flow_filelinking.yaml0000644000000000000000000001247514777454521014013 0ustar rootroot- parameter: inputfeatures target: inputfeatures/mzmine_methanogens_150425_quant.csv - parameter: inputspectra target: inputspectra/mzmine_methanogens_150425.mgf - 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/WINE-DB-ORBITRAP.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/WINE-DB-QTOF.mgf - parameter: input_libraries target: input_libraries/3-HYDROXY-ACYL-AMIDES-LIBRARY.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/0000755000000000000000000000000014777454521012767 5ustar rootrootinput_libraries/BILELIB19.mgf0000777000000000000000000000000014777454520030220 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/BILELIB19.mgfustar rootrootinput_libraries/WINE-DB-QTOF.mgf0000777000000000000000000000000014777454520031160 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/WINE-DB-QTOF.mgfustar rootrootinput_libraries/BMDMS-NP.mgf0000777000000000000000000000000014777454520030122 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/BMDMS-NP.mgfustar rootrootinput_libraries/AASDB.mgf0000777000000000000000000000000014777454520027214 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/AASDB.mgfustar rootrootinput_libraries/HMDB.mgf0000777000000000000000000000000014777454520027014 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/HMDB.mgfustar rootrootinput_libraries/HCE-CELL-LYSATE-LIPIDS.mgf0000777000000000000000000000000014777454520033762 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/HCE-CELL-LYSATE-LIPIDS.mgfustar rootrootinput_libraries/CASMI.mgf0000777000000000000000000000000014777454520027260 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/CASMI.mgfustar rootrootinput_libraries/LDB_NEGATIVE.mgf0000777000000000000000000000000014777454520031336 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/LDB_NEGATIVE.mgfustar rootrootinput_libraries/NEO-MSMS.mgf0000777000000000000000000000000014777454520030164 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/NEO-MSMS.mgfustar rootrootinput_libraries/PSU-MSMLS.mgf0000777000000000000000000000000014777454520030470 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/PSU-MSMLS.mgfustar rootrootinput_libraries/GNPS-NIST14-MATCHES.mgf0000777000000000000000000000000014777454520033112 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIST14-MATCHES.mgfustar rootrootinput_libraries/GNPS-COLLECTIONS-MISC.mgf0000777000000000000000000000000014777454520033720 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-COLLECTIONS-MISC.mgfustar rootrootinput_libraries/BERKELEY-LAB.mgf0000777000000000000000000000000014777454520031164 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/BERKELEY-LAB.mgfustar rootrootinput_libraries/GNPS-FAULKNERLEGACY.mgf0000777000000000000000000000000014777454520033272 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-FAULKNERLEGACY.mgfustar rootrootinput_libraries/ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf0000777000000000000000000000000014777454520035530 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgfustar rootrootinput_libraries/MASSBANK.mgf0000777000000000000000000000000014777454520030166 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MASSBANK.mgfustar rootrootinput_libraries/RESPECT.mgf0000777000000000000000000000000014777454520030002 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/RESPECT.mgfustar rootrootinput_libraries/GNPS-NIH-CLINICALCOLLECTION2.mgf0000777000000000000000000000000014777454520035562 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-CLINICALCOLLECTION2.mgfustar rootrootinput_libraries/PHENOLICSDB.mgf0000777000000000000000000000000014777454520031054 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/PHENOLICSDB.mgfustar rootrootinput_libraries/GNPS-LIBRARY.mgf0000777000000000000000000000000014777454520031312 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-LIBRARY.mgfustar rootrootinput_libraries/MIADB.mgf0000777000000000000000000000000014777454520027220 