.0 64918.89 533.1352 6.44 6.44 0 6 0.0 12704.044 0.0 13569.5245 665.2147 7.56 7.56 0 6 maltotetraose OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22-,23-,24-/m1/s1 16143.706 25203.8085 0.0 0.0 342.2283 1.39 1.39 0 7 0.0 13598.672 13552.775 0.0 255.8217 6.08 6.08 0 18 372172.5225 228257.975 582377.49 158205.44825000002 154.0617 7.47 7.47 0 22 L-histidine N[C@@H](Cc1cnc[nH]1)C(=O)O InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1 431259.5725 315498.565 461837.49 246059.38750000004 566.1568 7.23 7.23 0 6 0.0 0.0 13355.8325 55211.87 187.0411 2.66 2.66 0 8 30695.8225 113902.6825 119642.1675 129322.931 341.108 6.18 6.18 0 6 MALTOSE C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H](CO)O[C@H]([C@@H]([C@H]2O)O)O)O)O)O)O "InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12-/m1/s1" 87360.186 283026.3225 235234.265 164841.8725 404.1038 6.18 6.18 0 6 0.0 17903.07 0.0 39195.27375 636.1987 7.06 7.06 0 6 522056.105 415284.2675 382438.87 681383.625 267.0729 3.74 3.74 0 29 INOSINE C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)CO)O)O InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18) 0.0 0.0 0.0 14153.915 165.0188 2.56 2.56 0 36 13854.334 14102.4925 0.0 0.0 279.0592 3.32 3.32 0 16 0.0 58549.471000000005 20496.185 0.0 683.2247 6.19 6.19 0 6 PALATINOSE C(C1C(C(C(C(O1)OCC2C(C(C(O2)(CO)O)O)O)O)O)O)O "InChI=1S/C12H22O11/c13-1-4-6(15)8(17)9(18)11(22-4)21-2-5-7(16)10(19)12(20,3-14)23-5/h4-11,13-20H,1-3H2" 80808.1375 89080.9025 110991.29750000002 156600.459 335.049 4.38 4.38 0 6 0.0 0.0 0.0 14659.5635 774.528 1.43 1.43 0 37 156051.206 190025.735 0.0 0.0 314.1969 1.49 1.49 0 7 0.0 0.0 0.0 28875.6175 151.0606 2.53 2.53 0 6 ARABITOL C([C@@H](C([C@H](CO)O)O)O)O "InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m0/s1" 0.0 0.0 0.0 244166.72 347.0744 6.01 6.01 0 6 102771.8185 53655.0875 82941.04999999999 176234.1375 164.0713 4.02 4.02 0 22 85640.4025 99774.87925 62593.105 59974.13924999999 309.1737 1.76 1.76 0 17 0.0 0.0 0.0 56614.48625 511.143 6.44 6.44 0 6 121760.96625 69641.5335 131936.08299999998 83972.51250000001 683.225 6.46 6.46 0 6 15099.7175 0.0 15793.6725 19335.371 453.2809 2.86 2.86 0 3 0.0 0.0 0.0 91004.45425 463.109 2.91 2.91 0 9 15639.65625 37469.1175 83645.7225 42972.6525 450.2623 2.85 2.85 0 3 PE(16:1/0:0); [M-H]- C21H41N1O7P1 nan nan 33074.775 0.0 0.0 0.0 191.0727 2.7 2.7 0 8 55730.905 89018.4325 49122.9835 610461.715 181.0713 5.15 5.15 0 6 Sorbitol - 40.0 eV C([C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O)O InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1 0.0 13957.953 13842.78 0.0 257.8186 6.08 6.08 0 18 542135.92 844201.9650000001 1054108.15 1197123.99 487.1776 6.17 6.17 0 6 0.0 0.0 0.0 1256037.125 389.108 4.69 4.69 0 11 Deacetylasperulosidic acid O=C(O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=C[C@H](O)[C@H]12 InChI=1S/C16H22O11/c17-2-5-1-7(19)10-6(14(23)24)4-25-15(9(5)10)27-16-13(22)12(21)11(20)8(3-18)26-16/h1,4,7-13,15-22H,2-3H2,(H,23,24)/t7-,8+,9+,10-,11+,12-,13+,15-,16-/m0/s1 15235.3775 0.0 0.0 101585.19475 305.0683 2.87 2.87 0 23 0.0 0.0 0.0 118273.615 196.0606 6.02 6.02 0 31 0.0 19948.68 63010.439 59690.755000000005 665.2144 7.4 7.4 0 6 maltotetraose OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22-,23-,24-/m1/s1 0.0 0.0 0.0 87699.1445 569.1715 4.7 4.7 0 11 0.0 0.0 0.0 18811.215 244.1183 1.89 1.89 0 33 19999.7975 0.0 0.0 0.0 437.2136 2.02 2.02 0 1 D-pantothenic acid CollisionEnergy:102040 CC(C)(CO)C(O)C(O)=NCCC(=O)O "InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)" 55163.22325 42328.0415 0.0 156258.865 473.1622 6.29 6.29 0 6 0.0 0.0 0.0 38784.7275 245.0465 2.72 2.72 0 8 77269.63249999999 78476.38500000001 110176.14 34316.6275 499.0703 5.16 5.16 0 6 25779.4715 13747.68 28334.244 13135.5605 539.1376 7.21 7.21 0 6 238139.7425 172564.5725 149534.6875 135039.49 195.8101 6.04 6.04 0 31 0.0 74112.9715 99553.1465 98138.645 549.1665 6.88 6.88 0 6 maltotriose OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16?,17-,18-/m1/s1 0.0 0.0 0.0 17482.1 510.183 3.34 3.34 0 16 0.0 0.0 0.0 199808.4425 201.076 2.18 2.18 0 8 0.0 0.0 14771.1325 0.0 567.1324 6.12 6.12 0 6 84257.46725 75595.8525 154983.2975 69698.95999999999 687.5441 2.53 2.53 0 13 120029.645 50266.8935 94459.92 82185.99 173.104 7.68 7.68 0 6 158257.805 493060.1875 409367.09 159962.23075 432.0991 4.8 4.8 0 6 0.0 0.0 0.0 16598.1725 241.0351 2.38 2.38 0 33 0.0 0.0 0.0 15833.6035 230.1026 2.09 2.09 0 7 0.0 0.0 0.0 25596.5185 431.1042 6.44 6.44 0 6 30933.3275 0.0 59529.64825 45854.6175 189.0561 2.7 2.7 0 8 222311.145 78882.0525 0.0 98715.20875 259.0908 5.84 5.84 0 6 0.0 13106.54875 0.0 0.0 702.5076 2.09 2.09 0 3 PE(15:0/18:1); [M-H]- C38H73N1O8P1 nan nan 15514.28 49430.9725 92933.8675 22473.17 271.0033 5.87 5.87 0 6 228932.23375 209084.4575 249947.715 260118.7425 377.0854 6.13 6.13 0 6 Palatinose CollisionEnergy:102040 OC[C@H]1O[C@H](OC[C@H]2OC(O)(CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O "InChI=1S/C12H22O11/c13-1-4-6(15)8(17)9(18)11(22-4)21-2-5-7(16)10(19)12(20,3-14)23-5/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11+,12?/m1/s1" 229484.535 118583.256 241901.405 144828.05375 729.2302 6.46 6.46 0 6 0.0 0.0 19977.1915 0.0 221.0659 6.38 6.38 0 6 448145.875 291080.1225 484850.825 134326.616 341.1079 5.17 5.17 0 6 SUCROSE C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@]2(CO)[C@H]([C@@H]([C@@H](CO)O2)O)O)O)O)O)O "InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1" 57914.8775 16179.9675 123975.9875 0.0 154.0617 7.82 7.82 0 22 0.0 293387.9525 85544.11 279649.65 404.1039 6.38 6.38 0 6 0.0 0.0 0.0 35923.94 341.1078 6.75 6.75 0 6 Gentiobiose C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O)O)O)O AYRXSINWFIIFAE-UDKQPYHCSA-N 0.0 0.0 0.0 45649.9575 267.0724 4.02 4.02 0 29 INOSINE C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)CO)O)O InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18) 0.0 0.0 0.0 16114.6675 405.1023 5.46 5.46 0 11 0.0 0.0 0.0 171931.7225 417.1031 3.42 3.42 0 11 0.0 0.0 0.0 13936.51375 261.0406 2.72 2.72 0 4 0.0 0.0 32531.27925 0.0 210.0878 5.0 5.0 0 21 127854.355 143166.11500000002 229569.1125 174111.50499999998 446.1511 6.33 6.33 0 6 0.0 0.0 0.0 100002.983 417.1031 3.55 3.55 0 11 0.0 0.0 0.0 12670.28125 639.1984 7.06 7.06 0 6 0.0 36451.405 0.0 0.0 362.2442 2.42 2.42 0 21 0.0 13041.248 0.0 0.0 206.0455 2.36 2.36 0 8 72300.924 19763.4175 0.0 86823.755 460.1665 5.86 5.86 0 6 42643.558 16674.34 100379.32275 25331.371 595.288 3.83 3.83 0 24 PI(18:2/0:0); [M-H]- C27H48O12P1 nan nan 0.0 0.0 0.0 162569.3525 438.1249 4.4 4.4 0 6 21053.9425 49986.975000000006 72171.9975 17342.1975 205.0496 2.7 2.7 0 8 0.0 0.0 26481.50625 22067.9785 776.5434 1.75 1.75 0 37 38748.8475 23921.495 32581.285 177650.98249999998 466.1233 5.87 5.87 0 6 13653.1475 0.0 16058.925 75759.98 161.0449 2.49 2.49 0 10 Meglutol CC(O)(CC(=O)O)CC(=O)O InChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10) 28052.64925 59750.7505 62220.985 69121.89050000001 205.0139 2.72 2.72 0 8 27563.6185 0.0 13045.9225 34464.00925 147.0294 5.46 5.46 0 10 0.0 0.0 0.0 583259.9575 779.2248 4.67 4.67 0 11 98666.9775 32253.27 113610.2925 66441.62 478.2936 2.78 2.78 0 3 PE(18:1/0:0); [M-H]- C23H45N1O7P1 nan nan 0.0 0.0 0.0 212068.38 404.1038 6.75 6.75 0 6 0.0 0.0 0.0 192719.31 452.1041 4.67 4.67 0 11 0.0 0.0 22720.7675 0.0 154.0617 7.98 7.98 0 22 13585.6065 0.0 0.0 0.0 289.9484 9.84 9.84 0 39 42023.38425 59114.18 28301.256 16393.4335 216.9438 2.0 2.0 0 2 0.0 34097.0625 0.0 0.0 428.1189 3.39 3.39 0 16 62649.12975 0.0 48647.84775 52434.068 446.1511 6.46 6.46 0 6 0.0 0.0 0.0 47357.13625 287.1609 2.94 2.94 0 33 13302.8935 0.0 32450.8825 0.0 459.1342 5.17 5.17 0 6 0.0 0.0 18422.24 24220.165 478.2934 2.71 2.71 0 3 PE(18:1/0:0); [M-H]- C23H45N1O7P1 nan nan 2355847.625 1465000.0499999998 2532130.5 719515.6224999999 415.1088 5.17 5.17 0 6 CHEMBL1513915 CCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)COc1cc(C)c(Cl)cc1 InChI=1S/C22H23ClN2O4/c1-3-28-22(27)20(11-15-12-24-19-7-5-4-6-17(15)19)25-21(26)13-29-16-8-9-18(23)14(2)10-16/h4-10,12,20,24H,3,11,13H2,1-2H3,(H,25,26) 0.0 0.0 0.0 13375.94325 447.1374 6.47 6.47 0 6 124884.54875 78459.5375 48037.6325 41916.0165 154.0617 7.68 7.68 0 22 52618.115 38362.2335 64761.41900000001 0.0 443.1039 3.9 3.9 0 6 30887.3575 235437.5325 164039.5125 151129.1125 683.2247 6.38 6.38 0 6 PALATINOSE C(C1C(C(C(C(O1)OCC2C(C(C(O2)(CO)O)O)O)O)O)O)O "InChI=1S/C12H22O11/c13-1-4-6(15)8(17)9(18)11(22-4)21-2-5-7(16)10(19)12(20,3-14)23-5/h4-11,13-20H,1-3H2" 0.0 0.0 0.0 18679.11 255.0538 4.1 4.1 0 17 174582.5325 108408.365 98632.61400000002 53644.915 201.0877 3.27 3.27 0 33 0.0 0.0 0.0 21414.01 230.1141 6.31 6.31 0 6 13809.38 13262.746 42854.11375 26771.4365 719.202 6.44 6.44 0 6 0.0 0.0 0.0 39551.945 202.1079 1.8 1.8 0 14 0.0 0.0 15897.38 164044.575 215.103 2.65 2.65 0 33 104397.738 64707.373750000006 82153.49250000001 95832.7825 313.1125 6.17 6.17 0 6 0.0 0.0 12838.11425 0.0 247.0364 2.74 2.74 0 8 0.0 0.0 0.0 28590.0245 246.0438 2.73 2.73 0 8 0.0 0.0 19440.209 12646.1175 467.1168 6.44 6.44 0 6 12530.02925 0.0 19592.0375 0.0 1007.3305 7.22 7.22 0 6 0.0 0.0 17788.2075 0.0 566.3458 2.42 2.42 0 3 Massbank:PR309160 LPC 18:1 O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCCCCCCCC 1S/C26H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h12-13,25,28H,5-11,14-24H2,1-4H3 0.0 0.0 0.0 60959.825 187.0413 2.87 2.87 0 8 0.0 0.0 23660.3975 180693.41825 217.1074 1.56 1.56 0 8 0.0 0.0 0.0 16340.84875 367.1048 4.7 4.7 0 12 0.0 0.0 0.0 82172.66100000001 181.0712 3.5 3.5 0 6 Spectral Match to Dulcitol from NIST14 nan nan 142811.7225 19509.31 132581.2175 179125.02750000003 174.0403 4.0 4.0 0 7 N-Acetyl-L-aspartic acid - 40.0 eV CC(=O)N[C@@H](CC(=O)O)C(=O)O InChI=1S/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t4-/m0/s1 0.0 0.0 13155.89 0.0 338.1088 3.34 3.34 0 16 0.0 0.0 0.0 14702.8775 631.481 2.61 2.61 0 13 15846.5225 216476.2475 298524.85250000004 254061.6725 566.1567 6.88 6.88 0 6 15402.59 16423.375 15772.36625 0.0 460.094 5.17 5.17 0 6 0.0 49450.331000000006 0.0 31771.561 852.2605 6.43 6.43 0 6 0.0 0.0 0.0 13011.1095 305.0694 3.04 3.04 0 23 129526.70500000002 140590.9925 155913.62 215653.715 660.4605 2.13 2.13 0 3 PE(14:0/16:1); [M-H]- C35H67N1O8P1 nan nan 0.0 0.0 0.0 14541.77625 463.1088 2.68 2.68 0 9 0.0 0.0 62833.00675 51868.4225 774.5289 1.76 1.76 0 37 0.0 0.0 0.0 19533.8775 369.1302 6.03 6.03 0 27 0.0 0.0 0.0 31846.840750000003 817.1808 4.68 4.68 0 11 0.0 0.0 0.0 115957.194 246.1341 2.61 2.61 0 14 0.0 0.0 0.0 33989.4525 299.0802 4.64 4.64 0 17 72856.5625 0.0 111931.22 150824.92250000002 167.0344 1.94 1.94 0 8 Homogentisic acid O=C(O)Cc1c(O)ccc(O)c1 InChI=1S/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12) 0.0 0.0 0.0 16711.3925 160.0398 2.44 2.44 0 10 1111073.35 993683.325 1114146.435 1031145.875 688.492 2.1 2.1 0 3 PE(16:0/16:1); [M-H]- C37H71N1O8P1 nan nan 0.0 16452.23625 0.0 0.0 316.2126 1.87 1.87 0 20 321938.0675 128107.55125 112396.775 137348.6875 356.1347 3.7 3.7 0 19 0.0 0.0 0.0 16860.7725 272.1497 1.63 1.63 0 5 42093.057 28404.34175 55845.43075000001 13109.03125 539.1378 7.05 7.05 0 6 Melezitose OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O InChI=1S/C18H32O16/c19-1-5-8(23)11(26)13(28)16(30-5)32-15-10(25)7(3-21)33-18(15,4-22)34-17-14(29)12(27)9(24)6(2-20)31-17/h5-17,19-29H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15+,16-,17-,18+/m1/s1 59887.87 25372.4225 124439.6325 112715.98275 380.0858 6.03 6.03 0 6 21131.74 0.0 0.0 16909.20125 530.2785 2.02 2.02 0 1 200268.8025 178963.31875000003 266136.36250000005 174250.9525 549.1667 7.06 7.06 0 6 maltotriose OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16?,17-,18-/m1/s1 13751.8175 0.0 0.0 0.0 665.2145 7.66 7.66 0 6 maltotetraose OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22-,23-,24-/m1/s1 28.031 28 0.8197 0 98 97 3 Cosine 0.8197 238.229 238 0.8901 0 98 50 3 Cosine 0.8901 28.031 28 0.7209 0 98 88 3 Cosine 0.7209 0.0 0 0.9526 0 98 99 3 Cosine 0.9526 -2.015 -2 0.8032 0 98 101 3 Cosine 0.8032 -3.018 -3 0.8953 0 98 102 3 Cosine 0.8953 28.031 28 0.715 0 146 184 17 Cosine 0.715 -15.996 -15 0.7371 0 146 202 17 Cosine 0.7371 264.245 264 0.9268 0 41 97 3 Cosine 0.9268 264.245 264 0.9257 0 41 88 3 Cosine 0.9257 26.016 26 0.8531 0 41 42 3 Cosine 0.8531 176.193 176 0.7115 0 41 66 3 Cosine 0.7115 26.016 26 0.9534 0 101 97 3 Cosine 0.9534 26.016 26 0.9077 0 101 88 3 Cosine 0.9077 -1.003 -1 0.9548 0 101 102 3 Cosine 0.9548 28.031 28 0.757 0 101 111 3 Cosine 0.757 -2.015 -2 0.8029 0 101 99 3 Cosine 0.8029 -8.983 -8 0.7346 0 316 53 6 Cosine 0.7346 -0.945 0 0.7656 0 316 314 6 Cosine 0.7656 16.99 16 0.8121 0 411 410 39 Cosine 0.8121 14.016 14 0.7856 0 258 215 21 Cosine 0.7856 166.172 166 0.8003 0 258 67 21 Cosine 0.8003 140.157 140 0.7851 0 258 70 21 Cosine 0.7851 38.052 38 0.8465 0 134 342 6 Cosine 0.8465 103.052 103 0.8246 0 377 383 6 Cosine 0.8246 -0.0 0 0.851 0 377 364 6 Cosine 0.851 -103.052 -103 0.8179 0 377 373 6 Cosine 0.8179 -30.011 -30 0.8805 0 377 374 6 Cosine 0.8805 -33.01 -33 0.8695 0 377 376 6 Cosine 0.8695 84.094 84 0.841 0 23 2 7 Cosine 0.841 28.031 28 0.8523 0 23 46 7 Cosine 0.8523 56.063 56 0.8627 0 23 5 7 Cosine 0.8627 84.094 84 0.7053 0 23 178 7 Cosine 0.7053 66.018 66 0.7518 0 309 337 6 Cosine 0.7518 44.973 44 0.778 0 309 333 6 Cosine 0.778 86.984 86 0.732 0 309 346 6 Cosine 0.732 0.0 0 0.8398 0 309 336 6 Cosine 0.8398 -150.053 -150 0.7934 0 55 106 6 Cosine 0.7934 -27.98 -27 0.915 0 55 339 6 Cosine 0.915 -83.026 -83 0.8014 0 243 233 6 Cosine 0.8014 13.031 13 0.7123 0 11 74 36 Cosine 0.7123 -188.081 -188 0.7838 0 347 311 6 Cosine 0.7838 59.973 59 0.7744 0 347 336 6 Cosine 0.7744 -46.042 -46 0.8902 0 107 83 9 Cosine 0.8902 46.041 46 0.8573 0 107 109 9 Cosine 0.8573 0.0 0 0.8878 0 319 285 27 Cosine 0.8878 62.019 62 0.8967 0 349 269 6 Cosine 0.8967 -162.053 -162 0.8509 0 349 383 6 Cosine 0.8509 84.058 84 0.8282 0 349 333 6 Cosine 0.8282 -0.0 0 0.8363 0 349 307 6 Cosine 0.8363 27.995 27 0.8185 0 349 240 6 Cosine 0.8185 -0.0 0 0.8814 