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MIADB.mgfustar rootrootinput_libraries/GNPS-PRESTWICKPHYTOCHEM.mgf0000777000000000000000000000000014777454520034572 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-PRESTWICKPHYTOCHEM.mgfustar rootrootinput_libraries/IQAMDB.mgf0000777000000000000000000000000014777454520027462 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/IQAMDB.mgfustar rootrootinput_libraries/TUEBINGEN-NATURAL-PRODUCT-COLLECTION.mgf0000777000000000000000000000000014777454520040156 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/TUEBINGEN-NATURAL-PRODUCT-COLLECTION.mgfustar rootrootinput_libraries/GNPS-SELLECKCHEM-FDA-PART1.mgf0000777000000000000000000000000014777454520034772 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-SELLECKCHEM-FDA-PART1.mgfustar rootrootinput_libraries/MCE-DRUG.mgf0000777000000000000000000000000014777454520030076 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MCE-DRUG.mgfustar rootrootinput_libraries/GNPS-MSMLS.mgf0000777000000000000000000000000014777454520030670 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-MSMLS.mgfustar rootrootinput_libraries/DRUGS-OF-ABUSE-LIBRARY.mgf0000777000000000000000000000000014777454520034042 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/DRUGS-OF-ABUSE-LIBRARY.mgfustar rootrootinput_libraries/GNPS-EMBL-MCF.mgf0000777000000000000000000000000014777454520031346 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-EMBL-MCF.mgfustar rootrootinput_libraries/LDB_POSITIVE.mgf0000777000000000000000000000000014777454520031436 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/LDB_POSITIVE.mgfustar rootrootinput_libraries/GNPS-SAM-SIK-KANG-LEGACY-LIBRARY.mgf0000777000000000000000000000000014777454520036556 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-SAM-SIK-KANG-LEGACY-LIBRARY.mgfustar rootrootinput_libraries/LEAFBOT.mgf0000777000000000000000000000000014777454520027720 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/LEAFBOT.mgfustar rootrootinput_libraries/ECG-ACYL-ESTERS-C4-C24-LIBRARY.mgf0000777000000000000000000000000014777454520035636 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/ECG-ACYL-ESTERS-C4-C24-LIBRARY.mgfustar rootrootinput_libraries/GNPS-IOBA-NHC.mgf0000777000000000000000000000000014777454520031342 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-IOBA-NHC.mgfustar rootrootinput_libraries/MMV_NEGATIVE.mgf0000777000000000000000000000000014777454520031432 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MMV_NEGATIVE.mgfustar rootrootinput_libraries/GNPS-SELLECKCHEM-FDA-PART2.mgf0000777000000000000000000000000014777454520034774 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-SELLECKCHEM-FDA-PART2.mgfustar rootrootinput_libraries/MSNLIB-NEGATIVE.mgf0000777000000000000000000000000014777454520032140 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MSNLIB-NEGATIVE.mgfustar rootrootinput_libraries/GNPS-D2-AMINO-LIPID-LIBRARY.mgf0000777000000000000000000000000014777454520035220 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-D2-AMINO-LIPID-LIBRARY.mgfustar rootrootinput_libraries/GNPS-N-ACYL-LIPIDS-MASSQL.mgf0000777000000000000000000000000014777454520034710 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-N-ACYL-LIPIDS-MASSQL.mgfustar rootrootinput_libraries/GNPS-SCIEX-LIBRARY.mgf0000777000000000000000000000000014777454521033035 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-SCIEX-LIBRARY.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.mgf0000777000000000000000000000000014777454520042741 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVustar rootrootinput_libraries/ECRFS_DB.mgf0000777000000000000000000000000014777454520030206 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/ECRFS_DB.mgfustar rootrootinput_libraries/BIRMINGHAM-UHPLC-MS-NEG.mgf0000777000000000000000000000000014777454520034214 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/BIRMINGHAM-UHPLC-MS-NEG.mgfustar rootrootinput_libraries/XANTHONES-DB.mgf0000777000000000000000000000000014777454520031254 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/XANTHONES-DB.mgfustar rootrootinput_libraries/GNPS-NIH-NATURALPRODUCTSLIBRARY.mgf0000777000000000000000000000000014777454520036770 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-NATURALPRODUCTSLIBRARY.mgfustar rootrootinput_libraries/PNNL-LIPIDS-NEGATIVE.mgf0000777000000000000000000000000014777454520033452 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/PNNL-LIPIDS-NEGATIVE.mgfustar rootrootinput_libraries/WINE-DB-ORBITRAP.mgf0000777000000000000000000000000014777454520032302 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/WINE-DB-ORBITRAP.mgfustar rootrootinput_libraries/DEREPLICATOR_IDENTIFIED_LIBRARY.mgf0000777000000000000000000000000014777454520037042 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/DEREPLICATOR_IDENTIFIED_LIBRARY.mgfustar rootrootinput_libraries/GNPS-NIH-CLINICALCOLLECTION1.mgf0000777000000000000000000000000014777454520035560 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-CLINICALCOLLECTION1.mgfustar rootrootinput_libraries/MASSBANKEU.mgf0000777000000000000000000000000014777454520030652 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MASSBANKEU.mgfustar rootrootinput_libraries/GNPS-COLLECTIONS-PESTICIDES-POSITIVE.mgf0000777000000000000000000000000014777454520040222 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-COLLECTIONS-PESTICIDES-POSITIVE.mgfustar rootrootinput_libraries/GNPS-NUTRI-METAB-FEM-POS.mgf0000777000000000000000000000000014777454520034470 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NUTRI-METAB-FEM-POS.mgfustar rootrootinput_libraries/UM-NPDC.mgf0000777000000000000000000000000014777454520027676 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/UM-NPDC.mgfustar rootrootinput_libraries/GNPS-NUTRI-METAB-FEM-NEG.mgf0000777000000000000000000000000014777454520034410 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NUTRI-METAB-FEM-NEG.mgfustar rootrootinput_libraries/MONA.mgf0000777000000000000000000000000014777454520027054 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MONA.mgfustar rootrootinput_libraries/MMV_POSITIVE.mgf0000777000000000000000000000000014777454520031532 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MMV_POSITIVE.mgfustar rootrootinput_libraries/MSNLIB-POSITIVE.mgf0000777000000000000000000000000014777454520032240 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MSNLIB-POSITIVE.mgfustar rootrootinput_libraries/ELIXDB-LICHEN-DATABASE.mgf0000777000000000000000000000000014777454520033712 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/ELIXDB-LICHEN-DATABASE.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.mgf0000777000000000000000000000000014777454520043041 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVustar rootrootinput_libraries/BIRMINGHAM-UHPLC-MS-POS.mgf0000777000000000000000000000000014777454520034274 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/BIRMINGHAM-UHPLC-MS-POS.mgfustar rootrootinput_libraries/GNPS-COLLECTIONS-PESTICIDES-NEGATIVE.mgf0000777000000000000000000000000014777454520040122 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-COLLECTIONS-PESTICIDES-NEGATIVE.mgfustar rootrootinput_libraries/CMMC-FOOD-BIOMARKERS.mgf0000777000000000000000000000000014777454520033370 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/CMMC-FOOD-BIOMARKERS.mgfustar rootrootinput_libraries/DMIM-DRUG-METABOLITE-LIBRARY.mgf0000777000000000000000000000000014777454520035614 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/DMIM-DRUG-METABOLITE-LIBRARY.mgfustar rootrootinput_libraries/3-HYDROXY-ACYL-AMIDES-LIBRARY.mgf0000777000000000000000000000000014777454520035764 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/3-HYDROXY-ACYL-AMIDES-LIBRARY.mgfustar rootrootinput_libraries/PNNL-LIPIDS-POSITIVE.mgf0000777000000000000000000000000014777454520033552 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/PNNL-LIPIDS-POSITIVE.mgfustar