0 349 323 6 Cosine 0.8814 27.995 27 0.8907 0 349 233 6 Cosine 0.8907 69.058 69 0.7833 0 349 313 6 Cosine 0.7833 -162.053 -162 0.8378 0 349 373 6 Cosine 0.8378 -35.977 -35 0.7644 0 358 341 6 Cosine 0.7644 44.05 44 0.7568 0 358 193 6 Cosine 0.7568 0.0 0 0.7876 0 358 298 6 Cosine 0.7876 -15.995 -15 0.8189 0 113 192 6 Cosine 0.8189 29.974 29 0.7569 0 331 335 6 Cosine 0.7569 -74.994 -74 0.7452 0 331 269 6 Cosine 0.7452 74.0 74 0.8742 0 331 337 6 Cosine 0.8742 110.013 110 0.7471 0 331 339 6 Cosine 0.7471 -188.113 -188 0.8531 0 331 345 6 Cosine 0.8531 -44.008 -44 0.7933 0 90 91 4 Cosine 0.7933 -30.011 -30 0.8933 0 218 190 6 Cosine 0.8933 -0.0 0 0.7766 0 218 154 6 Cosine 0.7766 -160.036 -160 0.7411 0 218 357 6 Cosine 0.7411 -160.037 -160 0.7579 0 218 341 6 Cosine 0.7579 -30.011 -30 0.8987 0 218 71 6 Cosine 0.8987 0.0 0 0.9523 0 218 222 6 Cosine 0.9523 -44.026 -44 0.7009 0 45 24 20 Cosine 0.7009 -0.0 0 0.7808 0 45 32 20 Cosine 0.7808 30.01 30 0.7806 0 364 374 6 Cosine 0.7806 0.0 0 0.8761 0 370 381 6 Cosine 0.8761 458.164 458 0.8146 0 370 384 6 Cosine 0.8146 296.111 296 0.7359 0 370 391 6 Cosine 0.7359 -440.198 -440 0.7435 0 370 282 6 Cosine 0.7435 -468.193 -468 0.7953 0 370 369 6 Cosine 0.7953 458.164 458 0.828 0 370 371 6 Cosine 0.828 -0.0 0 0.7785 0 373 362 6 Cosine 0.7785 0.0 0 0.8202 0 373 383 6 Cosine 0.8202 -162.053 -162 0.7863 0 373 307 6 Cosine 0.7863 -73.042 -73 0.7823 0 373 374 6 Cosine 0.7823 -70.042 -70 0.7817 0 373 376 6 Cosine 0.7817 -162.053 -162 0.816 0 373 323 6 Cosine 0.816 -134.058 -134 0.8275 0 373 209 6 Cosine 0.8275 -134.058 -134 0.8159 0 373 233 6 Cosine 0.8159 -224.075 -224 0.7718 0 53 346 6 Cosine 0.7718 -44.027 -44 0.7148 0 20 18 17 Cosine 0.7148 80.084 80 0.9485 0 137 145 16 Cosine 0.9485 170.094 170 0.943 0 137 142 16 Cosine 0.943 -1.98 -1 0.926 0 137 144 16 Cosine 0.926 55.99 55 0.8894 0 342 226 6 Cosine 0.8894 27.995 27 0.9438 0 342 229 6 Cosine 0.9438 55.99 55 0.8411 0 342 173 6 Cosine 0.8411 27.995 27 0.9302 0 342 236 6 Cosine 0.9302 27.995 27 0.9201 0 342 241 6 Cosine 0.9201 -7.028 -7 0.9122 0 342 286 6 Cosine 0.9122 -10.028 -10 0.9265 0 342 287 6 Cosine 0.9265 -296.111 -296 0.8829 0 342 343 6 Cosine 0.8829 -162.053 -162 0.8736 0 342 371 6 Cosine 0.8736 126.141 126 0.8291 0 70 215 21 Cosine 0.8291 26.015 26 0.9118 0 70 67 21 Cosine 0.9118 84.094 84 0.7543 0 148 9 5 Cosine 0.7543 0.0 0 0.9255 0 226 173 6 Cosine 0.9255 55.966 55 0.7845 0 226 225 6 Cosine 0.7845 27.995 27 0.9588 0 226 229 6 Cosine 0.9588 27.995 27 0.9118 0 226 236 6 Cosine 0.9118 27.995 27 0.9073 0 226 241 6 Cosine 0.9073 63.018 63 0.8532 0 226 286 6 Cosine 0.8532 66.019 66 0.868 0 226 287 6 Cosine 0.868 -240.121 -240 0.8826 0 226 343 6 Cosine 0.8826 -286.126 -286 0.788 0 226 345 6 Cosine 0.788 0.0 0 0.8832 0 338 324 6 Cosine 0.8832 -126.076 -126 0.798 0 338 382 6 Cosine 0.798 306.139 306 0.8338 0 338 322 6 Cosine 0.8338 -126.076 -126 0.791 0 338 372 6 Cosine 0.791 306.139 306 0.8048 0 338 308 6 Cosine 0.8048 296.111 296 0.7406 0 391 381 6 Cosine 0.7406 46.005 46 0.7388 0 391 392 6 Cosine 0.7388 -162.053 -162 0.8442 0 391 384 6 Cosine 0.8442 -162.053 -162 0.8581 0 391 361 6 Cosine 0.8581 -172.082 -172 0.7723 0 391 369 6 Cosine 0.7723 -162.053 -162 0.8004 0 391 371 6 Cosine 0.8004 -46.005 -46 0.868 0 391 388 6 Cosine 0.868 46.005 46 0.8036 0 391 394 6 Cosine 0.8036 -1.997 -1 0.8338 0 292 288 31 Cosine 0.8338 -22.981 -22 0.8184 0 333 335 6 Cosine 0.8184 -22.039 -22 0.8773 0 333 269 6 Cosine 0.8773 -0.984 0 0.8231 0 333 302 6 Cosine 0.8231 21.045 21 0.8315 0 333 337 6 Cosine 0.8315 -15.0 -15 0.8296 0 333 313 6 Cosine 0.8296 57.058 57 0.8728 0 333 339 6 Cosine 0.8728 42.011 42 0.7529 0 333 346 6 Cosine 0.7529 27.995 27 0.8818 0 291 287 6 Cosine 0.8818 -15.011 -15 0.8626 0 196 168 29 Cosine 0.8626 -134.058 -134 0.7669 0 240 383 6 Cosine 0.7669 27.995 27 0.805 0 240 323 6 Cosine 0.805 42.01 42 0.7835 0 317 164 19 Cosine 0.7835 -172.081 -172 0.7984 0 324 361 6 Cosine 0.7984 0.0 0 0.8211 0 324 298 6 Cosine 0.8211 306.139 306 0.8482 0 324 308 6 Cosine 0.8482 -35.977 -35 0.7677 0 324 320 6 Cosine 0.7677 306.139 306 0.874 0 324 322 6 Cosine 0.874 -126.076 -126 0.8274 0 324 372 6 Cosine 0.8274 -126.076 -126 0.8333 0 324 382 6 Cosine 0.8333 0.0 0 0.9195 0 241 229 6 Cosine 0.9195 27.995 27 0.8518 0 241 173 6 Cosine 0.8518 0.0 0 0.9391 0 241 236 6 Cosine 0.9391 38.023 38 0.8997 0 241 287 6 Cosine 0.8997 35.023 35 0.8857 0 241 286 6 Cosine 0.8857 -268.116 -268 0.8913 0 241 343 6 Cosine 0.8913 -98.027 -98 0.7865 0 192 266 6 Cosine 0.7865 0.0 0 0.8299 0 320 303 6 Cosine 0.8299 -162.053 -162 0.7978 0 320 382 6 Cosine 0.7978 -162.053 -162 0.7694 0 320 372 6 Cosine 0.7694 0.0 0 0.766 0 320 357 6 Cosine 0.766 -0.0 0 0.761 0 320 341 6 Cosine 0.761 14.016 14 0.7371 0 62 49 33 Cosine 0.7371 14.015 14 0.9476 0 62 79 33 Cosine 0.9476 -58.042 -58 0.7767 0 62 112 33 Cosine 0.7767 28.031 28 0.9101 0 62 131 33 Cosine 0.9101 -44.003 -44 0.7501 0 95 96 8 Cosine 0.7501 1.981 1 0.8857 0 95 93 8 Cosine 0.8857 -35.999 -35 0.7042 0 95 29 8 Cosine 0.7042 2.016 2 0.8823 0 95 87 8 Cosine 0.8823 -46.006 -46 0.8311 0 382 384 6 Cosine 0.8311 46.005 46 0.8386 0 382 361 6 Cosine 0.8386 -126.076 -126 0.8892 0 382 298 6 Cosine 0.8892 180.064 180 0.8437 0 382 308 6 Cosine 0.8437 180.064 180 0.876 0 382 322 6 Cosine 0.876 -162.053 -162 0.7997 0 382 341 6 Cosine 0.7997 -0.0 0 0.8806 0 382 372 6 Cosine 0.8806 46.005 46 0.8241 0 372 361 6 Cosine 0.8241 180.064 180 0.826 0 372 322 6 Cosine 0.826 -126.076 -126 0.8663 0 372 298 6 Cosine 0.8663 180.064 180 0.7992 0 372 308 6 Cosine 0.7992 -162.053 -162 0.8098 0 372 341 6 Cosine 0.8098 14.016 14 0.874 0 128 149 11 Cosine 0.874 27.995 27 0.8134 0 128 72 11 Cosine 0.8134 42.011 42 0.8395 0 128 206 11 Cosine 0.8395 -440.198 -440 0.7681 0 282 381 6 Cosine 0.7681 0.0 0 0.7624 0 282 297 6 Cosine 0.7624 17.966 17 0.8239 0 282 384 6 Cosine 0.8239 17.966 17 0.8544 0 282 371 6 Cosine 0.8544 27.995 27 0.831 0 282 369 6 Cosine 0.831 225.173 225 0.809 0 12 4 8 Cosine 0.809 1.908 1 0.7758 0 12 81 8 Cosine 0.7758 1.908 1 0.7388 0 12 104 8 Cosine 0.7388 208.108 208 0.9389 0 189 191 6 Cosine 0.9389 105.032 105 0.7536 0 189 194 6 Cosine 0.7536 -201.076 -201 0.9064 0 266 269 6 Cosine 0.9064 -5.957 -5 0.8675 0 266 264 6 Cosine 0.8675 -1.159 -1 0.7853 0 39 31 2 Cosine 0.7853 -0.0 0 0.7988 0 201 208 12 Cosine 0.7988 0.0 0 0.9268 0 236 229 6 Cosine 0.9268 27.995 27 0.8536 0 236 173 6 Cosine 0.8536 35.023 35 0.904 0 236 286 6 Cosine 0.904 38.023 38 0.9085 0 236 287 6 Cosine 0.9085 -268.116 -268 0.9097 0 236 343 6 Cosine 0.9097 -15.995 -15 0.8263 0 14 17 17 Cosine 0.8263 -60.021 -60 0.779 0 14 18 17 Cosine 0.779 38.125 38 0.748 0 14 184 17 Cosine 0.748 -5.902 -5 0.7667 0 14 202 17 Cosine 0.7667 -134.058 -134 0.7445 0 233 362 6 Cosine 0.7445 -134.058 -134 0.8416 0 233 383 6 Cosine 0.8416 6.026 6 0.7478 0 233 194 6 Cosine 0.7478 27.995 27 0.8688 0 233 323 6 Cosine 0.8688 25.02 25 0.7339 0 233 232 6 Cosine 0.7339 -70.005 -70 0.7346 0 190 325 6 Cosine 0.7346 -0.0 0 0.9049 0 190 71 6 Cosine 0.9049 30.01 30 0.7309 0 190 154 6 Cosine 0.7309 -30.01 -30 0.7753 0 190 222 6 Cosine 0.7753 28.031 28 0.8316 0 172 170 24 Cosine 0.8316 26.015 26 0.8302 0 172 171 24 Cosine 0.8302 28.031 28 0.8686 0 10 16 37 Cosine 0.8686 -28.032 -28 0.8426 0 10 3 37 Cosine 0.8426 26.017 26 0.8397 0 10 15 37 Cosine 0.8397 238.229 238 0.7769 0 42 97 3 Cosine 0.7769 238.229 238 0.7749 0 42 88 3 Cosine 0.7749 28.031 28 0.8948 0 42 50 3 Cosine 0.8948 0.984 0 0.7461 0 49 26 33 Cosine 0.7461 2.099 2 0.7074 0 49 65 33 Cosine 0.7074 -188.081 -188 0.8558 0 311 313 6 Cosine 0.8558 -44.026 -44 0.8074 0 18 17 17 Cosine 0.8074 2.016 2 0.8505 0 170 171 24 Cosine 0.8505 13.041 13 0.7893 0 199 52 8 Cosine 0.7893 28.032 28 0.7243 0 75 73 13 Cosine 0.7243 28.031 28 0.8123 0 75 76 13 Cosine 0.8123 80.027 80 0.751 0 193 357 6 Cosine 0.751 80.027 80 0.9072 0 193 341 6 Cosine 0.9072 80.027 80 0.8427 0 193 228 6 Cosine 0.8427 44.049 44 0.8647 0 193 298 6 Cosine 0.8647 14.015 14 0.7452 0 60 77 14 Cosine 0.7452 38.023 38 0.9002 0 287 229 6 Cosine 0.9002 66.019 66 0.8148 0 287 173 6 Cosine 0.8148 3.0 3 0.9545 0 287 286 6 Cosine 0.9545 -306.14 -306 0.8635 0 287 343 6 Cosine 0.8635 54.047 54 0.7411 0 111 97 3 Cosine 0.7411 54.047 54 0.731 0 111 88 3 Cosine 0.731 2.975 2 0.7675 0 232 231 6 Cosine 0.7675 -96.03 -96 0.7378 0 256 301 6 Cosine 0.7378 0.0 0 0.854 0 341 357 6 Cosine 0.854 -160.037 -160 0.7834 0 341 222 6 Cosine 0.7834 -0.0 0 0.9192 0 341 228 6 Cosine 0.9192 35.977 35 0.8799 0 341 298 6 Cosine 0.8799 42.011 42 0.7067 0 72 149 11 Cosine 0.7067 42.011 42 0.7377 0 72 160 11 Cosine 0.7377 458.164 458 0.8751 0 384 381 6 Cosine 0.8751 134.058 134 0.8176 0 384 322 6 Cosine 0.8176 -0.0 0 0.8739 0 384 361 6 Cosine 0.8739 -10.029 -10 0.9008 0 384 369 6 Cosine 0.9008 0.0 0 0.9543 0 384 371 6 Cosine 0.9543 -186.067 -186 0.8198 0 336 340 6 Cosine 0.8198 28.031 28 0.9561 0 2 5 7 Cosine 0.9561 112.126 112 0.8585 0 2 46 7 Cosine 0.8585 -1.997 -1 0.8052 0 294 295 18 Cosine 0.8052 10.01 10 0.7759 0 390 179 22 Cosine 0.7759 0.0 0 0.8184 0 390 405 22 Cosine 0.8184 0.0 0 0.8319 0 390 399 22 Cosine 0.8319 0.0 0 0.7524 0 390 395 22 Cosine 0.7524 -0.0 0 0.7879 0 383 362 6 Cosine 0.7879 -134.058 -134 0.8476 0 383 209 6 Cosine 0.8476 -162.053 -162 0.8103 0 383 307 6 Cosine 0.8103 -162.053 -162 0.8383 0 383 323 6 Cosine 0.8383 70.042 70 0.7691 0 383 376 6 Cosine 0.7691 -2.015 -2 0.7636 0 81 86 8 Cosine 0.7636 -0.0 0 0.9144 0 81 104 8 Cosine 0.9144 0.0 0 0.7445 0 303 357 6 Cosine 0.7445 -162.053 -162 0.7342 0 307 362 6 Cosine 0.7342 -0.0 0 0.8231 0 307 323 6 Cosine 0.8231 3.0 3 0.8603 0 376 374 6 Cosine 0.8603 0.001 0 0.8024 0 168 180 29 Cosine 0.8024 -149.06 -149 0.9146 0 141 145 16 Cosine 0.9146 -59.05 -59 0.9198 0 141 142 16 Cosine 0.9198 134.058 134 0.8469 0 308 361 6 Cosine 0.8469 0.0 0 0.9508 0 308 322 6 Cosine 0.9508 237.074 237 0.8091 0 308 318 6 Cosine 0.8091 18.01 18 0.7581 0 308 388 6 Cosine 0.7581 21.936 21 0.7755 0 191 301 6 Cosine 0.7755 -0.001 0 0.9477 0 3 16 37 Cosine 0.9477 -2.015 -2 0.862 0 3 15 37 Cosine 0.862 84.094 84 0.8814 0 5 46 7 Cosine 0.8814 140.157 140 0.7341 0 5 178 7 Cosine 0.7341 -70.005 -70 0.7639 0 71 325 6 Cosine 0.7639 -30.011 -30 0.746 0 71 154 6 Cosine 0.746 -30.011 -30 0.7636 0 71 222 6 Cosine 0.7636 -30.011 -30 0.8072 0 273 298 6 Cosine 0.8072 341.117 341 0.8137 0 335 329 6 Cosine 0.8137 44.026 44 0.9398 0 335 337 6 Cosine 0.9398 64.992 64 0.7762 0 335 346 6 Cosine 0.7762 64.006 64 0.8008 0 335 348 6 Cosine 0.8008 -268.116 -268 0.8811 0 343 229 6 Cosine 0.8811 -196.047 -196 0.8561 0 343 302 6 Cosine 0.8561 -303.139 -303 0.849 0 343 286 6 Cosine 0.849 -237.074 -237 0.8447 0 343 318 6 Cosine 0.8447 -210.063 -210 0.8628 0 343 313 6 Cosine 0.8628 -3.019 -3 0.8432 0 102 99 3 Cosine 0.8432 -0.0 0 0.8704 0 109 83 9 Cosine 0.8704 28.031 28 0.8506 0 99 97 3 Cosine 0.8506 28.031 28 0.7677 0 99 88 3 Cosine 0.7677 238.23 238 0.9085 0 99 50 3 Cosine 0.9085 210.198 210 0.723 0 99 51 3 Cosine 0.723 2.017 2 0.7349 0 85 86 8 Cosine 0.7349 -39.995 -39 0.7271 0 222 325 6 Cosine 0.7271 -0.0 0 0.7751 0 222 154 6 Cosine 0.7751 -160.037 -160 0.7614 0 222 357 6 Cosine 0.7614 -160.037 -160 0.7438 0 222 228 6 Cosine 0.7438 -174.065 -174 0.7464 0 302 301 6 Cosine 0.7464 -27.011 -27 0.7521 0 302 265 6 Cosine 0.7521 14.015 14 0.8919 0 302 313 6 Cosine 0.8919 41.026 41 0.8921 0 302 318 6 Cosine 0.8921 20.061 20 0.7244 0 302 337 6 Cosine 0.7244 56.073 56 0.7629 0 302 339 6 Cosine 0.7629 27.995 27 0.8713 0 206 149 11 Cosine 0.8713 27.995 27 0.8586 0 206 160 11 Cosine 0.8586 -15.994 -15 0.7271 0 206 251 11 Cosine 0.7271 -180.064 -180 0.7767 0 206 207 11 Cosine 0.7767 -0.001 0 0.8151 0 103 117 23 Cosine 0.8151 0.251 0 0.7602 0 276 288 31 Cosine 0.7602 -116.048 -116 0.859 0 388 361 6 Cosine 0.859 -0.0 0 0.7947 0 388 394 6 Cosine 0.7947 -152.068 -152 0.7362 0 207 149 11 Cosine 0.7362 -152.068 -152 0.7912 0 207 160 11 Cosine 0.7912 210.053 210 0.9476 0 207 203 11 Cosine 0.9476 248.009 248 0.8936 0 207 205 11 Cosine 0.8936 3.083 3 0.739 0 26 65 33 Cosine 0.739 93.065 93 0.8061 0 38 36 1 Cosine 0.8061 300.058 300 0.8112 0 313 398 6 Cosine 0.8112 -7.039 -7 0.7896 0 313 269 6 Cosine 0.7896 42.058 42 0.7979 0 313 339 6 Cosine 0.7979 27.011 27 0.8309 0 313 318 6 Cosine 0.8309 -12.996 -12 0.8155 0 313 265 6 Cosine 0.8155 -1.99 -1 0.8258 0 89 96 8 Cosine 0.8258 -0.997 0 0.9061 0 89 94 8 Cosine 0.9061 58.005 58 0.7124 0 89 104 8 Cosine 0.7124 83.962 83 0.7461 0 225 229 6 Cosine 0.7461 -55.966 -55 0.7509 0 225 173 6 Cosine 0.7509 -468.193 -468 0.7535 0 379 381 6 Cosine 0.7535 10.029 10 0.7716 0 379 371 6 Cosine 0.7716 0.0 0 0.789 0 379 369 6 Cosine 0.789 -126.077 -126 0.7546 0 379 394 6 Cosine 0.7546 134.058 134 0.8788 0 361 322 6 Cosine 0.8788 10.029 10 0.869 0 361 369 6 Cosine 0.869 -0.0 0 0.8497 0 361 371 6 Cosine 0.8497 82.064 82 0.9271 0 144 145 16 Cosine 0.9271 -34.042 -34 0.7052 0 52 29 8 Cosine 0.7052 -4.97 -4 0.7277 0 52 64 8 Cosine 0.7277 16.031 16 0.8222 0 52 7 8 Cosine 0.8222 27.995 27 0.7722 0 297 369 6 Cosine 0.7722 -134.058 -134 0.7718 0 209 362 6 Cosine 0.7718 27.995 27 0.8354 0 209 356 6 Cosine 0.8354 56.062 56 0.7841 0 46 178 7 Cosine 0.7841 28.03 28 0.8163 0 339 230 6 Cosine 0.8163 36.013 36 0.8544 0 339 337 6 Cosine 0.8544 -15.047 -15 0.7826 0 339 346 6 Cosine 0.7826 -16.033 -16 0.818 0 339 348 6 Cosine 0.818 2.015 2 0.7784 0 86 104 8 Cosine 0.7784 14.016 14 0.7186 0 47 50 3 Cosine 0.7186 -195.12 -195 0.9235 0 267 269 6 Cosine 0.9235 -306.139 -306 0.8306 0 298 322 6 Cosine 0.8306 35.978 35 0.836 0 298 357 6 Cosine 0.836 -35.977 -35 0.804 0 298 228 6 Cosine 0.804 -262.113 -262 0.7754 0 345 337 6 Cosine 0.7754 -286.126 -286 0.7297 0 345 173 6 Cosine 0.7297 0.0 0 0.7871 0 228 357 6 Cosine 0.7871 0.0 0 0.7549 0 399 405 22 Cosine 0.7549 0.0 0 0.7044 0 399 395 22 Cosine 0.7044 62.019 62 0.8828 0 323 269 6 Cosine 0.8828 -315.098 -315 0.79 0 323 340 6 Cosine 0.79 0.0 0 0.7599 0 149 160 11 Cosine 0.7599 152.156 152 0.8093 0 215 67 21 Cosine 0.8093 -237.074 -237 0.8466 0 318 322 6 Cosine 