rootrootinput_libraries/SUMNER.mgf0000777000000000000000000000000014777454520027612 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/SUMNER.mgfustar rootroot././@LongLink0000644000000000000000000000015000000000000011576 Kustar rootroot/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE.mgfinput_libraries/GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE.mgf0000777000000000000000000000000014777454520042152 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE.ustar rootrootinput_raw_spectra/0000755000000000000000000000000014777454521013325 5ustar rootrootinput_supplemental_edges/0000755000000000000000000000000014777454521014673 5ustar rootrootinputfeatures/0000755000000000000000000000000014777454520012471 5ustar rootrootinputfeatures/mzmine_methanogens_150425_quant.csv0000777000000000000000000000000014777454520037530 2/data/nf_data/useruploads/mizrahilab/Omar/mzmine_methanogens_150425_quant.csvustar rootrootinputspectra/0000755000000000000000000000000014777454520012314 5ustar rootrootinputspectra/mzmine_methanogens_150425.mgf0000777000000000000000000000000014777454520034667 2/data/nf_data/useruploads/mizrahilab/Omar/mzmine_methanogens_150425.mgfustar rootrootjob_dag.html0000644000000000000000000000460114777455246012055 0ustar rootroot 
flowchart TB
    subgraph " "
    v0["Channel.fromPath"]
    v1["ready"]
    v4["Channel.fromPath"]
    v5["Channel.fromPath"]
    v9["Channel.fromPath"]
    v24["Channel.of"]
    v28["Channel.fromPath"]
    end
    v2([filesummary])
    subgraph " "
    v3[" "]
    v8["_spectra_reformatted_ch2"]
    v30[" "]
    v31[" "]
    v33[" "]
    end
    v6([quantification_table_reformatted])
    v7([filter_spectra])
    v10([librarySearchData])
    v12([librarymergeResults])
    v14([summaryLibrary])
    v17([librarygetGNPSAnnotations])
    v19([networkingGNPSPrepParams])
    v21([calculatePairs])
    v23([filterNetwork])
    v25([createMetadataFile])
    v26([calculateGroupings])
    v27([enrichClusterSummary])
    v29([createNetworkGraphML])
    v32([createTallRawData])
    v11(( ))
    v13(( ))
    v15(( ))
    v18(( ))
    v20(( ))
    v22(( ))
    v0 --> v2
    v0 --> v32
    v1 --> v2
    v2 --> v3
    v4 --> v6
    v5 --> v6
    v6 --> v7
    v6 --> v26
    v6 --> v32
    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 --> v27
    v23 --> v29
    v24 --> v25
    v25 --> v26
    v26 --> v27
    v18 --> v27
    v27 --> v29
    v28 --> v29
    v18 --> v29
    v29 --> v31
    v29 --> v30
    v32 --> v33
job_parameters.yaml0000644000000000000000000000251514777454521013460 0ustar rootrootOMETAFLOW_SERVER: http://ometaflow-launchserver:4000 OMETALIBRARY_SERVER: http://ometalibrary-web:5000/library OMETAMASST_SERVER: http://ometamasst-web:5000/masst OMETATASK: 08fc6a38fcea479e9bd23b9ff64458e7 OMETAUSER: mizrahilab create_time: 2025-04-15 06:05:57 PDT-0700 description: methanogens_genomes_project_2025 featurefindingtool: MZMINE fragment_tolerance: '0.5' input_libraries: /data/nf_data/server/nf_tasks/08fc6a38fcea479e9bd23b9ff64458e7/input_libraries input_raw_spectra: NO_FILE input_supplemental_edges: NO_FILE inputfeatures: /data/nf_data/server/nf_tasks/08fc6a38fcea479e9bd23b9ff64458e7/inputfeatures/mzmine_methanogens_150425_quant.csv inputspectra: /data/nf_data/server/nf_tasks/08fc6a38fcea479e9bd23b9ff64458e7/inputspectra library_analog_max_shift: '1999' library_analog_search: '0' library_min_cosine: '0.7' library_min_matched_peaks: '6' library_topk: '1' metadata_filename: NO_FILE networking_max_shift: '1999' networking_min_cosine: '0.7' networking_min_matched_peaks: '6' normalization: None pm_tolerance: '2.0' precursor_filter: '1' publishdir: /data/nf_data/server/nf_tasks/08fc6a38fcea479e9bd23b9ff64458e7 task: 08fc6a38fcea479e9bd23b9ff64458e7 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.html0000644000000000000000001400712014777455246012641 0ustar rootroot [pensive_woese] Nextflow Workflow Report

Nextflow workflow report

[pensive_woese]

Workflow execution completed successfully!