0.8466 14.015 14 0.8182 0 318 265 6 Cosine 0.8182 -39.011 -39 0.741 0 64 29 8 Cosine 0.741 0.036 0 0.9614 0 87 93 8 Cosine 0.9614 2.015 2 0.8746 0 15 16 37 Cosine 0.8746 -1.005 -1 0.7329 0 69 68 10 Cosine 0.7329 14.015 14 0.7008 0 69 253 10 Cosine 0.7008 327.121 327 0.8745 0 203 204 11 Cosine 0.8745 -37.956 -37 0.917 0 203 205 11 Cosine 0.917 88.052 88 0.7055 0 97 66 3 Cosine 0.7055 -0.0 0 0.8881 0 97 88 3 Cosine 0.8881 -90.01 -90 0.9366 0 145 142 16 Cosine 0.9366 20.966 20 0.7567 0 346 337 6 Cosine 0.7567 -0.986 0 0.757 0 346 348 6 Cosine 0.757 -72.058 -72 0.7745 0 112 79 33 Cosine 0.7745 86.073 86 0.8072 0 112 131 33 Cosine 0.8072 -0.96 0 0.8649 0 230 231 6 Cosine 0.8649 27.995 27 0.9311 0 229 173 6 Cosine 0.9311 35.023 35 0.8809 0 229 286 6 Cosine 0.8809 63.018 63 0.7962 0 173 286 6 Cosine 0.7962 134.058 134 0.7745 0 322 371 6 Cosine 0.7745 -44.026 -44 0.7662 0 184 202 17 Cosine 0.7662 14.015 14 0.9044 0 131 79 33 Cosine 0.9044 -44.026 -44 0.803 0 19 77 14 Cosine 0.803 -0.993 0 0.8772 0 96 94 8 Cosine 0.8772 -468.193 -468 0.8116 0 381 369 6 Cosine 0.8116 -458.164 -458 0.8624 0 381 371 6 Cosine 0.8624 342.116 342 0.7357 0 381 394 6 Cosine 0.7357 28.031 28 0.8937 0 51 50 3 Cosine 0.8937 -10.029 -10 0.8931 0 369 371 6 Cosine 0.8931 -126.077 -126 0.785 0 369 394 6 Cosine 0.785 nf_output/networking/clustersummary_with_groups.tsv0000644000000000000000000006561614767266363022317 0ustar rootrootcluster index parent mass RTMean ATTRIBUTE_group:GNPSGROUP:nan ATTRIBUTE_group:GNPSGROUP:A ATTRIBUTE_group:GNPSGROUP:B ATTRIBUTE_group:GNPSGROUP:C ATTRIBUTE_group:GNPSGROUP:D 1 93.03385290447436 1.3726889 0.0 0.0 33088.68625 14352.8575 2 342.2282842200452 1.3893917 16143.706 25203.8085 0.0 0.0 3 774.5279624210174 1.4256333 0.0 0.0 0.0 14659.5635 4 414.1218492977562 1.4882333 0.0 28808.86125 0.0 0.0 5 314.1968815601056 1.4933132 156051.206 190025.735 0.0 0.0 6 201.0761274655518 1.533225 0.0 0.0 0.0 36528.68425 7 217.10738466723123 1.5635065 0.0 0.0 23660.3975 180693.41825 8 93.04496836540216 1.59925 0.0 0.0 0.0 14573.1275 9 272.1496694202024 1.62595 0.0 0.0 0.0 16860.7725 10 802.5603771415259 1.6640555 0.0 0.0 27151.983 24017.8825 11 178.05023404461056 1.6760334 0.0 0.0 0.0 13228.6225 12 188.94898253557048 1.7026334 13862.9625 0.0 0.0 0.0 13 204.12365316668223 1.7026334 29095.3725 0.0 0.0 0.0 14 293.17860481195504 1.708019 95574.044 76605.26775 80068.20925 67484.47899999999 15 776.5433957777306 1.751811 0.0 0.0 26481.50625 22067.9785 16 774.5288730138618 1.76045 0.0 0.0 62833.00675 51868.4225 17 309.1736714811531 1.7619792 85640.4025 99774.87925 62593.105 59974.13924999999 18 353.1994786176988 1.798662 41369.0035 55224.167499999996 24394.625 20534.9 19 202.1078766798916 1.80035 0.0 0.0 0.0 39551.945 20 397.22625990072027 1.8235583 14620.248 0.0 13407.6125 0.0 21 171.06571659654227 1.827863 91704.07625 55807.233 72586.26775 101730.35999999999 22 127.07591121213706 1.8292907 47407.30575 19300.07 47087.78325 65410.1655 23 258.1340381334496 1.8461833 0.0 0.0 0.0 15588.2315 24 316.2126434271194 1.8711833 0.0 16452.23625 0.0 0.0 25 89.0235512311677 1.8853583 0.0 0.0 0.0 29869.631500000003 26 244.11833914250303 1.8909167 0.0 0.0 0.0 18811.215 27 194.08163019411083 1.92555 0.0 0.0 0.0 24253.925 28 111.0194360568886 1.9417667 0.0 0.0 31507.36 16415.44 29 167.03440596891804 1.9441166 72856.5625 0.0 111931.22 150824.92250000002 30 216.1234363986188 1.9783 0.0 0.0 0.0 20147.53 31 216.94379145047068 2.0031228 42023.38425 59114.18 28301.256 16393.4335 32 360.23881181531686 2.00415 0.0 22147.6175 0.0 0.0 33 99.00803117810024 2.0057502 31994.0275 0.0 0.0 0.0 34 117.01877083220012 2.0078368 503873.83499999996 368251.995 383016.26 477567.67999999993 35 73.0285860830186 2.0082808 109373.14349999999 67873.53375 69823.3375 106534.4285 36 530.2785104120919 2.0152998 21131.74 0.0 0.0 16909.20125 37 318.02785704601115 2.0189166 15729.0075 0.0 0.0 0.0 38 437.21358469950616 2.0189166 19999.7975 0.0 0.0 0.0 39 218.1031052887504 2.024331 638019.7475 114344.497 143738.94 166137.4375 40 88.03967650136562 2.0265 33301.3545 0.0 0.0 0.0 41 742.5387858229274 2.043875 208206.9775 177930.63749999998 275445.57499999995 211560.67250000002 42 716.522749977004 2.0675 665784.8 468329.40750000003 656473.4850000001 482132.4275 43 89.02355611082942 2.0678582 0.0 0.0 0.0 36227.869999999995 44 195.06571730541225 2.0697334 0.0 0.0 0.0 15059.5205 45 360.2388161045092 2.0765834 0.0 50894.105 0.0 0.0 46 230.10263502127668 2.0879667 0.0 0.0 0.0 15833.6035 47 702.5076365968943 2.0886 0.0 13106.54875 0.0 0.0 48 246.99120909765568 2.0927222 0.0 0.0 49074.27250000001 21696.7925 49 243.13437202348544 2.0970666 0.0 0.0 0.0 28843.5 50 688.4919999607429 2.1007051 1111073.35 993683.3250000001 1114146.435 1031145.875 51 660.4605446622179 2.128822 129526.70500000002 140590.9925 155913.62 215653.71499999997 52 201.07597957430923 2.177861 0.0 0.0 0.0 199808.4425 53 222.0763033454145 2.181225 0.0 0.0 0.0 86270.38 54 153.01862959637714 2.22745 0.0 0.0 0.0 19316.91 55 403.1241872745805 2.2475874 20419.65625 16481.185 57882.835 0.0 56 151.0395460357251 2.2482166 18290.415 0.0 24259.8775 0.0 57 349.06927581920576 2.2494724 16516.0 14422.59 24519.86125 0.0 58 359.09750936117143 2.2495408 248871.9425 189852.075 221344.31375 73321.195 59 89.02367397714102 2.2499542 26174.616 0.0 38146.02875 0.0 60 260.1495206114146 2.2600918 0.0 0.0 0.0 37595.02875 61 208.06051489951616 2.2895334 0.0 0.0 0.0 18983.8625 62 229.1184198004067 2.297429 0.0 0.0 0.0 195740.375 63 285.0608566468509 2.3280666 0.0 0.0 0.0 37217.1225 64 206.04552680170684 2.3593166 0.0 13041.248 0.0 0.0 65 241.0350635576058 2.3800666 0.0 0.0 0.0 16598.1725 66 566.3457974096141 2.42135 0.0 0.0 17788.2075 0.0 67 362.2442056064621 2.4242666 0.0 36451.405 0.0 0.0 68 160.03983663046114 2.44055 0.0 0.0 0.0 16711.3925 69 161.0449419243981 2.48759 13653.1475 0.0 16058.925 75759.98 70 336.22903204045184 2.5179167 0.0 31750.88 0.0 0.0 71 151.0606203206697 2.5271666 0.0 0.0 0.0 28875.6175 72 459.1136845440237 2.5279167 0.0 0.0 0.0 75533.531 73 687.5440678824715 2.5327036 84257.46725 75595.8525 154983.2975 69698.95999999999 74 165.0188311080946 2.5618834 0.0 0.0 0.0 14153.915 75 659.5124284446764 2.5621688 150820.0575 107508.4365 219476.09000000003 135859.95 76 631.4810305663648 2.60535 0.0 0.0 0.0 14702.8775 77 246.134080266216 2.6086943 0.0 0.0 0.0 115957.194 78 229.0710375000464 2.619675 0.0 0.0 0.0 40109.124500000005 79 215.1030108191725 2.6454399 0.0 0.0 15897.38 164044.575 80 365.1633183905246 2.64855 0.0 19363.5625 0.0 0.0 81 187.0411037236024 2.6628668 0.0 0.0 13355.8325 55211.87 82 115.02029022867096 2.6806 0.0 0.0 0.0 12536.129 83 463.10876429689966 2.6806 0.0 0.0 0.0 14541.77625 84 194.04522665628 2.7020664 25684.14 0.0 24187.245 22464.246 85 191.07267377279115 2.7035 33074.775 0.0 0.0 0.0 86 189.05612915029147 2.703886 30933.3275 0.0 59529.64825 45854.6175 87 205.049599795934 2.7047243 21053.9425 49986.975000000006 72171.9975 17342.1975 88 478.29335782667874 2.7097 0.0 0.0 18422.24 24220.165 89 245.04647653186083 2.7155416 0.0 0.0 0.0 38784.7275 90 217.0328329782935 2.7182 0.0 0.0 0.0 17117.33 91 261.04062605310975 2.7182 0.0 0.0 0.0 13936.51375 92 173.02576793846893 2.7202168 0.0 0.0 0.0 37498.3445 93 205.0139200348532 2.7220578 28052.649250000002 59750.750499999995 62220.985 69121.89050000001 94 246.0437565312131 2.7296085 0.0 0.0 0.0 28590.0245 95 203.0331934649314 2.7343335 0.0 0.0 0.0 81837.4125 96 247.03641790824423 2.7391334 0.0 0.0 12838.11425 0.0 97 478.29358068357527 2.7805529 98666.97750000001 32253.269999999997 113610.2925 66441.62 98 450.26276122576456 2.7924333 0.0 0.0 25857.88875 0.0 99 450.2623329483288 2.8485205 15639.65625 37469.1175 83645.7225 42972.6525 100 905.5637132131336 2.8517332 0.0 0.0 12941.8085 12854.63375 101 452.2774502174688 2.8579333 218755.21749999997 53542.61525 351959.645 203257.9365 102 453.2809182724429 2.8586445 15099.7175 0.0 15793.6725 19335.371 103 305.0683101668419 2.86956 15235.3775 0.0 0.0 101585.19475 104 187.04126450765307 2.8698082 0.0 0.0 0.0 60959.825 105 417.1031486293373 2.8980167 0.0 0.0 0.0 15888.0375 106 553.1767620418868 2.8980167 0.0 0.0 0.0 19341.0725 107 509.1503466515295 2.902425 0.0 0.0 0.0 35029.557 108 513.2188948283712 2.9071333 0.0 0.0 0.0 15190.885 109 463.1090300636153 2.911446 0.0 0.0 0.0 91004.45425000001 110 379.1606913172725 2.9115334 0.0 0.0 0.0 34308.7375 111 424.24667016223407 2.9308333 0.0 0.0 0.0 13356.00875 112 287.16088355963427 2.942675 0.0 0.0 0.0 47357.136249999996 113 151.02565353793702 2.960931 227620.83399999997 291050.005 133450.9875 79403.759 114 89.023644609207 2.96735 0.0 0.0 0.0 25410.689 115 135.03064799851376 2.9680166 13882.9675 17044.96875 0.0 0.0 116 299.0763710941055 2.999043 63277.89275 17730.83 46459.325 18522.9425 117 305.0693976881394 3.0389333 0.0 0.0 0.0 13011.1095 118 279.03816479439735 3.069239 44709.6745 0.0 0.0 0.0 119 495.11752787468345 3.0693083 50174.4585 22598.71875 60491.416 30981.8375 120 200.0559653389267 3.069594 87943.015 48157.72875 38634.490000000005 70374.1325 121 243.0615161475912 3.0696342 469510.25 333044.3375 286308.395 373930.53500000003 122 254.0665093188214 3.081675 0.0 0.0 0.0 39216.24875 123 441.161109644883 3.1197777 0.0 0.0 0.0 67094.6465 124 386.14498918221614 3.1430666 20868.5275 0.0 0.0 0.0 125 423.0946742362405 3.1635807 43826.6825 68109.20999999999 14758.9765 106506.04250000001 126 805.487208410837 3.1671333 0.0 0.0 0.0 23290.0075 127 808.5054019042612 3.1671333 0.0 0.0 0.0 13357.44 128 431.1189294135333 3.212346 0.0 0.0 0.0 1246218.55 129 494.1149903010408 3.2123778 0.0 0.0 0.0 48150.927500000005 130 863.2466333941438 3.212346 0.0 0.0 0.0 628564.23 131 201.08767626698824 3.2730463 174582.5325 108408.36499999999 98632.61400000002 53644.915 132 181.07116378738937 3.2767832 0.0 0.0 14104.25875 0.0 133 379.16044685174256 3.2937167 0.0 0.0 0.0 55146.535 134 425.1659360092301 3.2939835 0.0 0.0 0.0 125406.0625 135 415.13719069716257 3.2972667 0.0 0.0 0.0 14117.454 136 442.155774968465 3.2983918 0.0 0.0 0.0 26834.296 137 508.2029935900176 3.3033278 0.0 0.0 0.0 131682.0025 138 233.0118147563065 3.30885 0.0 0.0 0.0 22894.9475 139 128.0347547953409 3.3096147 295496.235 297918.62875000003 252979.78749999998 221634.57749999998 140 227.95989955231545 3.3166084 16440.67375 17197.6575 0.0 0.0 141 279.0592001778712 3.3235333 13854.334 14102.4925 0.0 0.0 142 338.10879131481295 3.3376334 0.0 0.0 13155.89 0.0 143 427.12655414683854 3.3376334 0.0 0.0 15359.23825 0.0 144 510.1829772658847 3.34115 0.0 0.0 0.0 17482.1 145 428.11891319497687 3.3887832 0.0 34097.0625 0.0 0.0 146 283.0844953165966 3.3931668 0.0 0.0 0.0 18848.0825 147 299.076537947216 3.3932598 17592.0275 72515.80025 0.0 0.0 148 188.0558698558908 3.4127185 102393.50099999999 33367.5625 0.0 43520.29675 149 417.1031192578657 3.4173584 0.0 0.0 0.0 171931.7225 150 157.0137208641791 3.4216666 35297.6725 0.0 0.0 0.0 151 175.02426445945224 3.4216666 26642.315 0.0 0.0 0.0 152 128.03483206810057 3.4975834 0.0 19357.345 0.0 0.0 153 389.107928268466 3.4981833 0.0 0.0 0.0 12680.711 154 181.0711946932322 3.499129 0.0 0.0 0.0 82172.66100000001 155 167.07076991550073 3.5078166 0.0 0.0 0.0 12779.1455 156 229.07116449741457 3.5078166 0.0 0.0 0.0 18019.9825 157 224.05584246171915 3.5101979 166272.2075 111415.755 265687.865 201258.15000000002 158 194.04517579040763 3.5137749 0.0 0.0 19851.0425 18164.94 159 323.980758793017 3.5185165 0.0 0.0 22008.26375 13727.296 160 417.1031244283464 3.5503209 0.0 0.0 0.0 100002.98300000001 161 243.0504114435401 3.63265 0.0 0.0 0.0 48109.59 162 265.08267086505225 3.6427999 0.0 0.0 42217.6675 39887.235 163 199.06057341944896 3.688 0.0 0.0 0.0 14480.9365 164 356.134749942328 3.703332 321938.0675 128107.55124999999 112396.77500000001 137348.6875 165 419.1298477158531 3.7040455 206745.51 93970.79000000001 97019.9675 80617.23725 166 194.08204788413832 3.7056668 16293.1455 0.0 0.0 0.0 167 535.153498026724 3.7377152 111397.44825 81042.4775 38004.2475 87531.1275 168 267.0728731788562 3.7380428 522056.105 415284.2675 382438.87 681383.625 169 460.0941949935822 3.7703612 84703.056 80846.66075 96214.98025 0.0 170 597.3036309634889 3.795014 66860.95375 33804.39 138211.4785 105111.415 171 595.2880331927124 3.8294923 42643.558 16674.34 100379.32274999999 25331.371 172 569.272570164922 3.881628 54531.866749999994 13736.835 0.0 14643.2575 173 443.1039304657232 3.904469 52618.115 38362.2335 64761.41900000001 0.0 174 460.0941466113717 3.9059274 195207.26 178329.91749999998 238257.2475 71299.10875 175 609.1454009958121 3.9169166 0.0 0.0 0.0 15604.004 176 380.1555981491749 3.9310918 0.0 0.0 0.0 52818.041 177 460.0942179014989 3.9996758 43486.9545 35551.391 64817.189 0.0 178 174.04027048930095 4.0048795 142811.7225 19509.31 132581.2175 179125.02750000003 179 164.0712777998749 4.019053 102771.8185 53655.087499999994 82941.04999999999 176234.1375 180 267.07236610771326 4.021375 0.0 0.0 0.0 45649.957500000004 181 243.06154493732188 4.062987 33624.54775 36402.2675 13338.002 0.0 182 130.08675740473896 4.075868 31568.949 31962.451 53841.345 82094.4455 183 438.1249847087367 4.075875 0.0 0.0 0.0 80105.8865 184 255.0538490124228 4.1011667 0.0 0.0 0.0 18679.11 185 610.1254175638578 4.1743746 0.0 0.0 0.0 38327.78125 186 130.08674229975747 4.2527947 0.0 0.0 13323.99325 42514.4135 187 438.12520688369233 4.313937 0.0 0.0 0.0 279985.815 188 157.03625348981768 4.3502917 13784.9125 0.0 19257.515 115145.6075 189 543.1574238804784 4.3728666 0.0 0.0 0.0 28779.7475 190 151.0607771303458 4.3767834 0.0 0.0 0.0 42502.3625 191 335.04897978800653 4.3777795 80808.1375 89080.9025 110991.29750000002 156600.459 192 167.0207355171104 4.3789964 809144.85 743235.285 824143.8 1048375.29 193 421.1347911525265 4.3812447 0.0 0.0 0.0 82018.08 194 438.124941265219 4.395296 0.0 0.0 0.0 162569.3525 195 203.082047588306 4.41425 0.0 29520.63975 14238.751 43732.716 196 282.0836542603278 4.5568447 62077.277500000004 0.0 67293.902 80312.89749999999 197 628.1710371025724 4.55798 19042.055 0.0 34110.2185 35773.40875 198 144.04477615488602 4.564833 0.0 0.0 0.0 20554.746 199 188.034766919081 4.564833 0.0 0.0 0.0 16626.2825 200 524.1255615283701 4.6126666 0.0 0.0 15280.538 0.0 201 367.104630367268 4.635317 0.0 0.0 0.0 15561.895 202 299.0802359566191 4.64185 0.0 0.0 0.0 33989.4525 203 779.2247774857598 4.667946 0.0 0.0 0.0 583259.9575 204 452.10414488542216 4.6702 0.0 0.0 0.0 192719.31 205 817.1808010064028 4.6849084 0.0 0.0 0.0 31846.840750000003 206 389.1080301124976 4.6864667 0.0 0.0 0.0 1256037.125 207 569.1715496717898 4.696128 0.0 0.0 0.0 87699.1445 208 367.1047812773522 4.6997166 0.0 0.0 0.0 16340.84875 209 432.0990540283325 4.797717 158257.805 493060.1875 409367.08999999997 159962.23075 210 116.07132090455258 4.821183 0.0 0.0 0.0 16192.91 211 217.08229331545024 4.82535 0.0 0.0 0.0 17194.62 212 129.01873958262698 4.8818 13955.3565 0.0 0.0 0.0 213 194.9962343263711 4.8943667 17845.041 14984.005 0.0 0.0 214 114.05555697742427 4.9093885 116087.16875000001 43974.321500000005 85551.5875 116719.4625 215 210.08781467637203 4.9962997 0.0 0.0 32531.27925 0.0 216 468.1103896237901 5.018025 51358.41 0.0 18495.455 18906.345 217 432.0989539075161 5.0298166 0.0 26644.041 0.0 0.0 218 181.0713761240362 5.0403976 157476.0725 208283.5175 445378.93750000006 291426.6 219 128.95890600082953 5.1037683 16487.015 12763.2675 28082.075 107931.355 220 296.8814541278168 5.105021 0.0 0.0 0.0 88897.61125 221 380.84315282991287 5.1079917 0.0 0.0 0.0 35539.718250000005 222 181.071272950755 5.1460285 55730.905 89018.4325 49122.9835 610461.715 223 101.02381629960816 5.1541 0.0 0.0 0.0 27699.495000000003 224 163.06056434534895 5.1541 0.0 0.0 0.0 38223.35125000001 225 499.0703057881917 5.163438 77269.63249999999 78476.38500000001 110176.14000000001 34316.6275 226 443.1038964799561 5.165685 110073.6825 48931.53525 117200.42599999999 0.0 227 369.1029343285206 5.1687927 172336.3075 111133.0415 184959.4475 31921.58125 228 341.1079301552493 5.1698203 448145.875 291080.1225 484850.82499999995 134326.616 229 415.1087980866248 5.1698203 2355847.625 1465000.0499999998 2532130.5 719515.6224999999 230 459.13419593571984 5.17145 13302.8935 0.0 32450.8825 0.0 231 460.09400170064487 5.1739388 15402.59 16423.375 15772.36625 0.0 232 457.1193800823472 5.174943 98389.24 25113.3825 63279.5425 0.0 233 432.0990695220266 5.181081 677719.7 641958.3574999999 623766.6799999999 44436.01875 234 166.01720005515804 5.214 0.0 0.0 0.0 38637.8825 235 432.0989800342522 5.3009253 171991.0575 102342.61249999999 174155.47 31841.179500000002 236 415.1086843110904 5.315473 49681.408500000005 13413.6095 74264.74625 0.0 237 405.0798284861695 5.3195 0.0 0.0 13015.36125 0.0 238 451.0281055733943 5.331683 0.0 0.0 14885.91125 0.0 239 382.0996065037789 5.385739 30682.3525 66049.54 0.0 114485.93049999999 240 432.09896431613015 5.3880396 209114.1725 165888.0825 308830.07 112946.45874999999 241 415.1085318941266 5.389007 75862.025 36558.775 117313.39749999999 27404.98375 242 145.01354159582584 5.389917 12611.74 0.0 0.0 0.0 243 515.1248383471799 5.3930335 26476.872 0.0 0.0 0.0 244 405.0796264643786 5.393487 78010.26 37295.835999999996 102197.98000000001 0.0 245 424.03098378026766 5.456037 93018.5625 110259.04375 95193.76999999999 65887.65275000001 246 367.1047873594568 5.4570303 52197.193750000006 90087.7675 87922.03374999999 65106.21000000001 247 412.0307193028139 5.458311 32396.385000000002 14716.203 0.0 0.0 248 176.05600561949558 5.4596334 0.0 0.0 34057.015 0.0 249 101.02411049907369 5.461233 12633.745 0.0 0.0 0.0 250 187.1083709787572 5.461539 50504.367 90111.21875 91116.26624999999 119196.33575 251 405.1022514486804 5.463267 0.0 0.0 0.0 16114.6675 252 129.01861385255603 5.4634666 0.0 0.0 0.0 17459.405 253 147.0294478207034 5.464097 27563.6185 0.0 13045.9225 34464.00925 254 305.0172190765626 5.476954 195206.06250000003 82412.765 246703.1575 541433.3675 255 111.0194704191449 5.477995 84726.66900000001 16629.4325 105925.851 226213.83500000002 256 217.0824040021517 5.5011115 0.0 0.0 59946.0125 36665.4225 257 277.05565971217914 5.5685334 0.0 0.0 0.0 16001.7295 258 196.0720240373712 5.58455 0.0 0.0 21587.9075 0.0 259 551.1614849862333 5.6060915 0.0 0.0 0.0 38594.055 260 283.10253817634674 5.7462 0.0 0.0 0.0 13796.0075 261 156.02736476117448 5.758633 0.0 0.0 13678.16125 0.0 262 248.9600051669244 5.7871222 59463.274249999995 0.0 15052.72 12616.4075 263 118.05035977699346 5.8386555 21472.01375 19332.004 17668.1875 60302.224 264 259.0907503601495 5.8413315 222311.145 78882.0525 0.0 98715.20875 265 460.1664679318693 5.8587503 72300.924 19763.4175 0.0 86823.755 266 265.0472798894507 5.858887 93592.4675 31094.098250000003 0.0 61124.09825 267 271.00329828652764 5.8667593 15514.28 49430.9725 92933.8675 22473.17 268 124.00674032888124 5.8679786 143764.165 193826.1225 284606.025 237165.68000000002 269 466.1233082645099 5.868708 38748.8475 23921.495 32581.285 177650.98249999998 270 118.05014916974848 5.9411335 0.0 0.0 0.0 25251.629 271 351.066157153057 5.955333 0.0 30456.3225 0.0 0.0 272 164.03809929373168 5.9858584 283509.20499999996 185071.1 249044.7125 14102.8025 273 347.07438732956035 6.0060782 0.0 0.0 0.0 244166.72 274 223.04523296205983 6.0157833 0.0 0.0 0.0 21163.8375 275 147.02954730833488 6.016025 12571.5615 0.0 12874.7655 30473.73225 276 196.06061180570688 6.016033 0.0 0.0 0.0 118273.615 277 203.1031963567522 6.0169616 0.0 0.0 12950.2655 45737.9675 278 573.1586869662842 6.0181003 0.0 0.0 0.0 205404.79249999998 279 153.86829758795886 6.0183167 28783.375 0.0 0.0 0.0 280 160.8416075252179 6.020707 121710.78749999999 100337.04974999999 108009.02 94924.639 281 162.83880315898347 6.0247035 124146.54 103391.4325 112689.765 95021.77375000001 282 567.1328594557078 6.026056 75193.89 85082.2575 162438.015 46900.0715 283 164.83651664061142 6.028525 45355.10275 14292.4575 26855.715 0.0 284 341.1080752584267 6.030564 56952.9025 19877.205 95850.4975 69432.76550000001 285 369.1302497421924 6.031767 0.0 0.0 0.0 19533.8775 286 380.0857909089604 6.0329294 59887.87 25372.4225 124439.6325 112715.98275 287 377.0853877019091 6.0334697 1352245.5225 770494.855 1937566.5499999998 1748797.375 288 195.81007549199188 6.043524 238139.7425 172564.5725 149534.6875 135039.49 289 85.0288472850776 6.044833 0.0 0.0 0.0 55756.240000000005 290 351.08799735586126 6.0465736 83931.63124999999 0.0 0.0 20230.8125 291 349.0902138225881 6.0477557 217932.6125 0.0 0.0 65611.9075 292 197.8074497387195 6.054078 295015.705 281557.8325 184476.2275 168542.285 293 199.80439376830344 6.0627675 150723.98 73772.3475 95397.91625 116707.545 294 255.8216864715141 6.079925 0.0 13598.672 13552.775 0.0 295 257.81861162176403 6.079925 0.0 13957.953 13842.78 0.0 296 281.08741257016163 6.1120167 0.0 0.0 0.0 51781.7925 297 567.1324168546579 6.1245666 0.0 0.0 14771.1325 0.0 298 377.0854177368436 6.134367 228932.23375 209084.4575 249947.715 260118.7425 299 127.05073512031956 6.165503 109589.036 0.0 51690.846999999994 114096.685 300 145.06137850885108 6.168286 417558.9175 167524.09000000003 288005.605 468394.41500000004 301 313.1124922125512 6.1688643 104397.738 64707.373750000006 82153.49250000001 95832.78249999999 302 487.1775502317557 6.17469 542135.92 844201.9650000001 1054108.15 1197123.99 303 341.10795982306786 6.1759744 30695.8225 113902.68250000001 119642.1675 129322.931 304 85.02886994359115 6.17615 0.0 0.0 0.0 17972.76375 305 161.04505752833575 6.177401 19686.37 84790.70025 82746.27775000001 82843.215 306 179.05560208522587 6.178625 0.0 14073.46675 14273.712 0.0 307 404.1037571904742 6.1822033 87360.186 283026.3225 235234.265 164841.8725 308 683.2247494213096 6.185875 0.0 58549.471000000005 20496.185 0.0 309 533.1351576222935 6.1863747 0.0 0.0 0.0 39399.19625 310 337.076704021333 6.2700667 0.0 0.0 0.0 14457.0875 311 285.0815198256679 6.274747 43700.632750000004 0.0 0.0 39065.3825 312 131.04576483269466 6.279371 28107.40225 0.0 0.0 50199.8625 313 473.1622238214856 6.294035 55163.223249999995 42328.0415 0.0 156258.865 314 230.1140651678797 6.3078 0.0 0.0 0.0 21414.01 315 85.02880262464393 6.31735 0.0 0.0 0.0 14025.581 316 231.05892086463408 6.3180666 0.0 0.0 16030.90925 0.0 317 314.1243286941705 6.3269167 0.0 0.0 0.0 13478.0775 318 446.151054532339 6.3333964 127854.35500000001 143166.11500000002 229569.1125 174111.50499999998 319 369.1298211998426 6.3335333 0.0 0.0 0.0 17533.71 320 341.10795574462634 6.3776975 24169.825 116840.48750000002 114059.671 103982.191 321 161.04510410260008 6.3806043 20734.205 112569.6085 104838.581 92595.15000000001 322 683.2247429059362 6.3815837 30887.3575 235437.5325 164039.5125 151129.1125 323 404.1038655823881 6.382323 0.0 293387.9525 85544.11 279649.65 324 377.0853176704404 6.3833137 20771.51375 59151.018500000006 29016.495 59255.7725 325 221.06585296417336 6.3838334 0.0 0.0 19977.1915 0.0 326 179.05543279200992 6.383917 0.0 0.0 20647.1475 15796.246 327 102.05554943706493 6.4241996 18529.29875 17437.425 15302.169 33740.40375 328 128.0348326127384 6.425373 74250.644 26237.285 56074.8355 50750.735 329 852.2605059727284 6.42592 0.0 49450.331000000006 0.0 31771.560999999998 330 146.0453959072269 6.429987 639427.3300000001 507633.6 718575.91 578192.76 331 541.1171038177423 6.431733 0.0 0.0 37230.8575 0.0 332 223.04526313136947 6.4318833 0.0 0.0 0.0 20504.52 333 488.1618629347416 6.4328423 952016.925 737143.91 1064552.455 825981.5325 334 179.05555411847763 6.4345336 16977.035 18844.625 32096.18325 43304.87875 335 511.1430137507941 6.439658 0.0 0.0 0.0 56614.48625 336 533.1351540532298 6.439658 0.0 0.0 0.0 64918.89 337 467.1167526783238 6.439775 0.0 0.0 19440.209 12646.1175 338 377.0853413433481 6.4412994 246545.2125 221319.7125 273944.53250000003 237501.9625 339 431.1042339825117 6.4426746 0.0 0.0 0.0 25596.5185 340 719.2019545797923 6.442898 13809.38 13262.746 42854.11375 26771.4365 341 341.1080955681797 6.457898 2851404.175 1355745.3099999998 3223065.0 1866777.45 342 387.1136618915369 6.457898 9081696.75 4386096.675 9824835.625 5972544.0 343 683.2249539098053 6.4584427 121760.96625000001 69641.5335 131936.08299999998 83972.51250000001 344 390.1218790278056 6.4588284 51853.0125 0.0 74809.58875 0.0 345 729.2302300017724 6.4595413 229484.535 118583.25600000001 241901.405 144828.05375 346 446.15107530207285 6.461315 62649.12975 0.0 48647.84775 52434.068 347 473.16252597984845 6.473417 0.0 0.0 0.0 12726.4675 348 447.1374213141028 6.47365 0.0 0.0 0.0 13375.94325 349 404.1039498471663 6.4754333 826483.9224999999 874047.5525 833590.45 757459.8875 350 179.05550223928677 6.5288167 0.0 0.0 0.0 14525.167 351 377.0852297507381 6.6390166 0.0 0.0 0.0 33826.957500000004 352 214.04814591062063 6.6682 0.0 30053.34675 0.0 0.0 353 306.07624420267746 6.683367 0.0 0.0 15562.1465 0.0 354 165.03984875364597 6.7459664 0.0 0.0 0.0 16116.3995 355 179.05550389368108 6.7470417 0.0 0.0 0.0 36260.36525 356 404.1037504816566 6.7487497 0.0 0.0 0.0 212068.38 357 341.10784945223566 6.7492 0.0 0.0 0.0 35923.94 358 377.0850790905292 6.7492 0.0 0.0 0.0 33144.5035 359 566.1565289752311 6.7732 0.0 0.0 0.0 15390.3975 360 243.01754702128204 6.8341208 73467.066 0.0 0.0 0.0 361 549.1665078936674 6.8809843 0.0 74112.9715 99553.1465 98138.645 362 566.1567208219295 6.8828635 15846.5225 216476.2475 298524.85250000004 254061.67250000002 363 503.16101714867375 6.8843307 0.0 37004.1975 31508.858500000002 49103.69 364 669.2088742149062 6.8851833 0.0 0.0 0.0 14038.8145 365 337.077016568431 6.8977365 150389.0275 109388.032 32326.832500000004 92719.8175 366 566.156561804381 6.9667916 0.0 32228.87 27146.4375 0.0 367 267.0713044932404 7.0074997 0.0 0.0 0.0 98439.61 368 243.0175912669956 7.0202 15267.86325 0.0 0.0 0.0 369 539.1377776447937 7.053332 42093.057 28404.34175 55845.43075000001 13109.03125 370 1007.3307357121904 7.0553904 16513.0975 50903.8975 72968.2415 25428.015 371 549.1666558285273 7.055967 200268.8025 178963.31875000003 266136.36250000005 174250.9525 372 503.1611043196567 7.056547 116371.4525 124670.17749999999 160113.4725 111126.20049999999 373 566.1567883782691 7.056547 550033.205 556445.73 695003.025 420932.42750000005 374 639.1984132458687 7.0575333 0.0 0.0 0.0 12670.28125 375 376.10095579196246 7.0580783 59597.299999999996 32363.82 152499.57 138657.475 376 636.1987491589397 7.0582223 0.0 17903.07 0.0 39195.27375 377 669.2090822640757 7.059758 0.0 0.0 0.0 54912.432499999995 378 404.1037971182775 7.1490583 13200.2375 0.0 15766.19425 0.0 379 539.1376228314792 7.213836 25779.4715 13747.68 28334.244 13135.5605 380 341.10772029317184 7.2142 13601.212 0.0 18302.6975 0.0 381 1007.3304722686656 7.2189083 12530.02925 0.0 19592.0375 0.0 382 503.1611182989061 7.224993 123086.455 98489.1125 141445.50400000002 70564.1775 383 566.1568050838798 7.232582 431259.5725 315498.565 461837.49 246059.38750000004 384 549.1666816899316 7.24799 187287.2225 84371.61750000001 171094.495 65380.4925 385 243.01747958499703 7.2602334 29405.785 27302.975 0.0 0.0 386 353.0719736718401 7.381283 0.0 0.0 0.0 79016.95925 387 728.2101972558147 7.3987937 0.0 22552.1025 53565.209 47400.7635 388 665.2143682537479 7.400247 0.0 19948.68 63010.439 59690.755000000005 389 331.11350343417365 7.46043 29581.396500000003 0.0 66454.60875000001 0.0 390 154.06172597466596 7.46527 372172.5225 228257.975 582377.49 158205.44825000002 391 711.219701545415 7.554122 0.0 19532.46 51677.7475 59253.165 392 665.2146918705007 7.555325 0.0 12704.044 0.0 13569.5245 393 728.210304049564 7.558983 0.0 22925.004 14434.65925 33909.230500000005 394 665.2144782338838 7.6589665 13751.8175 0.0 0.0 0.0 395 154.06169743269285 7.675626 124884.54875 78459.5375 48037.6325 41916.0165 396 131.08221250719097 7.6823187 72391.88425 0.0 34456.0975 41770.7005 397 521.3273246910464 7.6840444 31409.685 0.0 15735.4925 0.0 398 173.10395175344638 7.6845536 120029.64499999999 50266.8935 94459.92 82185.99 399 154.0616812406937 7.8202085 57914.8775 16179.9675 123975.98749999999 0.0 400 145.0977860469393 7.8258553 108713.375 49991.380000000005 171489.075 81420.09625 401 195.0503885530922 7.8264165 0.0 0.0 0.0 130324.4675 402 165.0398028737673 7.828483 0.0 0.0 0.0 37173.41 403 171.00600177800553 7.8455634 39361.8725 0.0 87459.19750000001 22669.4475 404 171.00592826118296 7.9485 33710.9415 0.0 20274.4925 0.0 405 154.06166983247007 7.98075 0.0 0.0 22720.7675 0.0 406 195.05045159730776 7.9821835 0.0 0.0 0.0 17578.3625 407 131.08210329472166 7.9839334 0.0 13718.16 26491.041 0.0 408 333.0587423397049 8.207429 0.0 113885.745 0.0 15323.047 409 158.97797888260817 9.841453 41830.085 0.0 13250.72175 39538.34375 410 289.9483832120276 9.841567 13585.6065 0.0 0.0 0.0 411 272.9585951265392 9.841882 84503.409 29093.105499999998 76481.96175 79326.55475000001 nf_output/GNPS-N-ACYL-LIPIDS-MASSQL.mgf.tsv0000644000000000000000000000000114767266356016572 0ustar rootroot nf_output/MONA.mgf.tsv0000644000000000000000000000000114767266370013650 0ustar rootroot nf_output/ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf.tsv0000644000000000000000000000000114767266351017075 0ustar rootroot nf_output/MASSBANK.mgf.tsv0000644000000000000000000000000114767266363014317 0ustar rootroot nf_output/GNPS-SELLECKCHEM-FDA-PART1.mgf.tsv0000644000000000000000000000000114767266351016616 0ustar rootroot nf_output/CASMI.mgf.tsv0000644000000000000000000000000114767266356013756 0ustar rootroot nf_output/GNPS-COLLECTIONS-MISC.mgf.tsv0000644000000000000000000000000114767266351016171 0ustar rootroot nf_output/GNPS-NIST14-MATCHES.mgf.tsv0000644000000000000000000000000114767266356015673 0ustar rootroot nf_output/GNPS-NUTRI-METAB-FEM-NEG.mgf.tsv0000644000000000000000000000000114767266356016432 0ustar rootroot nf_output/ECG-ACYL-ESTERS-C4-C24-LIBRARY.mgf.tsv0000644000000000000000000000000114767266351017140 0ustar rootroot nf_output/GNPS-NIH-NATURALPRODUCTSLIBRARY.mgf.tsv0000644000000000000000000000000114767266356017622 0ustar rootroot nf_output/GNPS-SAM-SIK-KANG-LEGACY-LIBRARY.mgf.tsv0000644000000000000000000000000114767266356017515 0ustar rootroot nf_output/GNPS-MSMLS.mgf.tsv0000644000000000000000000000000114767266356014562 0ustar rootroot nf_output/LDB_POSITIVE.mgf.tsv0000644000000000000000000000000114767266351015040 0ustar rootroot nf_output/XANTHONES-DB.mgf.tsv0000644000000000000000000000000114767266356014754 0ustar rootroot nf_output/UM-NPDC.mgf.tsv0000644000000000000000000000000114767266351014160 0ustar rootroot nf_output/BMDMS-NP.mgf.tsv0000644000000000000000000000000114767266363014275 0ustar rootroot nf_output/GNPS-D2-AMINO-LIPID-LIBRARY.mgf.tsv0000644000000000000000000000000114767266356016736 0ustar rootroot nf_output/MIADB.mgf.tsv0000644000000000000000000000000114767266351013731 0ustar rootroot nf_output/GNPS-IOBA-NHC.mgf.tsv0000644000000000000000000000000114767266356015007 0ustar rootroot nf_output/DRUGS-OF-ABUSE-LIBRARY.mgf.tsv0000644000000000000000000000000114767266351016242 0ustar rootroot nf_output/MCE-DRUG.mgf.tsv0000644000000000000000000000000114767266356014265 0ustar rootroot nf_output/filesummary/0000755000000000000000000000000014767266356014162 5ustar rootrootnf_output/filesummary/summaryresult.tsv0000644000000000000000000000000114767266356017643 0ustar rootroot nf_output/GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE.mgf.tsv0000644000000000000000000000000114767266356021550 0ustar rootroot nf_output/GNPS-COLLECTIONS-PESTICIDES-POSITIVE.mgf.tsv0000644000000000000000000000000114767266351020332 0ustar rootroot nf_output/temp_pairs/0000755000000000000000000000000014767266370013764 5ustar rootrootnf_output/temp_pairs/0.params_aligns.tsv0000644000000000000000000005253214767266370017507 0ustar rootrootCLUSTERID1 CLUSTERID2 DeltaMZ MinRatio Cosine AlignScore2 AlignScore3 2 5 28.031 0.000 0.9561 0.7440 1 2 23 84.094 0.000 0.8410 0.6361 1 2 46 112.126 0.000 0.8585 0.5854 1 3 10 -28.032 0.000 0.8426 0.5641 1 3 15 -2.015 0.000 0.8620 0.6535 1 3 16 -0.001 0.000 0.9477 0.7046 1 4 12 225.173 0.000 0.8090 0.3958 1 5 23 56.063 0.000 0.8627 0.6719 1 5 46 84.094 0.000 0.8814 0.6664 1 5 178 140.157 0.000 0.7341 0.5102 1 7 52 16.031 0.000 0.8222 0.6394 1 9 148 84.094 0.000 0.7543 0.4364 1 10 15 26.017 0.000 0.8397 0.6446 1 10 16 28.031 0.000 0.8686 0.6154 1 11 74 13.031 0.000 0.7123 0.2828 1 12 81 1.908 0.000 0.7758 0.4219 1 12 104 1.908 0.000 0.7388 0.3885 1 14 17 -15.995 0.000 0.8263 0.4891 1 14 18 -60.021 0.000 0.7790 0.3734 1 14 184 38.125 0.000 0.7480 0.2944 1 14 202 -5.902 0.000 0.7667 0.2655 1 15 16 2.015 0.000 0.8746 0.6535 1 17 18 -44.026 0.000 0.8074 0.4178 1 18 20 -44.027 0.000 0.7148 0.3424 1 19 77 -44.026 0.000 0.8030 0.5463 1 23 46 28.031 0.000 0.8523 0.6550 1 23 178 84.094 0.000 0.7053 0.4623 1 24 45 -44.026 0.000 0.7009 0.3955 1 26 49 0.984 0.000 0.7461 0.5130 1 26 65 3.083 0.000 0.7390 0.4024 1 29 52 -34.042 0.000 0.7052 0.5630 1 29 64 -39.011 0.000 0.7410 0.4641 1 29 95 -35.999 0.000 0.7042 0.4658 1 31 39 -1.159 0.000 0.7853 0.7577 1 32 45 -0.000 0.000 0.7808 0.4631 1 36 38 93.065 0.000 0.8061 0.4646 1 41 42 26.016 0.000 0.8531 0.6999 1 41 66 176.193 0.000 0.7115 0.3466 1 41 88 264.245 0.000 0.9257 0.3922 1 41 97 264.245 0.000 0.9268 0.5192 1 42 50 28.031 0.000 0.8948 0.6319 1 42 88 238.229 0.000 0.7749 0.4006 1 42 97 238.229 0.000 0.7769 0.5130 1 46 178 56.062 0.000 0.7841 0.4702 1 47 50 14.016 0.000 0.7186 0.5931 1 49 62 14.016 0.000 0.7371 0.7636 1 49 65 2.099 0.000 0.7074 0.5680 1 50 51 28.031 0.000 0.8937 0.6556 1 50 98 238.229 0.000 0.8901 0.6534 1 50 99 238.230 0.000 0.9085 0.5388 1 51 99 210.198 0.000 0.7230 0.4890 1 52 64 -4.970 0.000 0.7277 0.4743 1 52 199 13.041 0.000 0.7893 0.5292 1 53 316 -8.983 0.000 0.7346 0.4041 1 53 346 -224.075 0.000 0.7718 0.6487 1 55 106 -150.053 0.000 0.7934 0.3029 1 55 339 -27.980 0.000 0.9150 0.5276 1 60 77 14.015 0.000 0.7452 0.4274 1 62 79 14.015 0.000 0.9476 0.7275 1 62 112 -58.042 0.000 0.7767 0.4129 1 62 131 28.031 0.000 0.9101 0.5714 1 66 97 88.052 0.000 0.7055 0.3887 1 67 70 26.015 0.000 0.9118 0.6629 1 67 215 152.156 0.000 0.8093 0.3873 1 67 258 166.172 0.000 0.8003 0.4687 1 68 69 -1.005 0.000 0.7329 0.4145 1 69 253 14.015 0.000 0.7008 0.3867 1 70 215 126.141 0.000 0.8291 0.4357 1 70 258 140.157 0.000 0.7851 0.4701 1 71 154 -30.011 0.000 0.7460 0.2938 1 71 190 -0.000 0.000 0.9049 0.6350 1 71 218 -30.011 0.000 0.8987 0.6014 1 71 222 -30.011 0.000 0.7636 0.4665 1 71 325 -70.005 0.000 0.7639 0.4962 1 72 128 27.995 0.000 0.8134 0.5995 1 72 149 42.011 0.000 0.7067 0.5546 1 72 160 42.011 0.000 0.7377 0.5903 1 73 75 28.032 0.000 0.7243 0.4198 1 75 76 28.031 0.000 0.8123 0.3084 1 79 112 -72.058 0.000 0.7745 0.4237 1 79 131 14.015 0.000 0.9044 0.5669 1 81 86 -2.015 0.000 0.7636 0.3834 1 81 104 -0.000 0.000 0.9144 0.5365 1 83 107 -46.042 0.000 0.8902 0.7501 1 83 109 -0.000 0.000 0.8704 0.6579 1 85 86 2.017 0.000 0.7349 0.3928 1 86 104 2.015 0.000 0.7784 0.4468 1 87 93 0.036 0.000 0.9614 0.7242 1 87 95 2.016 0.000 0.8823 0.5161 1 88 97 -0.000 0.000 0.8881 0.3681 1 88 98 28.031 0.000 0.7209 0.3684 1 88 99 28.031 0.000 0.7677 0.3660 1 88 101 26.016 0.000 0.9077 0.4117 1 88 111 54.047 0.000 0.7310 0.3829 1 89 94 -0.997 0.000 0.9061 0.7783 1 89 96 -1.990 0.000 0.8258 0.7092 1 89 104 58.005 0.000 0.7124 0.4155 1 90 91 -44.008 0.000 0.7933 0.6828 1 93 95 1.981 0.000 0.8857 0.5106 1 94 96 -0.993 0.000 0.8772 0.7613 1 95 96 -44.003 0.000 0.7501 0.6033 1 97 98 28.031 0.000 0.8197 0.5114 1 97 99 28.031 0.000 0.8506 0.5259 1 97 101 26.016 0.000 0.9534 0.5697 1 97 111 54.047 0.000 0.7411 0.3526 1 98 99 0.000 0.000 0.9526 0.5598 1 98 101 -2.015 0.000 0.8032 0.7006 1 98 102 -3.018 0.000 0.8953 0.6585 1 99 101 -2.015 0.000 0.8029 0.5237 1 99 102 -3.019 0.000 0.8432 0.5015 1 101 102 -1.003 0.000 0.9548 0.7101 1 101 111 28.031 0.000 0.7570 0.4193 1 103 117 -0.001 0.000 0.8151 0.5695 1 107 109 46.041 0.000 0.8573 0.6762 1 108 361 -35.948 0.000 0.7635 0.6822 1 108 371 -35.948 0.000 0.7242 0.6635 1 108 384 -35.948 0.000 0.7736 0.6641 1 108 391 -198.001 0.000 0.7205 0.5667 1 112 131 86.073 0.000 0.8072 0.4012 1 113 192 -15.995 0.000 0.8189 0.3725 1 116 341 -42.032 0.000 0.7265 0.5998 1 116 357 -42.031 0.000 0.7395 0.5811 1 128 149 14.016 0.000 0.8740 0.7121 1 128 206 42.011 0.000 0.8395 0.7032 1 128 341 90.011 0.000 0.7191 0.4804 1 134 342 38.052 0.000 0.8465 0.6856 1 134 371 -124.001 0.000 0.7286 0.6034 1 137 142 170.094 0.000 0.9430 0.4177 1 137 144 -1.980 0.000 0.9260 0.3793 1 137 145 80.084 0.000 0.9485 0.4008 1 141 142 -59.050 0.000 0.9198 0.5857 1 141 145 -149.060 0.000 0.9146 0.4265 1 142 145 -90.010 0.000 0.9366 0.4584 1 144 145 82.064 0.000 0.9271 0.4364 1 146 184 28.031 0.000 0.7150 0.2983 1 146 202 -15.996 0.000 0.7371 0.2852 1 149 160 0.000 0.000 0.7599 0.5969 1 149 206 27.995 0.000 0.8713 0.6312 1 149 207 -152.068 0.000 0.7362 0.6051 1 154 190 30.010 0.000 0.7309 0.2837 1 154 218 -0.000 0.000 0.7766 0.3298 1 154 222 -0.000 0.000 0.7751 0.3298 1 160 206 27.995 0.000 0.8586 0.5966 1 160 207 -152.068 0.000 0.7912 0.6729 1 164 317 42.010 0.000 0.7835 0.2360 1 168 180 0.001 0.000 0.8024 0.4078 1 168 196 -15.011 0.000 0.8626 0.4019 1 170 171 2.016 0.000 0.8505 0.5802 1 170 172 28.031 0.000 0.8316 0.4823 1 171 172 26.015 0.000 0.8302 0.4796 1 173 225 -55.966 0.000 0.7509 0.5651 1 173 226 0.000 0.000 0.9255 0.5670 1 173 229 27.995 0.000 0.9311 0.6132 1 173 236 27.995 0.000 0.8536 0.5078 1 173 241 27.995 0.000 0.8518 0.5331 1 173 286 63.018 0.000 0.7962 0.4562 1 173 287 66.019 0.000 0.8148 0.5276 1 173 342 55.990 0.000 0.8411 0.5231 1 173 343 -240.121 0.000 0.8189 0.4628 1 173 345 -286.126 0.000 0.7297 0.4731 1 174 235 27.995 0.000 0.7199 0.2026 1 179 390 10.010 0.000 0.7759 0.4166 1 184 202 -44.026 0.000 0.7662 0.3177 1 189 191 208.108 0.000 0.9389 0.5537 1 189 194 105.032 0.000 0.7536 0.2231 1 190 218 -30.011 0.000 0.8933 0.6195 1 190 222 -30.010 0.000 0.7753 0.4879 1 190 228 -190.047 0.000 0.7113 0.3874 1 190 325 -70.005 0.000 0.7346 0.5352 1 190 341 -190.047 0.000 0.7494 0.5980 1 190 357 -190.047 0.000 0.7063 0.4597 1 191 301 21.936 0.000 0.7755 0.4786 1 192 266 -98.027 0.000 0.7865 0.3476 1 193 228 80.027 0.000 0.8427 0.5261 1 193 298 44.049 0.000 0.8647 0.5778 1 193 341 80.027 0.000 0.9072 0.5722 1 193 342 34.021 0.000 0.7238 0.6043 1 193 357 80.027 0.000 0.7510 0.5194 1 193 358 44.050 0.000 0.7568 0.5285 1 193 372 -82.026 0.000 0.7359 0.4260 1 193 382 -82.026 0.000 0.7196 0.4204 1 194 233 6.026 0.000 0.7478 0.1712 1 194 307 34.021 0.000 0.7082 0.1709 1 194 349 34.021 0.000 0.7552 0.2026 1 201 208 -0.000 0.000 0.7988 0.5627 1 203 204 327.121 0.000 0.8745 0.6634 1 203 205 -37.956 0.000 0.9170 0.6779 1 203 207 210.053 0.000 0.9476 0.7516 1 204 349 48.000 0.000 0.7335 0.3063 1 204 373 -114.053 0.000 0.7325 0.3070 1 205 207 248.009 0.000 0.8936 0.6769 1 206 207 -180.064 0.000 0.7767 0.7870 1 206 251 -15.994 0.000 0.7271 0.5703 1 209 356 27.995 0.000 0.8354 0.2447 1 209 362 -134.058 0.000 0.7718 0.2269 1 209 373 -134.058 0.000 0.8275 0.2297 1 209 383 -134.058 0.000 0.8476 0.2989 1 215 258 14.016 0.000 0.7856 0.3824 1 217 323 27.995 0.000 0.7408 0.2514 1 217 349 27.995 0.000 0.7531 0.2819 1 217 373 -134.058 0.000 0.7069 0.2536 1 217 383 -134.058 0.000 0.7151 0.2564 1 218 222 0.000 0.000 0.9523 0.6641 1 218 228 -160.037 0.000 0.7199 0.4336 1 218 320 -160.037 0.000 0.7160 0.5278 1 218 325 -39.994 0.000 0.7083 0.5133 1 218 341 -160.037 0.000 0.7579 0.5626 1 218 357 -160.036 0.000 0.7411 0.5251 1 222 228 -160.037 0.000 0.7438 0.4656 1 222 320 -160.037 0.000 0.7090 0.5369 1 222 325 -39.995 0.000 0.7271 0.4776 1 222 341 -160.037 0.000 0.7834 0.5349 1 222 357 -160.037 0.000 0.7614 0.5142 1 225 226 55.966 0.000 0.7845 0.6640 1 225 229 83.962 0.000 0.7461 0.5893 1 225 236 83.962 0.000 0.7056 0.5142 1 225 241 83.962 0.000 0.7042 0.5570 1 225 343 -184.155 0.000 0.7179 0.4822 1 226 229 27.995 0.000 0.9588 0.8299 1 226 236 27.995 0.000 0.9118 0.7111 1 226 241 27.995 0.000 0.9073 0.6442 1 226 286 63.018 0.000 0.8532 0.6934 1 226 287 66.019 0.000 0.8680 0.7274 1 226 342 55.990 0.000 0.8894 0.7134 1 226 343 -240.121 0.000 0.8826 0.7141 1 226 345 -286.126 0.000 0.7880 0.7193 1 227 229 -46.006 0.000 0.7005 0.3714 1 228 298 -35.977 0.000 0.8040 0.5278 1 228 341 -0.000 0.000 0.9192 0.5478 1 228 357 0.000 0.000 0.7871 0.5136 1 228 358 -35.977 0.000 0.7040 0.4442 1 228 372 -162.053 0.000 0.7422 0.4318 1 228 382 -162.053 0.000 0.7426 0.4596 1 229 236 0.000 0.000 0.9268 0.7163 1 229 241 0.000 0.000 0.9195 0.6566 1 229 286 35.023 0.000 0.8809 0.7388 1 229 287 38.023 0.000 0.9002 0.7656 1 229 298 38.023 0.000 0.7057 0.6738 1 229 342 27.995 0.000 0.9438 0.8024 1 229 343 -268.116 0.000 0.8811 0.7630 1 229 371 -134.058 0.000 0.7034 0.7595 1 229 384 -134.058 0.000 0.7535 0.7302 1 230 231 -0.960 0.000 0.8649 0.5005 1 230 339 28.030 0.000 0.8163 0.4301 1 231 232 2.975 0.000 0.7675 0.6388 1 232 233 25.020 0.000 0.7339 0.2995 1 233 243 -83.026 0.000 0.8014 0.2819 1 233 323 27.995 0.000 0.8688 0.2779 1 233 349 27.995 0.000 0.8907 0.3135 1 233 362 -134.058 0.000 0.7445 0.1789 1 233 373 -134.058 0.000 0.8159 0.2245 1 233 383 -134.058 0.000 0.8416 0.3100 1 235 323 27.995 0.000 0.7648 0.2227 1 235 356 27.995 0.000 0.7186 0.1992 1 235 373 -134.058 0.000 0.7068 0.2101 1 236 241 0.000 0.000 0.9391 0.6723 1 236 286 35.023 0.000 0.9040 0.7084 1 236 287 38.023 0.000 0.9085 0.7020 1 236 298 38.023 0.000 0.7120 0.6086 1 236 342 27.995 0.000 0.9302 0.6995 1 236 343 -268.116 0.000 0.9097 0.7227 1 240 323 27.995 0.000 0.8050 0.2128 1 240 349 27.995 0.000 0.8185 0.2297 1 240 373 -134.058 0.000 0.7515 0.2200 1 240 383 -134.058 0.000 0.7669 0.2383 1 241 286 35.023 0.000 0.8857 0.6251 1 241 287 38.023 0.000 0.8997 0.6396 1 241 342 27.995 0.000 0.9201 0.6243 1 241 343 -268.116 0.000 0.8913 0.6284 1 241 345 -314.122 0.000 0.7105 0.6362 1 243 302 27.947 0.000 0.7047 0.2903 1 256 301 -96.030 0.000 0.7378 0.3690 1 264 266 -5.957 0.000 0.8675 0.4815 1 265 302 -27.011 0.000 0.7521 0.4469 1 265 313 -12.996 0.000 0.8155 0.4900 1 265 318 14.015 0.000 0.8182 0.5231 1 265 343 -223.059 0.000 0.8417 0.5070 1 266 269 -201.076 0.000 0.9064 0.4310 1 267 269 -195.120 0.000 0.9235 0.4280 1 269 313 -7.039 0.000 0.7896 0.2593 1 269 323 62.019 0.000 0.8828 0.2931 1 269 331 -74.994 0.000 0.7452 0.3533 1 269 333 -22.039 0.000 0.8773 0.3907 1 269 336 -67.012 0.000 0.7121 0.4036 1 269 349 62.019 0.000 0.8967 0.3322 1 273 298 -30.011 0.000 0.8072 0.5292 1 273 324 -30.011 0.000 0.7043 0.4288 1 276 288 0.251 0.000 0.7602 0.4561 1 278 298 196.073 0.000 0.7346 0.4218 1 282 297 0.000 0.000 0.7624 0.6532 1 282 369 27.995 0.000 0.8310 0.6487 1 282 370 -440.198 0.000 0.7435 0.5866 1 282 371 17.966 0.000 0.8544 0.6703 1 282 379 27.995 0.000 0.7028 0.4935 1 282 381 -440.198 0.000 0.7681 0.6436 1 282 384 17.966 0.000 0.8239 0.6559 1 284 341 0.000 0.000 0.7130 0.3091 1 285 319 0.000 0.000 0.8878 0.7432 1 286 287 3.000 0.000 0.9545 0.8462 1 286 298 3.000 0.000 0.7774 0.6665 1 286 322 -303.139 0.000 0.7314 0.7043 1 286 342 -7.028 0.000 0.9122 0.7761 1 286 343 -303.139 0.000 0.8490 0.7194 1 286 344 -10.036 0.000 0.7107 0.6975 1 286 372 -123.075 0.000 0.7040 0.5274 1 286 382 -123.075 0.000 0.7058 0.5484 1 286 384 -169.081 0.000 0.7120 0.5895 1 287 291 27.995 0.000 0.8818 0.6692 1 287 298 -0.000 0.000 0.7841 0.6748 1 287 322 -306.139 0.000 0.7430 0.7293 1 287 341 35.977 0.000 0.7081 0.5804 1 287 342 -10.028 0.000 0.9265 0.7608 1 287 343 -306.140 0.000 0.8635 0.7247 1 287 369 -162.052 0.000 0.7446 0.6181 1 287 372 -126.076 0.000 0.7148 0.5499 1 287 382 -126.076 0.000 0.7208 0.5810 1 287 384 -172.081 0.000 0.7145 0.6122 1 288 292 -1.997 0.000 0.8338 0.4706 1 294 295 -1.997 0.000 0.8052 0.5414 1 297 369 27.995 0.000 0.7722 0.5647 1 297 371 17.966 0.000 0.7154 0.5142 1 297 372 63.971 0.000 0.7019 0.5020 1 297 382 63.971 0.000 0.7019 0.5148 1 297 384 17.966 0.000 0.7371 0.5524 1 298 303 35.977 0.000 0.7024 0.5225 1 298 308 -306.139 0.000 0.7804 0.6394 1 298 320 35.977 0.000 0.7750 0.6061 1 298 322 -306.139 0.000 0.8306 0.7108 1 298 324 0.000 0.000 0.8211 0.6330 1 298 338 0.000 0.000 0.7781 0.5647 1 298 341 35.977 0.000 0.8799 0.6213 1 298 342 -10.028 0.000 0.7578 0.6710 1 298 351 0.000 0.000 0.7326 0.4828 1 298 357 35.978 0.000 0.8360 0.6121 1 298 358 0.000 0.000 0.7876 0.5142 1 298 361 -172.081 0.000 0.7407 0.6485 1 298 369 -162.052 0.000 0.7595 0.6393 1 298 371 -172.081 0.000 0.7298 0.6110 1 298 372 -126.076 0.000 0.8663 0.5987 1 298 379 -162.052 0.000 0.7355 0.4429 1 298 382 -126.076 0.000 0.8892 0.6569 1 298 384 -172.081 0.000 0.7846 0.6418 1 301 302 -174.065 0.000 0.7464 0.3635 1 302 307 83.074 0.000 0.7218 0.3308 1 302 308 -196.047 0.000 0.7286 0.7078 1 302 313 14.015 0.000 0.8919 0.6082 1 302 318 41.026 0.000 0.8921 0.7383 1 302 322 -196.047 0.000 0.7648 0.7896 1 302 323 83.074 0.000 0.7064 0.2784 1 302 333 -0.984 0.000 0.8231 0.4621 1 302 335 -23.965 0.000 0.7222 0.4223 1 302 337 20.061 0.000 0.7244 0.4798 1 302 339 56.073 0.000 0.7629 0.3919 1 302 343 -196.047 0.000 0.8561 0.6815 1 302 349 83.074 0.000 0.7140 0.3144 1 302 382 -15.984 0.000 0.7171 0.5746 1 303 320 0.000 0.000 0.8299 0.5154 1 303 324 -35.977 0.000 0.7167 0.5125 1 303 341 -0.000 0.000 0.7038 0.4273 1 303 357 0.000 0.000 0.7445 0.4494 1 303 372 -162.053 0.000 0.7169 0.5286 1 303 382 -162.053 0.000 0.7328 0.5542 1 307 313 -69.058 0.000 0.7400 0.2753 1 307 323 -0.000 0.000 0.8231 0.2695 1 307 349 -0.000 0.000 0.8363 0.2812 1 307 362 -162.053 0.000 0.7342 0.2277 1 307 373 -162.053 0.000 0.7863 0.2626 1 307 383 -162.053 0.000 0.8103 0.2948 1 308 318 237.074 0.000 0.8091 0.7313 1 308 322 0.000 0.000 0.9508 0.7852 1 308 324 306.139 0.000 0.8482 0.6975 1 308 338 306.139 0.000 0.8048 0.5417 1 308 361 134.058 0.000 0.8469 0.6566 1 308 371 134.058 0.000 0.7301 0.6074 1 308 372 180.064 0.000 0.7992 0.5692 1 308 382 180.064 0.000 0.8437 0.6104 1 308 384 134.058 0.000 0.7715 0.6215 1 308 388 18.010 0.000 0.7581 0.4607 1 308 391 -27.995 0.000 0.7038 0.4407 1 309 333 44.973 0.000 0.7780 0.5863 1 309 336 0.000 0.000 0.8398 0.6161 1 309 337 66.018 0.000 0.7518 0.4679 1 309 343 -150.090 0.000 0.7172 0.3865 1 309 346 86.984 0.000 0.7320 0.4777 1 309 356 129.031 0.000 0.7080 0.2458 1 311 313 -188.081 0.000 0.8558 0.4253 1 311 347 -188.081 0.000 0.7838 0.6329 1 313 318 27.011 0.000 0.8309 0.5837 1 313 323 69.058 0.000 0.7730 0.3078 1 313 333 -15.000 0.000 0.8296 0.3766 1 313 335 -37.981 0.000 0.7621 0.2951 1 313 337 6.045 0.000 0.7511 0.3150 1 313 339 42.058 0.000 0.7979 0.3074 1 313 340 -246.040 0.000 0.7418 0.3160 1 313 343 -210.063 0.000 0.8628 0.5605 1 313 346 27.011 0.000 0.7537 0.4403 1 313 347 -0.000 0.000 0.7502 0.3819 1 313 349 69.058 0.000 0.7833 0.3259 1 313 356 69.058 0.000 0.7069 0.2298 1 313 398 300.058 0.000 0.8112 0.3031 1 314 316 -0.945 0.000 0.7656 0.4794 1 318 322 -237.074 0.000 0.8466 0.8015 1 318 343 -237.074 0.000 0.8447 0.7020 1 318 372 -57.010 0.000 0.7635 0.5819 1 318 382 -57.010 0.000 0.7886 0.6148 1 320 322 -342.117 0.000 0.7509 0.7017 1 320 324 -35.977 0.000 0.7677 0.6466 1 320 338 -35.977 0.000 0.7169 0.4617 1 320 341 -0.000 0.000 0.7610 0.5754 1 320 357 0.000 0.000 0.7660 0.5675 1 320 361 -208.059 0.000 0.7104 0.5719 1 320 372 -162.053 0.000 0.7694 0.5157 1 320 382 -162.053 0.000 0.7978 0.5524 1 322 324 306.139 0.000 0.8740 0.7705 1 322 338 306.139 0.000 0.8338 0.5747 1 322 342 296.111 0.000 0.7021 0.7416 1 322 361 134.058 0.000 0.8788 0.7274 1 322 369 144.087 0.000 0.7287 0.5919 1 322 370 -324.106 0.000 0.7255 0.5104 1 322 371 134.058 0.000 0.7745 0.7281 1 322 372 180.064 0.000 0.8260 0.5832 1 322 381 -324.106 0.000 0.7340 0.5907 1 322 382 180.064 0.000 0.8760 0.6516 1 322 384 134.058 0.000 0.8176 0.7174 1 322 388 18.010 0.000 0.7742 0.4954 1 322 391 -27.995 0.000 0.7255 0.4795 1 322 394 18.010 0.000 0.7195 0.5251 1 323 340 -315.098 0.000 0.7900 0.2869 1 323 343 -279.121 0.000 0.7897 0.3292 1 323 349 -0.000 0.000 0.8814 0.3210 1 323 362 -162.053 0.000 0.7500 0.2088 1 323 373 -162.053 0.000 0.8160 0.2491 1 323 383 -162.053 0.000 0.8383 0.3247 1 324 338 0.000 0.000 0.8832 0.6037 1 324 357 35.977 0.000 0.7345 0.5356 1 324 358 0.000 0.000 0.7017 0.5369 1 324 361 -172.081 0.000 0.7984 0.6302 1 324 369 -162.052 0.000 0.7565 0.5605 1 324 371 -172.081 0.000 0.7007 0.5468 1 324 372 -126.076 0.000 0.8274 0.5495 1 324 382 -126.076 0.000 0.8333 0.5565 1 324 384 -172.081 0.000 0.7371 0.5524 1 324 388 -288.129 0.000 0.7106 0.4660 1 329 335 341.117 0.000 0.8137 0.5763 1 329 343 169.036 0.000 0.7055 0.4731 1 331 333 52.955 0.000 0.7034 0.3694 1 331 335 29.974 0.000 0.7569 0.4291 1 331 337 74.000 0.000 0.8742 0.5414 1 331 339 110.013 0.000 0.7471 0.3817 1 331 345 -188.113 0.000 0.8531 0.5646 1 333 335 -22.981 0.000 0.8184 0.5407 1 333 337 21.045 0.000 0.8315 0.4544 1 333 339 57.058 0.000 0.8728 0.5985 1 333 343 -195.063 0.000 0.7654 0.3943 1 333 346 42.011 0.000 0.7529 0.5000 1 333 347 14.999 0.000 0.7168 0.4205 1 333 349 84.058 0.000 0.8282 0.3146 1 335 337 44.026 0.000 0.9398 0.6219 1 335 343 -172.082 0.000 0.7770 0.3806 1 335 346 64.992 0.000 0.7762 0.5046 1 335 348 64.006 0.000 0.8008 0.5137 1 336 340 -186.067 0.000 0.8198 0.4754 1 336 347 59.973 0.000 0.7744 0.4695 1 337 339 36.013 0.000 0.8544 0.4813 1 337 343 -216.108 0.000 0.7737 0.4480 1 337 345 -262.113 0.000 0.7754 0.5402 1 337 346 20.966 0.000 0.7567 0.4877 1 338 357 35.977 0.000 0.7073 0.4239 1 338 361 -172.081 0.000 0.7579 0.5667 1 338 369 -162.052 0.000 0.7257 0.5499 1 338 372 -126.076 0.000 0.7910 0.5465 1 338 382 -126.076 0.000 0.7980 0.5505 1 338 384 -172.081 0.000 0.7037 0.5442 1 339 343 -252.121 0.000 0.8360 0.4672 1 339 346 -15.047 0.000 0.7826 0.6157 1 339 348 -16.033 0.000 0.8180 0.5496 1 340 343 35.977 0.000 0.7903 0.4631 1 341 342 -46.006 0.000 0.7192 0.5907 1 341 357 0.000 0.000 0.8540 0.6605 1 341 358 -35.977 0.000 0.7644 0.5248 1 341 372 -162.053 0.000 0.8098 0.5044 1 341 382 -162.053 0.000 0.7997 0.5101 1 342 343 -296.111 0.000 0.8829 0.8077 1 342 344 -3.008 0.000 0.7265 0.7610 1 342 371 -162.053 0.000 0.8736 0.7021 1 342 384 -162.053 0.000 0.8338 0.7019 1 343 345 -46.005 0.000 0.7730 0.7084 1 343 346 237.074 0.000 0.7854 0.4671 1 343 349 279.121 0.000 0.7941 0.3369 1 346 348 -0.986 0.000 0.7570 0.6145 1 346 349 42.047 0.000 0.7261 0.3257 1 348 349 43.033 0.000 0.7205 0.3059 1 349 362 -162.053 0.000 0.7624 0.2234 1 349 373 -162.053 0.000 0.8378 0.2943 1 349 383 -162.053 0.000 0.8509 0.3268 1 357 358 -35.977 0.000 0.7254 0.4862 1 357 372 -162.053 0.000 0.7633 0.4587 1 357 382 -162.053 0.000 0.7819 0.5056 1 358 382 -126.076 0.000 0.7205 0.4758 1 361 369 10.029 0.000 0.8690 0.7421 1 361 370 -458.164 0.000 0.7364 0.6485 1 361 371 -0.000 0.000 0.8497 0.8365 1 361 372 46.005 0.000 0.8241 0.6303 1 361 379 10.029 0.000 0.7872 0.4866 1 361 381 -458.164 0.000 0.7560 0.7007 1 361 382 46.005 0.000 0.8386 0.6561 1 361 384 -0.000 0.000 0.8739 0.8055 1 361 388 -116.048 0.000 0.8590 0.5739 1 361 391 -162.053 0.000 0.8581 0.6671 1 361 392 -116.048 0.000 0.7007 0.4311 1 361 394 -116.048 0.000 0.7867 0.5754 1 362 373 -0.000 0.000 0.7785 0.3469 1 362 376 -70.042 0.000 0.7040 0.2262 1 362 383 -0.000 0.000 0.7879 0.3194 1 364 373 103.052 0.000 0.7454 0.2530 1 364 374 30.010 0.000 0.7806 0.2047 1 364 377 -0.000 0.000 0.8510 0.3127 1 364 383 103.052 0.000 0.7474 0.2220 1 369 370 -468.193 0.000 0.7953 0.5970 1 369 371 -10.029 0.000 0.8931 0.7270 1 369 372 35.977 0.000 0.7298 0.5792 1 369 379 0.000 0.000 0.7890 0.4951 1 369 381 -468.193 0.000 0.8116 0.6557 1 369 382 35.977 0.000 0.7421 0.6188 1 369 384 -10.029 0.000 0.9008 0.7431 1 369 388 -126.077 0.000 0.7642 0.5305 1 369 391 -172.082 0.000 0.7723 0.5557 1 369 394 -126.077 0.000 0.7850 0.6105 1 370 371 458.164 0.000 0.8280 0.6406 1 370 379 468.193 0.000 0.7071 0.4911 1 370 381 0.000 0.000 0.8761 0.6540 1 370 384 458.164 0.000 0.8146 0.6588 1 370 388 342.116 0.000 0.7289 0.5806 1 370 391 296.111 0.000 0.7359 0.5770 1 370 394 342.116 0.000 0.7182 0.5636 1 371 372 46.006 0.000 0.7635 0.6694 1 371 379 10.029 0.000 0.7716 0.5329 1 371 381 -458.164 0.000 0.8624 0.7204 1 371 382 46.006 0.000 0.7613 0.6695 1 371 384 0.000 0.000 0.9543 0.8464 1 371 388 -116.048 0.000 0.7517 0.5727 1 371 391 -162.053 0.000 0.8004 0.6643 1 371 394 -116.048 0.000 0.7649 0.6061 1 372 379 -35.977 0.000 0.7183 0.4568 1 372 382 -0.000 0.000 0.8806 0.6517 1 372 384 -46.006 0.000 0.8073 0.6469 1 372 388 -162.053 0.000 0.7543 0.5214 1 372 394 -162.053 0.000 0.7533 0.5554 1 373 374 -73.042 0.000 0.7823 0.2501 1 373 376 -70.042 0.000 0.7817 0.2854 1 373 377 -103.052 0.000 0.8179 0.2558 1 373 383 0.000 0.000 0.8202 0.3382 1 374 376 3.000 0.000 0.8603 0.5065 1 374 377 -30.011 0.000 0.8805 0.4952 1 376 377 -33.010 0.000 0.8695 0.4393 1 376 383 70.042 0.000 0.7691 0.2801 1 377 383 103.052 0.000 0.8246 0.2690 1 379 381 -468.193 0.000 0.7535 0.5046 1 379 382 35.977 0.000 0.7265 0.4933 1 379 384 -10.029 0.000 0.8033 0.5031 1 379 388 -126.077 0.000 0.7039 0.4801 1 379 391 -172.082 0.000 0.7105 0.5012 1 379 394 -126.077 0.000 0.7546 0.4756 1 381 384 458.164 0.000 0.8751 0.7393 1 381 391 296.111 0.000 0.7406 0.5627 1 381 394 342.116 0.000 0.7357 0.5986 1 382 384 -46.006 0.000 0.8311 0.6823 1 382 388 -162.053 0.000 0.7740 0.5587 1 382 394 -162.053 0.000 0.7777 0.5917 1 384 388 -116.048 0.000 0.7664 0.5814 1 384 391 -162.053 0.000 0.8442 0.7019 1 384 394 -116.048 0.000 0.8073 0.6081 1 388 391 -46.005 0.000 0.8680 0.6594 1 388 392 -0.000 0.000 0.7330 0.4802 1 388 394 -0.000 0.000 0.7947 0.5824 1 390 395 0.000 0.000 0.7524 0.2753 1 390 399 0.000 0.000 0.8319 0.4246 1 390 405 0.000 0.000 0.8184 0.4484 1 391 392 46.005 0.000 0.7388 0.5102 1 391 394 46.005 0.000 0.8036 0.6394 1 395 399 0.000 0.000 0.7044 0.2683 1 399 405 0.000 0.000 0.7549 0.4257 1 410 411 16.990 0.000 0.8121 0.4805 1 nf_output/CMMC-FOOD-BIOMARKERS.mgf.tsv0000644000000000000000000000000114767266356016022 0ustar rootroot nf_output/LDB_NEGATIVE.mgf.tsv0000644000000000000000000000000114767266356015005 0ustar rootroot nf_output/NEO-MSMS.mgf.tsv0000644000000000000000000000000114767266356014320 0ustar rootroot nf_output/SUMNER.mgf.tsv0000644000000000000000000000000114767266351014126 0ustar rootroot nf_output/GNPS-COLLECTIONS-PESTICIDES-NEGATIVE.mgf.tsv0000644000000000000000000000000114767266356020277 0ustar rootroot nf_output/PHENOLICSDB.mgf.tsv0000644000000000000000000000000114767266356014654 0ustar rootroot nf_output/BERKELEY-LAB.mgf.tsv0000644000000000000000000000000114767266356014720 0ustar rootroot nf_output/library_intermediate/0000755000000000000000000000000014767267001016007 5ustar rootrootnf_output/library_intermediate/merged_results.tsv0000644000000000000000000004452514767267001021603 0ustar rootroot#Scan# SpectrumFile Annotation OrigAnnotation Protein dbIndex numMods matchOrientation startMass Charge MQScore p-value isDecoy StrictEnvelopeScore UnstrictEvelopeScore CompoundName Organism FileScanUniqueID FDR LibraryName mzErrorPPM LibMetaData Smiles Inchi LibSearchSharedPeaks Abundance ParentMassDiff SpecMZ ExactMass LibrarySpectrumID 341 spectra_filtered.mgf *..* :68198 145149 -1 0 341.109 -1 0.97962 0 0 424.887 49608.7 sucrose [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf341 -1 MSNLIB-NEGATIVE.mgf 2.68397 9 0 0.000915527 341.108 0 CCMSLIB00012867694 188 spectra_filtered.mgf *..* :28010 48991 -1 0 157.037 0 0.96804 0 0 205.695 18057.6 ALLANTOIN [M-H]- MONA temp/spectra_filtered.mgf188 -1 MONA.mgf 4.76118 6 0 0.000747681 157.036 0 CCMSLIB00004721591 168 spectra_filtered.mgf *..* :1952 321 -1 0 267.073 -1 0.960918 0 0 13313200.0 76763.0 INOSINE M-H GNPS-EMBL-MCF temp/spectra_filtered.mgf168 -1 GNPS-EMBL-MCF.mgf 0.457067 7 0 0.00012207 267.073 0 CCMSLIB00000578104 320 spectra_filtered.mgf *..* :1736 50977 -1 0 341.109 -1 0.960544 0 0 428.9 8904.12 MALTOSE M-H MONA temp/spectra_filtered.mgf320 -1 MONA.mgf 3.04184 10 0 0.0010376 341.108 0 CCMSLIB00006680006 41 spectra_filtered.mgf *..* :5551 1739 -1 0 742.537 -1 0.958908 0 0 51403.1 56054.1 Spectral Match to 1-Stearoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine from NIST14 M-H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf41 -1 GNPS-NIST14-MATCHES.mgf 2.46594 9 0 0.00183105 742.539 0 CCMSLIB00003136226 71 spectra_filtered.mgf *..* :1084 50325 -1 0 151.061 0 0.956928 0 0 350.9 3042.78 ARABITOL M-H MONA temp/spectra_filtered.mgf71 -1 MONA.mgf 2.52527 7 0 0.00038147 151.061 0 CCMSLIB00006679354 101 spectra_filtered.mgf *..* :1681 2854 -1 0 452.279 -1 0.945453 0 0 7016660.0 98858.0 Spectral Match to 1-Palmitoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine from NIST14 M-H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf101 -1 GNPS-NIST14-MATCHES.mgf 3.44123 10 0 0.0015564 452.277 0 CCMSLIB00003137341 13 spectra_filtered.mgf *..* :36291 48290 -1 0 204.124 0 0.9449 0 0 2441600.0 3500.0 Massbank:LU085152 Panthenol M-H MASSBANK temp/spectra_filtered.mgf13 -1 MASSBANK.mgf 1.64456 8 0 0.000335693 204.124 0 CCMSLIB00005761842 121 spectra_filtered.mgf *..* :1363 50604 -1 0 243.062 -1 0.944793 0 0 215.9 21410.7 URIDINE M-H MONA temp/spectra_filtered.mgf121 -1 MONA.mgf 1.9461 8 0 0.000473022 243.062 0 CCMSLIB00006679633 50 spectra_filtered.mgf *..* :1183 1183 -1 0 688.492 -1 0.942238 0 0 14480.7 13224.2 PE(16:0/16:1); [M-H]- C37H71N1O8P1 M-H PNNL-LIPIDS-NEGATIVE temp/spectra_filtered.mgf50 -1 PNNL-LIPIDS-NEGATIVE.mgf 0.0 10 0 0.0 688.492 0 CCMSLIB00010060701 190 spectra_filtered.mgf *..* :331 777 -1 0 151.061 0 0.942129 0 0 23356300.0 7151.98 xylitol CollisionEnergy:102040 M-H BERKELEY-LAB temp/spectra_filtered.mgf190 -1 BERKELEY-LAB.mgf 1.51516 6 0 0.000228882 151.061 0 CCMSLIB00010102765 206 spectra_filtered.mgf *..* :32347 32347 -1 0 389.109 -1 0.942109 0 0 626.021 128065.0 Deacetylasperulosidic acid [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf206 -1 MSNLIB-NEGATIVE.mgf 2.50974 11 0 0.000976562 389.108 0 CCMSLIB00012345519 192 spectra_filtered.mgf *..* :432 49673 -1 0 167.021 -1 0.933697 0 0 55.3 23604.2 URIC ACID M-H MONA temp/spectra_filtered.mgf192 -1 MONA.mgf 1.55309 6 0 0.000259399 167.021 0 CCMSLIB00006678702 298 spectra_filtered.mgf *..* :191 637 -1 0 377.086 -1 0.93226 0 0 1387040.0 53716.8 Palatinose CollisionEnergy:102040 M+Cl BERKELEY-LAB temp/spectra_filtered.mgf298 -1 BERKELEY-LAB.mgf 1.53767 12 0 0.000579834 377.085 0 CCMSLIB00010102625 128 spectra_filtered.mgf *..* :67895 67895 -1 0 431.12 -1 0.929676 0 0 322.498 116009.0 Asperulosidic acid [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf128 -1 MSNLIB-NEGATIVE.mgf 2.47754 14 0 0.00106812 431.119 0 CCMSLIB00012416270 38 spectra_filtered.mgf *..* :4471 4917 -1 0 437.214 0 0.929644 0 0 12679700.0 37737.7 D-pantothenic acid CollisionEnergy:102040 2M-H BERKELEY-LAB temp/spectra_filtered.mgf38 -1 BERKELEY-LAB.mgf 0.907401 6 0 0.000396729 437.214 0 CCMSLIB00010106905 218 spectra_filtered.mgf *..* :377 823 -1 0 181.072 -1 0.928495 0 0 7194610.0 17617.8 D-Sorbitol CollisionEnergy:102040 M-H BERKELEY-LAB temp/spectra_filtered.mgf218 -1 BERKELEY-LAB.mgf 3.45504 6 0 0.00062561 181.071 0 CCMSLIB00010102811 222 spectra_filtered.mgf *..* :86 86 -1 0 181.072 -1 0.927363 0 0 39724700.0 35483.4 Sorbitol - 40.0 eV M-H BIRMINGHAM-UHPLC-MS-NEG temp/spectra_filtered.mgf222 -1 BIRMINGHAM-UHPLC-MS-NEG.mgf 4.04492 7 0 0.000732422 181.071 0 CCMSLIB00006112639 88 spectra_filtered.mgf *..* :580 580 -1 0 478.293 -1 0.924522 0 0 6528.4 21076.0 PE(18:1/0:0); [M-H]- C23H45N1O7P1 M-H PNNL-LIPIDS-NEGATIVE temp/spectra_filtered.mgf88 -1 PNNL-LIPIDS-NEGATIVE.mgf 0.765662 6 0 0.000366211 478.293 0 CCMSLIB00010059880 357 spectra_filtered.mgf *..* :187 687 -1 0 341.109 0 0.92207 0 0 1054860.0 7911.31 Gentiobiose M-H LEAFBOT temp/spectra_filtered.mgf357 -1 LEAFBOT.mgf 3.3997 9 0 0.00115967 341.108 0 CCMSLIB00012725656 97 spectra_filtered.mgf *..* :580 580 -1 0 478.293 -1 0.914195 0 0 6528.4 34029.8 PE(18:1/0:0); [M-H]- C23H45N1O7P1 M-H PNNL-LIPIDS-NEGATIVE temp/spectra_filtered.mgf97 -1 PNNL-LIPIDS-NEGATIVE.mgf 1.2123 6 0 0.000579834 478.294 0 CCMSLIB00010059880 196 spectra_filtered.mgf *..* :824 355 -1 0 282.084 -1 0.913444 0 0 5415920.0 15618.9 GUANOSINE M-H GNPS-EMBL-MCF temp/spectra_filtered.mgf196 -1 GNPS-EMBL-MCF.mgf 1.29823 6 0 0.000366211 282.084 0 CCMSLIB00000578138 42 spectra_filtered.mgf *..* :1536 46 -1 0 716.522 -1 0.912405 0 0 132088.0 116378.0 PE(18:1_16:0) - (2-aminoethoxy)[2-(hexadecanoyloxy)-3-[octadec-11-enoyloxy]propoxy]phosphinic acid M-H HCE-CELL-LYSATE-LIPIDS temp/spectra_filtered.mgf42 -1 HCE-CELL-LYSATE-LIPIDS.mgf 1.10737 15 0 0.000793457 716.523 0 CCMSLIB00005720953 228 spectra_filtered.mgf *..* :1726 50967 -1 0 341.109 -1 0.909021 0 0 387.1 8612.89 SUCROSE M-H MONA temp/spectra_filtered.mgf228 -1 MONA.mgf 3.1313 8 0 0.00106812 341.108 0 CCMSLIB00006679996 14 spectra_filtered.mgf *..* :21179 39642 -1 0 293.118 -1 0.908799 0 0 121.339 8233.0 (1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one [M-H]- MONA temp/spectra_filtered.mgf14 -1 MONA.mgf 206.666 6 0 0.0605774 293.179 0 CCMSLIB00004712242 342 spectra_filtered.mgf *..* :68211 145162 -1 0 387.114 -1 0.905197 0 0 189.023 1408520.0 sucrose [M+FA]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf342 -1 MSNLIB-NEGATIVE.mgf 0.946003 14 0 0.000366211 387.114 0 CCMSLIB00012867720 401 spectra_filtered.mgf *..* :123 123 -1 0 195.051 -1 0.899855 0 0 26371200.0 17566.7 1726059 - 40.0 eV M-H BIRMINGHAM-UHPLC-MS-NEG temp/spectra_filtered.mgf401 -1 BIRMINGHAM-UHPLC-MS-NEG.mgf 3.12919 8 0 0.000610352 195.05 0 CCMSLIB00006112686 287 spectra_filtered.mgf *..* :68200 145151 -1 0 377.086 -1 0.899686 0 0 257.444 152530.0 sucrose [M+Cl]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf287 -1 MSNLIB-NEGATIVE.mgf 1.6186 11 0 0.000610352 377.085 0 CCMSLIB00012867698 10 spectra_filtered.mgf *..* :1408 89 -1 0 802.56 -1 0.897242 0 0 21544.0 16726.7 [M+Formate]- PC(16:0_18:2) - (2-{[3-(hexadecanoyloxy)-2-[octadeca-9.12-dienoyloxy]propyl phosphono]oxy}ethyl)trimethylazanium M-H HCE-CELL-LYSATE-LIPIDS temp/spectra_filtered.mgf10 -1 HCE-CELL-LYSATE-LIPIDS.mgf 0.456304 13 0 0.000366211 802.56 0 CCMSLIB00005720996 84 spectra_filtered.mgf *..* :5624 5624 -1 0 194.046 0 0.891339 0 0 93264800.0 10755.9 4-HYDROXY-BZ-GLY-OH - 40.0 eV M-H BIRMINGHAM-UHPLC-MS-NEG temp/spectra_filtered.mgf84 -1 BIRMINGHAM-UHPLC-MS-NEG.mgf 4.01038 6 0 0.000778198 194.045 0 CCMSLIB00006125235 69 spectra_filtered.mgf *..* :21193 39656 -1 0 161.046 0 0.889192 0 0 235.494 7023.66 Meglutol [M-H]- MONA temp/spectra_filtered.mgf69 -1 MONA.mgf 6.63236 7 0 0.00106812 161.045 0 CCMSLIB00004712256 118 spectra_filtered.mgf *..* :62325 139276 -1 0 279.039 -1 0.887541 0 0 165.619 5372.98 uridine [M+Cl]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf118 -1 MSNLIB-NEGATIVE.mgf 3.06227 7 0 0.000854492 279.038 0 CCMSLIB00012855566 29 spectra_filtered.mgf *..* :24647 24647 -1 0 167.035 -1 0.885489 0 0 232.035 21026.5 Homogentisic acid [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf29 -1 MSNLIB-NEGATIVE.mgf 3.56268 6 0 0.000595093 167.034 0 CCMSLIB00012330171 178 spectra_filtered.mgf *..* :4383 4383 -1 0 174.041 -1 0.879871 0 0 189622000.0 14517.9 N-Acetyl-L-aspartic acid - 40.0 eV M-H BIRMINGHAM-UHPLC-MS-NEG temp/spectra_filtered.mgf178 -1 BIRMINGHAM-UHPLC-MS-NEG.mgf 4.20833 7 0 0.000732422 174.04 0 CCMSLIB00006123089 353 spectra_filtered.mgf *..* :25315 43778 -1 0 306.077 0 0.878737 0 0 336.908 5543.04 Glutathione [M-H]- MONA temp/spectra_filtered.mgf353 -1 MONA.mgf 2.49264 12 0 0.000762939 306.076 0 CCMSLIB00004716378 324 spectra_filtered.mgf *..* :30 476 -1 0 377.086 -1 0.875448 0 0 370565.0 8069.0 maltose CollisionEnergy:102040 M+Cl BERKELEY-LAB temp/spectra_filtered.mgf324 -1 BERKELEY-LAB.mgf 1.78046 12 0 0.000671387 377.085 0 CCMSLIB00010102464 372 spectra_filtered.mgf *..* :1841 51082 -1 0 503.162 -1 0.870831 0 0 520.0 9401.31 RAFFINOSE M-H MONA temp/spectra_filtered.mgf372 -1 MONA.mgf 1.7589 14 0 0.00088501 503.161 0 CCMSLIB00006680111 391 spectra_filtered.mgf *..* :35965 35965 -1 0 711.22 -1 0.867816 0 0 271.849 18501.3 maltotetraose [M+FA]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf391 -1 MSNLIB-NEGATIVE.mgf 0.34327 17 0 0.000244141 711.22 0 CCMSLIB00012352668 51 spectra_filtered.mgf *..* :12740 12740 -1 0 660.46 -1 0.865249 0 0 23379.4 21084.0 PE(14:0/16:1); [M-H]- C35H67N1O8P1 M-H PNNL-LIPIDS-NEGATIVE temp/spectra_filtered.mgf51 -1 PNNL-LIPIDS-NEGATIVE.mgf 0.739305 9 0 0.000488281 660.461 0 CCMSLIB00010081888 361 spectra_filtered.mgf *..* :36097 36097 -1 0 549.167 -1 0.86238 0 0 389.987 39641.9 maltotriose [M+FA]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf361 -1 MSNLIB-NEGATIVE.mgf 0.889131 16 0 0.000488281 549.167 0 CCMSLIB00012352928 382 spectra_filtered.mgf *..* :255 701 -1 0 503.162 -1 0.862345 0 0 1239020.0 17624.0 RAFFINOSE CollisionEnergy:102040 M-H BERKELEY-LAB temp/spectra_filtered.mgf382 -1 BERKELEY-LAB.mgf 1.69824 13 0 0.000854492 503.161 0 CCMSLIB00010102689 47 spectra_filtered.mgf *..* :1868 1868 -1 0 702.507 -1 0.860227 0 0 390210.0 5125.0 PE(15:0/18:1); [M-H]- C38H73N1O8P1 M-H PNNL-LIPIDS-NEGATIVE temp/spectra_filtered.mgf47 -1 PNNL-LIPIDS-NEGATIVE.mgf 0.868819 9 0 0.000610352 702.508 0 CCMSLIB00010061703 175 spectra_filtered.mgf *..* :52138 64137 -1 0 609.146 0 0.860225 0 0 130603.0 5369.96 Massbank:FIO00597 Rutin M-H MASSBANK temp/spectra_filtered.mgf175 -1 MASSBANK.mgf 1.00198 8 0 0.000610352 609.145 0 CCMSLIB00005777689 303 spectra_filtered.mgf *..* :1736 50977 -1 0 341.109 -1 0.852356 0 0 428.9 4408.44 MALTOSE M-H MONA temp/spectra_filtered.mgf303 -1 MONA.mgf 3.04184 9 0 0.0010376 341.108 0 CCMSLIB00006680006 148 spectra_filtered.mgf *..* :3440 473 -1 0 188.056 0 0.850355 0 0 113557000.0 11703.0 N-ACETYL-DL-GLUTAMIC ACID M-H GNPS-EMBL-MCF temp/spectra_filtered.mgf148 -1 GNPS-EMBL-MCF.mgf 0.730256 6 0 0.000137329 188.056 0 CCMSLIB00000578260 358 spectra_filtered.mgf *..* :389 835 -1 0 377.086 0 0.845838 0 0 508146.0 2435.0 melibiose CollisionEnergy:102040 M+Cl BERKELEY-LAB temp/spectra_filtered.mgf358 -1 BERKELEY-LAB.mgf 2.4279 9 0 0.000915527 377.085 0 CCMSLIB00010102823 130 spectra_filtered.mgf *..* :1168 11051 -1 0 863.204 -1 0.841141 0 0 369439.0 206219.0 Emodin-8-glucoside 2M-H GNPS-LIBRARY temp/spectra_filtered.mgf130 -1 GNPS-LIBRARY.mgf 49.4247 9 0 0.0426636 863.247 0 CCMSLIB00006716221 258 spectra_filtered.mgf *..* :22725 22725 -1 0 196.073 0 0.838746 0 0 216.2 11084.0 N-Acetyl-L-histidine [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf258 -1 MSNLIB-NEGATIVE.mgf 4.98061 6 0 0.000976562 196.072 0 CCMSLIB00012326359 134 spectra_filtered.mgf *..* :21346 33345 -1 0 425.165 -1 0.836751 0 0 954.0 32402.7 Massbank:PR308942 Pentose-Hexose + C5H9 M+HCOO MASSBANK temp/spectra_filtered.mgf134 -1 MASSBANK.mgf 2.22512 10 0 0.000946045 425.166 0 CCMSLIB00005746897 338 spectra_filtered.mgf *..* :30 476 -1 0 377.086 -1 0.833003 0 0 370565.0 8252.16 maltose CollisionEnergy:102040 M+Cl BERKELEY-LAB temp/spectra_filtered.mgf338 -1 BERKELEY-LAB.mgf 1.78046 12 0 0.000671387 377.085 0 CCMSLIB00010102464 180 spectra_filtered.mgf *..* :1952 321 -1 0 267.073 0 0.806158 0 0 13313200.0 8712.0 INOSINE M-H GNPS-EMBL-MCF temp/spectra_filtered.mgf180 -1 GNPS-EMBL-MCF.mgf 2.3996 6 0 0.000640869 267.072 0 CCMSLIB00000578104 384 spectra_filtered.mgf *..* :36097 36097 -1 0 549.167 -1 0.800184 0 0 389.987 58189.0 maltotriose [M+FA]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf384 -1 MSNLIB-NEGATIVE.mgf 0.555707 16 0 0.000305176 549.167 0 CCMSLIB00012352928 195 spectra_filtered.mgf *..* :3468 21931 -1 0 203.083 0 0.787777 0 0 177.425 3915.0 TRYPTOPHAN [M-H]- MONA temp/spectra_filtered.mgf195 -1 MONA.mgf 4.65842 6 0 0.000946045 203.082 0 CCMSLIB00004694531 351 spectra_filtered.mgf *..* :389 835 -1 0 377.086 -1 0.783159 0 0 508146.0 2816.0 melibiose CollisionEnergy:102040 M+Cl BERKELEY-LAB temp/spectra_filtered.mgf351 -1 BERKELEY-LAB.mgf 2.02325 8 0 0.000762939 377.085 0 CCMSLIB00010102823 171 spectra_filtered.mgf *..* :2186 2186 -1 0 595.288 -1 0.780086 0 0 47378.2 23998.1 PI(18:2/0:0); [M-H]- C27H48O12P1 M-H PNNL-LIPIDS-NEGATIVE temp/spectra_filtered.mgf171 -1 PNNL-LIPIDS-NEGATIVE.mgf 0.0 11 0 0.0 595.288 0 CCMSLIB00010062186 371 spectra_filtered.mgf *..* :36097 36097 -1 0 549.167 -1 0.750515 0 0 389.987 76568.0 maltotriose [M+FA]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf371 -1 MSNLIB-NEGATIVE.mgf 0.555707 15 0 0.000305176 549.167 0 CCMSLIB00012352928 66 spectra_filtered.mgf *..* :13602 25601 -1 0 566.345 -1 0.749746 0 0 1214.0 3811.0 Massbank:PR309160 LPC 18:1 M+HCOO MASSBANK temp/spectra_filtered.mgf66 -1 MASSBANK.mgf 1.50878 7 0 0.000854492 566.346 0 CCMSLIB00005739153 284 spectra_filtered.mgf *..* :1726 50967 -1 0 341.109 -1 0.741809 0 0 387.1 4385.5 SUCROSE M-H MONA temp/spectra_filtered.mgf284 -1 MONA.mgf 2.68397 8 0 0.000915527 341.108 0 CCMSLIB00006679996 116 spectra_filtered.mgf *..* :3733 22196 -1 0 299.114 -1 0.727682 0 0 269.8 9439.15 rhodioloside [M-H]- MONA temp/spectra_filtered.mgf116 -1 MONA.mgf 125.901 9 0 0.0376587 299.076 0 CCMSLIB00004694796 390 spectra_filtered.mgf *..* :64112 141063 -1 0 154.062 -1 0.724614 0 0 96.481 19397.9 L-histidine [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf390 -1 MSNLIB-NEGATIVE.mgf 1.68373 6 0 0.000259399 154.062 0 CCMSLIB00012859217 322 spectra_filtered.mgf *..* :483 237 -1 0 683.225 -1 0.722857 0 0 35523100.0 65000.9 PALATINOSE 2M-H LEAFBOT temp/spectra_filtered.mgf322 -1 LEAFBOT.mgf 0.357336 11 0 0.000244141 683.225 0 CCMSLIB00011428009 153 spectra_filtered.mgf *..* :32347 32347 -1 0 389.109 0 0.722541 0 0 626.021 1404.0 Deacetylasperulosidic acid [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf153 -1 MSNLIB-NEGATIVE.mgf 2.74503 10 0 0.00106812 389.108 0 CCMSLIB00012345519 308 spectra_filtered.mgf *..* :483 237 -1 0 683.225 -1 0.719242 0 0 35523100.0 12884.9 PALATINOSE 2M-H LEAFBOT temp/spectra_filtered.mgf308 -1 LEAFBOT.mgf 0.357336 10 0 0.000244141 683.225 0 CCMSLIB00011428009 406 spectra_filtered.mgf *..* :123 123 -1 0 195.051 0 0.718177 0 0 26371200.0 4289.1 1726059 - 40.0 eV M-H BIRMINGHAM-UHPLC-MS-NEG temp/spectra_filtered.mgf406 -1 BIRMINGHAM-UHPLC-MS-NEG.mgf 2.81627 8 0 0.000549316 195.05 0 CCMSLIB00006112686 99 spectra_filtered.mgf *..* :520 520 -1 0 450.262 -1 0.710435 0 0 1078010.0 26847.3 PE(16:1/0:0); [M-H]- C21H41N1O7P1 M-H PNNL-LIPIDS-NEGATIVE temp/spectra_filtered.mgf99 -1 PNNL-LIPIDS-NEGATIVE.mgf 0.745551 7 0 0.000335693 450.262 0 CCMSLIB00010059800 157 spectra_filtered.mgf *..* :66499 66499 -1 0 224.056 -1 0.709485 0 0 220.496 46900.5 Madurastatin B2 [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf157 -1 MSNLIB-NEGATIVE.mgf 0.681026 6 0 0.000152588 224.056 0 CCMSLIB00012413488 365 spectra_filtered.mgf *..* :36783 36783 -1 0 337.078 -1 0.705907 0 0 53.064 10793.6 129499-78-1 [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf365 -1 MSNLIB-NEGATIVE.mgf 2.89714 7 0 0.000976562 337.077 0 CCMSLIB00012354266 170 spectra_filtered.mgf *..* :9026 9026 -1 0 597.304 -1 0.691642 0 0 7482.42 16966.8 PI(18:1/0:0); [M-H]- C27H50O12P1 M-H PNNL-LIPIDS-NEGATIVE temp/spectra_filtered.mgf170 -1 PNNL-LIPIDS-NEGATIVE.mgf 0.613106 10 0 0.000366211 597.304 0 CCMSLIB00010074856 388 spectra_filtered.mgf *..* :35960 35960 -1 0 665.215 -1 0.687968 0 0 225.61 11365.9 maltotetraose [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf388 -1 MSNLIB-NEGATIVE.mgf 1.00928 6 0 0.000671387 665.214 0 CCMSLIB00012352657 154 spectra_filtered.mgf *..* :1329 5040 -1 0 181.071 0 0.686818 0 0 36878.8 4982.68 Spectral Match to Dulcitol from NIST14 M-H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf154 -1 GNPS-NIST14-MATCHES.mgf 1.09551 6 0 0.000198364 181.071 0 CCMSLIB00003139527 369 spectra_filtered.mgf *..* :13841 13841 -1 0 539.138 -1 0.685535 0 0 398.33 7074.6 Melezitose [M+Cl]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf369 -1 MSNLIB-NEGATIVE.mgf 0.452835 11 0 0.000244141 539.138 0 CCMSLIB00012309517 363 spectra_filtered.mgf *..* :6824 6822 -1 0 503.161 0 0.685452 0 0 4512.0 4199.61 ReSpect:PT205480 Maltotriose|Amylotriose|alpha-1,4-Glucotriose|Triomaltose|O-alpha-D-glucopyranosyl-O-alpha-D-glucopyranosyl-D-glucose|(Glc(alpha1-4)Glc(alpha1-4)Glc)|(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy [M+H] RESPECT temp/spectra_filtered.mgf363 -1 RESPECT.mgf 0.0 12 0 0.0 503.161 0 CCMSLIB00000222192 394 spectra_filtered.mgf *..* :35960 35960 -1 0 665.215 0 0.675114 0 0 225.61 6280.64 maltotetraose [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf394 -1 MSNLIB-NEGATIVE.mgf 0.825773 6 0 0.000549316 665.214 0 CCMSLIB00012352657 98 spectra_filtered.mgf *..* :520 520 -1 0 450.262 -1 0.657507 0 0 1078010.0 38309.2 PE(16:1/0:0); [M-H]- C21H41N1O7P1 M-H PNNL-LIPIDS-NEGATIVE temp/spectra_filtered.mgf98 -1 PNNL-LIPIDS-NEGATIVE.mgf 1.69443 7 0 0.000762939 450.263 0 CCMSLIB00010059800 392 spectra_filtered.mgf *..* :35960 35960 -1 0 665.215 0 0.610814 0 0 225.61 4234.93 maltotetraose [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf392 -1 MSNLIB-NEGATIVE.mgf 0.550515 6 0 0.000366211 665.215 0 CCMSLIB00012352657 229 spectra_filtered.mgf *..* :51145 51145 -1 0 415.142 -1 0.602909 0 0 153.915 476670.0 CHEMBL1513915 [M+H]+ MSNLIB-POSITIVE temp/spectra_filtered.mgf229 -1 MSNLIB-POSITIVE.mgf 79.9802 6 0 0.0332031 415.109 0 CCMSLIB00012370181 133 spectra_filtered.mgf *..* :64430 141381 -1 0 379.101 -1 0.602419 0 0 443.336 2591.0 lactitol [M+Cl]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf133 -1 MSNLIB-NEGATIVE.mgf 156.814 7 0 0.0594482 379.16 0 CCMSLIB00012859839 nf_output/MASSBANKEU.mgf.tsv0000644000000000000000000000000114767266351014546 0ustar rootroot nf_output/HCE-CELL-LYSATE-LIPIDS.mgf.tsv0000644000000000000000000000000114767266356016217 0ustar rootroot nf_output/DEREPLICATOR_IDENTIFIED_LIBRARY.mgf.tsv0000644000000000000000000000000114767266351017642 0ustar rootroot nf_output/GNPS-NIH-CLINICALCOLLECTION2.mgf.tsv0000644000000000000000000000000114767266356017117 0ustar rootroot nf_output/DMIM-DRUG-METABOLITE-LIBRARY.mgf.tsv0000644000000000000000000000000114767266363017132 0ustar rootroot nf_output/GNPS-NUTRI-METAB-FEM-POS.mgf.tsv0000644000000000000000000000000114767266356016462 0ustar rootroot nf_resume_cmd.sh0000644000000000000000000000121114767266337012736 0ustar rootrootnextflow run /app/workflows_user/feature_based_molecular_networking_workflow/nf_workflow.nf -params-file /data/nf_data/server/nf_tasks/b947d7e448bf4954b6cb0eef4076fe8c/job_parameters.yaml -w /data/nf_data/server/nf_work/b947d7e448bf4954b6cb0eef4076fe8c -with-report /data/nf_data/server/nf_tasks/b947d7e448bf4954b6cb0eef4076fe8c/job_report.html -with-timeline /data/nf_data/server/nf_tasks/b947d7e448bf4954b6cb0eef4076fe8c/job_timeline.html -with-dag /data/nf_data/server/nf_tasks/b947d7e448bf4954b6cb0eef4076fe8c/job_dag.html -resume -with-weblog http://localhost:4000/nf_weblog/b947d7e448bf4954b6cb0eef4076fe8c -c /app/launchserver/nextflow.configsubmission_parameters.yaml0000644000000000000000000000202414767266337015101 0ustar rootrootcreate_time: 2025-03-21 06:37:38 PDT-0700 description: FBMN_mapp_batch_00154 featurefindingtool: MZMINE fragment_tolerance: '0.1' input_libraries: LIBRARYLOCATION/LC/LIBRARY input_raw_spectra: '' input_supplemental_edges: '' inputfeatures: USERUPLOAD/pmallard/MAPP/mapp_project_00055/mapp_batch_00154/mapp_batch_00154_quant.csv inputspectra: USERUPLOAD/pmallard/MAPP/mapp_project_00055/mapp_batch_00154/mapp_batch_00154.mgf library_analog_max_shift: '1999' library_analog_search: '0' library_min_cosine: '0.6' library_min_matched_peaks: '6' library_topk: '1' metadata_filename: USERUPLOAD/pmallard/MAPP/mapp_project_00055/mapp_batch_00154/mapp_batch_00154_metadata.tsv networking_max_shift: '1999' networking_min_cosine: '0.7' networking_min_matched_peaks: '6' normalization: None pm_tolerance: '0.1' precursor_filter: '1' task: b947d7e448bf4954b6cb0eef4076fe8c topology_maxcomponent: '100' topology_topk: '10' window_filter: '1' workflow_version: SERVER:2025.02.12;WORKFLOW:2025.01.24 workflowname: feature_based_molecular_networking_workflow workflowdisplay.yaml0000644000000000000000000003040214767266337013724 0ustar rootrootname: feature_based_molecular_networking_workflow displayname: STUFF Views: - name: Cluster Summary displayname: Cluster Summary viewname: clustersummary displaytype: datatable parameters: filename: nf_output/networking/clustersummary_with_network.tsv columns: - title: "View" data: - title: "Cluster" data: "cluster index" - title: "Parent mass" data: "parent mass" - title: "Compound_Name" data: "Compound_Name" columnDefs: '[ {"targets": 0,"data": null,"render": function ( data, type, row, meta ) { return ` View Spectrum
View Box Plot `;}}]' - name: Library Results displayname: Library Results viewname: librarymatches displaytype: datatable parameters: filename: nf_output/library/merged_results_with_gnps.tsv columns: - title: "View" data: - title: "#Scan#" data: "#Scan#" - title: "Compound_Name" data: "Compound_Name" - title: "Ion" data: Ion_Source - title: "Adduct" data: Adduct - title: "Library" data: Organism - title: "Precursor m/z" data: SpecMZ - title: "Cosine" data: MQScore - title: "Shared Peaks" data: SharedPeaks - title: "MassDiff" data: MassDiff - title: "SpectrumID" data: SpectrumID - title: "Smiles" data: Smiles columnDefs: '[ {"targets": 0,"data": null,"render": function ( data, type, row, meta ) { return ` View Mirror `;}}, {"targets": 11,"data": null,"render": function ( data, type, row, meta ) { return ` `;}},]' - name: Files Summary displayname: Files Summary viewname: filesummary displaytype: datatable parameters: filename: nf_output/filesummary/summaryresult.tsv columns: - title: "Visualize" data: - title: "Filename" data: "Filename" - title: "Vendor" data: "Vendor" - title: "Model" data: "Model" - title: "MS1s" data: "MS1s" - title: "MS2s" data: "MS2s" columnDefs: '[ {"targets": 0,"data": null,"render": function ( data, type, row, meta ) { return ` View LCMS Run `;}}]' - name: Network Pairs List displayname: Pairs List viewname: pairslist displaytype: datatable_serverbig parameters: filename: nf_output/networking/filtered_pairs.tsv columns: - title: "View" data: - title: "CLUSTERID1" data: CLUSTERID1 - title: "CLUSTERID2" data: CLUSTERID2 - title: "DeltaMZ" data: DeltaMZ - title: "DeltaMZ" data: DeltaMZ - title: "Cosine" data: Cosine - title: "MatchedPeaks" data: MatchedPeaks columnDefs: '[ {"targets": 0,"data": null,"render": function ( data, type, row, meta ) { return ` View Mirror `;}}]' - name: Network Unfiltered Pairs List displayname: Pairs Unfiltered List viewname: unfilteredpairslist displaytype: datatable_serverbig parameters: filename: nf_output/networking/merged_pairs.tsv columns: - title: "View" data: - title: "CLUSTERID1" data: CLUSTERID1 - title: "CLUSTERID2" data: CLUSTERID2 - title: "DeltaMZ" data: DeltaMZ - title: "DeltaMZ" data: DeltaMZ - title: "Cosine" data: Cosine - title: "MatchedPeaks" data: MatchedPeaks columnDefs: '[ {"targets": 0,"data": null,"render": function ( data, type, row, meta ) { return ` View Mirror `;}}]' # Creating all features tall table - name: All Quantification Features displayname: All Quantification Features viewname: allfeaturestall displaytype: datatable_serverbig parameters: filename: nf_output/clustering/tall_raw_data.tsv columns: - title: "View" data: - title: "Feature ID" data: "row ID" - title: "filename" data: filename - title: "area" data: area - title: "m/z" data: "row m/z" - title: "rt" data: "row retention time" - title: "Has Raw Data" data: raw_data columnDefs: '[ {"targets": 0,"data": null,"render": function ( data, type, row, meta ) { // If raw data is 1, then lets link, otherwise no link if(row["raw_data"] == 1) { return ` View LCMS Run `; } else { return `No Original mzML Data`; } }}]' - name: section displayname: Network Visualizations viewname: section displaytype: section - name: Visualize Network in Browser displayname: Visualize Full Network in Browser viewname: visualizefullnetwork displaytype: linkout parameters: baseurl: /dashboards/networkviewer urlparam: - usi:mzdata:GNPS2:TASK-[task]-nf_output/networking/network.graphml - usi-mgf:mzdata:GNPS2:TASK-[task]-nf_output/clustering/spectra_reformatted.mgf - name: Visualize Network w/ Singletons in Browser displayname: Visualize Full Network w/ Singletons in Browser viewname: visualizefullsingletonnetwork displaytype: linkout parameters: baseurl: /dashboards/networkviewer urlparam: - usi:mzdata:GNPS2:TASK-[task]-nf_output/networking/network_singletons.graphml - usi-mgf:mzdata:GNPS2:TASK-[task]-nf_output/clustering/spectra_reformatted.mgf - name: Export Network in Cytoscape displayname: Export Network in Cytoscape viewname: visualizecytoscape displaytype: linkout parameters: baseurl: https://cytoscape.gnps2.org/process urlparam: - task:[task] - name: Export Network in Cytoscape with Singletons displayname: Export Network in Cytoscape with Singletons viewname: visualizecytoscapesingleton displaytype: linkout parameters: baseurl: https://cytoscape.gnps2.org/process urlparam: - task:[task] - override_path:nf_output/networking/network_singletons.graphml - name: section displayname: Download Network Files viewname: section displaytype: section - name: Download Network GraphML displayname: Download Network GraphML viewname: graphml displaytype: download parameters: filename: nf_output/networking/network.graphml - name: Download Network with Singletons GraphML displayname: Download Network with Singletons GraphML viewname: graphmlsingletons displaytype: download parameters: filename: nf_output/networking/network_singletons.graphml - name: Download Consensus MS/MS MGF displayname: Download Consensus MS/MS MGF viewname: specms displaytype: download parameters: filename: nf_output/clustering/spectra_reformatted.mgf - name: Download Quantification File displayname: Download Quantification File viewname: quantificationdownload displaytype: download parameters: filename: nf_output/clustering/featuretable_reformated.csv - name: section displayname: Downstream Analysis viewname: section displaytype: section - name: Downstream Analysis - Run Chemwalker Analysis displayname: Downstream Analysis - Run Chemwalker Analysis viewname: downstreamchemwalker displaytype: linkout parameters: baseurl: /workflowinput urlparam: - workflowname:chemwalker_nextflow_workflow hashparam: - taskid:[task] - workflow:GNPS2 - description:Downstream from [task] Feature Based Molecular Networking - name: Downstream Analysis - Hitchhiker Statistics Guide displayname: Downstream Analysis - Hitchhiker Statistics Guide viewname: downstreamhitchhiker displaytype: linkout parameters: baseurl: https://fbmn-statsguide.gnps2.org/Data_Preparation - name: Downstream Analysis - Run Transitive Alignments displayname: Downstream Analysis - Run Transitive Alignments viewname: downstreamtransitive displaytype: linkout parameters: baseurl: /workflowinput urlparam: - workflowname:Transitive_alignment_workflow hashparam: - input_graphml:TASKLOCATION/[task]/nf_output/networking/network_singletons.graphml - input_pairs:TASKLOCATION/[task]/nf_output/networking/merged_pairs.tsv - input_spectra:TASKLOCATION/[task]/nf_output/clustering/spectra_reformatted.mgf - description:Downstream from [task] Feature Based Molecular Networking - name: Downstream Analysis - Overlay Custom Network displayname: Downstream Analysis - Overlay Custom Network viewname: downstreamoverlay displaytype: linkout parameters: baseurl: /workflowinput urlparam: - workflowname:gnps2_network_overlay_workflow hashparam: - input_graphml:TASKLOCATION/[task]/nf_output/networking/network_singletons.graphml - input_mgf:TASKLOCATION/[task]/nf_output/clustering/spectra_reformatted.mgf - description:Downstream from [task] Feature Based Molecular Networking # CMMC Linkouts - name: Downstream Analysis - CMMC Enrichment Analysis displayname: Downstream Analysis - CMMC Enrichment Analysis viewname: downstreamcmmc displaytype: linkout parameters: baseurl: /workflowinput urlparam: - workflowname:cmmc_gnps_network_enrichment_workflow hashparam: - gnps2_graphml:TASKLOCATION/[task]/nf_output/networking/network_singletons.graphml - gnps2_mgf:TASKLOCATION/[task]/nf_output/clustering/spectra_reformatted.mgf - datasource:GNPS2 - description:Downstream from [task] Feature Based Molecular Networking