Run times
15-Apr-2025 13:06:03 - 15-Apr-2025 13:11:39 (duration: 5m 36s)
  147 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/08fc6a38fcea479e9bd23b9ff64458e7/job_parameters.yaml -w /data/nf_data/server/nf_work/08fc6a38fcea479e9bd23b9ff64458e7 -with-report /data/nf_data/server/nf_tasks/08fc6a38fcea479e9bd23b9ff64458e7/job_report.html -with-timeline /data/nf_data/server/nf_tasks/08fc6a38fcea479e9bd23b9ff64458e7/job_timeline.html -with-dag /data/nf_data/server/nf_tasks/08fc6a38fcea479e9bd23b9ff64458e7/job_dag.html -with-weblog 'http://localhost:4000/nf_weblog/08fc6a38fcea479e9bd23b9ff64458e7' -c /app/launchserver/nextflow_slurm.config
CPU-Hours
0.3
Launch directory
/data/nf_data/server/nf_tasks/08fc6a38fcea479e9bd23b9ff64458e7
Work directory
/data/nf_data/server/nf_work/08fc6a38fcea479e9bd23b9ff64458e7
Project directory
/app/workflows_user/feature_based_molecular_networking_workflow
Script name
nf_workflow.nf
Script ID
b2294b5da7da718e7287b0a5638fc910
Workflow session
6d454c32-5a99-4757-82b5-c8862c2da97a
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.html0000644000000000000000000107407314777455246013143 0ustar rootroot

Processes execution timeline

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

metadata_filename/0000755000000000000000000000000014777454520013213 5ustar rootrootnextflow_stdout.log0000644000000000000000000010261014777455246013554 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` [pensive_woese] DSL2 - revision: b2294b5da7 WARN: java.net.ConnectException: Connection refused [- ] filesummary - [- ] qua…fication_table_reformatted - [- ] filter_spectra - [- ] filesummary - [- ] qua…fication_table_reformatted - [- ] filter_spectra - [- ] librarySearchData - [- ] librarymergeResults - [- ] summaryLibrary - [- ] librarygetGNPSAnnotations - [- ] networkingGNPSPrepParams - [- ] calculatePairs - [- ] filterNetwork - [- ] createMetadataFile - [- ] calculateGroupings - [- ] enrichClusterSummary - [- ] createNetworkGraphML - [- ] createTallRawData - executor > slurm (4) [- ] filesummary | 0 of 1 [- ] qua…fication_table_reformatted | 0 of 1 [- ] filter_spectra - [- ] librarySearchData - [- ] librarymergeResults - [71/4ed2e1] summaryLibrary (25) | 0 of 67 [- ] librarygetGNPSAnnotations - [- ] networkingGNPSPrepParams - [- ] calculatePairs - [- ] filterNetwork - [- ] createMetadataFile | 0 of 1 [- ] calculateGroupings - [- ] enrichClusterSummary - [- ] createNetworkGraphML - [- ] createTallRawData - executor > slurm (13) [- ] filesummary | 0 of 1 [- ] qua…fication_table_reformatted | 0 of 1 [- ] filter_spectra - [- ] librarySearchData - [- ] librarymergeResults - [ea/5bcbfd] summaryLibrary (31) | 0 of 67 [- ] librarygetGNPSAnnotations - [- ] networkingGNPSPrepParams - [- ] calculatePairs - [- ] filterNetwork - [10/c904c3] createMetadataFile (1) | 0 of 1 [- ] calculateGroupings - [- ] enrichClusterSummary - [- ] createNetworkGraphML - [- ] createTallRawData - executor > slurm (21) [- ] filesummary | 0 of 1 [1e/6b4835] qua…tion_table_reformatted (1) | 0 of 1 [- ] filter_spectra - [- ] librarySearchData - [- ] librarymergeResults - [23/e808f4] summaryLibrary (1) | 0 of 67 [- ] librarygetGNPSAnnotations - [- ] networkingGNPSPrepParams - [- ] calculatePairs - [- ] filterNetwork - [10/c904c3] createMetadataFile (1) | 0 of 1 [- ] calculateGroupings - [- ] enrichClusterSummary - [- ] createNetworkGraphML - [- ] createTallRawData - executor > slurm (29) [- ] filesummary | 0 of 1 [1e/6b4835] qua…tion_table_reformatted (1) | 0 of 1 [- ] filter_spectra - [- ] librarySearchData - [- ] librarymergeResults - [7d/9cf9df] summaryLibrary (28) | 0 of 67 [- ] librarygetGNPSAnnotations - [- ] networkingGNPSPrepParams - [- ] calculatePairs - [- ] filterNetwork - [10/c904c3] createMetadataFile (1) | 0 of 1 [- ] calculateGroupings - [- ] enrichClusterSummary - [- ] createNetworkGraphML - [- ] createTallRawData - executor > slurm (37) [c1/25a56b] filesummary (1) | 0 of 1 [1e/6b4835] qua…tion_table_reformatted (1) | 0 of 1 [- ] filter_spectra - [- ] librarySearchData - [- ] librarymergeResults - [86/a74386] summaryLibrary (33) | 0 of 67 [- ] librarygetGNPSAnnotations - [- ] networkingGNPSPrepParams - [- ] calculatePairs - [- ] filterNetwork - [10/c904c3] createMetadataFile (1) | 0 of 1 [- ] calculateGroupings - [- ] enrichClusterSummary - [- ] createNetworkGraphML - [- ] createTallRawData - executor > slurm (44) [c1/25a56b] filesummary (1) | 0 of 1 [1e/6b4835] qua…tion_table_reformatted (1) | 0 of 1 [- ] filter_spectra - [- ] librarySearchData - [- ] librarymergeResults - [ab/c9c109] summaryLibrary (41) | 0 of 67 [- ] librarygetGNPSAnnotations - [- ] networkingGNPSPrepParams - [- ] calculatePairs - [- ] filterNetwork - [10/c904c3] createMetadataFile (1) | 0 of 1 [- ] calculateGroupings - [- ] enrichClusterSummary - [- ] createNetworkGraphML - [- ] createTallRawData - executor > slurm (51) [c1/25a56b] filesummary (1) | 0 of 1 [1e/6b4835] qua…tion_table_reformatted (1) | 0 of 1 [- ] filter_spectra - [- ] librarySearchData - [- ] librarymergeResults - [37/72bf7f] summaryLibrary (47) | 0 of 67 [- ] librarygetGNPSAnnotations - [- ] networkingGNPSPrepParams - [- ] calculatePairs - [- ] filterNetwork - [10/c904c3] createMetadataFile (1) | 0 of 1 [- ] calculateGroupings - [- ] enrichClusterSummary - [- ] createNetworkGraphML - [- ] createTallRawData - executor > slurm (57) [c1/25a56b] filesummary (1) | 0 of 1 [1e/6b4835] qua…tion_table_reformatted (1) | 0 of 1 [- ] filter_spectra - [- ] librarySearchData - [- ] librarymergeResults - [d7/0dbe77] summaryLibrary (54) | 0 of 67 [- ] librarygetGNPSAnnotations - [- ] networkingGNPSPrepParams - [- ] calculatePairs - [- ] filterNetwork - [10/c904c3] createMetadataFile (1) | 0 of 1 [- ] calculateGroupings - [- ] enrichClusterSummary - [- ] createNetworkGraphML - [- ] createTallRawData - executor > slurm (64) [c1/25a56b] filesummary (1) | 0 of 1 [1e/6b4835] qua…tion_table_reformatted (1) | 0 of 1 [- ] filter_spectra - [- ] librarySearchData - [- ] librarymergeResults - [e5/633730] summaryLibrary (62) | 0 of 67 [- ] librarygetGNPSAnnotations - [- ] networkingGNPSPrepParams - [- ] calculatePairs - [- ] filterNetwork - [10/c904c3] createMetadataFile (1) | 0 of 1 [- ] calculateGroupings - [- ] enrichClusterSummary - [- ] createNetworkGraphML - [- ] createTallRawData - executor > slurm (70) [c1/25a56b] filesummary (1) | 0 of 1 [1e/6b4835] qua…tion_table_reformatted (1) | 0 of 1 [- ] filter_spectra - [- ] librarySearchData - [- ] librarymergeResults - [c9/0b0759] summaryLibrary (67) | 0 of 67 [- ] librarygetGNPSAnnotations - [- ] networkingGNPSPrepParams - [- ] calculatePairs - [- ] filterNetwork - [10/c904c3] createMetadataFile (1) | 0 of 1 [- ] calculateGroupings - [- ] enrichClusterSummary - [- ] createNetworkGraphML - [- ] createTallRawData - executor > slurm (70) [c1/25a56b] filesummary (1) | 0 of 1 [1e/6b4835] qua…tion_table_reformatted (1) | 0 of 1 [- ] filter_spectra - [- ] librarySearchData - [- ] librarymergeResults - [c9/0b0759] summaryLibrary (67) | 0 of 67 [- ] librarygetGNPSAnnotations - [- ] networkingGNPSPrepParams - [- ] calculatePairs - [- ] filterNetwork - [10/c904c3] createMetadataFile (1) | 0 of 1 [- ] calculateGroupings - [- ] enrichClusterSummary - [- ] createNetworkGraphML - [- ] createTallRawData - executor > slurm (73) [c1/25a56b] filesummary (1) | 1 of 1 ✔ [1e/6b4835] qua…tion_table_reformatted (1) | 1 of 1 ✔ [4e/735ea1] filter_spectra (1) | 0 of 1 [- ] librarySearchData - [- ] librarymergeResults - [c9/0b0759] summaryLibrary (67) | 65 of 67 [- ] librarygetGNPSAnnotations - [- ] networkingGNPSPrepParams - [- ] calculatePairs - [- ] filterNetwork - [10/c904c3] createMetadataFile (1) | 1 of 1 ✔ [f0/e3e329] calculateGroupings (1) | 0 of 1 [- ] enrichClusterSummary - [- ] createNetworkGraphML - [75/b4e63b] createTallRawData (1) | 0 of 1 executor > slurm (73) [c1/25a56b] filesummary (1) | 1 of 1 ✔ [1e/6b4835] qua…tion_table_reformatted (1) | 1 of 1 ✔ [4e/735ea1] filter_spectra (1) | 1 of 1 ✔ [- ] librarySearchData - [- ] librarymergeResults - [6c/293e27] summaryLibrary (57) | 67 of 67 ✔ [- ] librarygetGNPSAnnotations - [- ] networkingGNPSPrepParams - [- ] calculatePairs - [- ] filterNetwork - [10/c904c3] createMetadataFile (1) | 1 of 1 ✔ [f0/e3e329] calculateGroupings (1) | 1 of 1 ✔ [- ] enrichClusterSummary - [- ] createNetworkGraphML - [75/b4e63b] createTallRawData (1) | 1 of 1 ✔ executor > slurm (80) [c1/25a56b] filesummary (1) | 1 of 1 ✔ [1e/6b4835] qua…tion_table_reformatted (1) | 1 of 1 ✔ [4e/735ea1] filter_spectra (1) | 1 of 1 ✔ [a4/eca604] librarySearchData (10) | 0 of 67 [- ] librarymergeResults - [6c/293e27] summaryLibrary (57) | 67 of 67 ✔ [- ] librarygetGNPSAnnotations - [15/271086] networkingGNPSPrepParams (1) | 0 of 1 [- ] calculatePairs - [- ] filterNetwork - [10/c904c3] createMetadataFile (1) | 1 of 1 ✔ [f0/e3e329] calculateGroupings (1) | 1 of 1 ✔ [- ] enrichClusterSummary - [- ] createNetworkGraphML - [75/b4e63b] createTallRawData (1) | 1 of 1 ✔ executor > slurm (92) [c1/25a56b] filesummary (1) | 1 of 1 ✔ [1e/6b4835] qua…tion_table_reformatted (1) | 1 of 1 ✔ [4e/735ea1] filter_spectra (1) | 1 of 1 ✔ [0b/5da6d0] librarySearchData (23) | 0 of 67 [- ] librarymergeResults - [6c/293e27] summaryLibrary (57) | 67 of 67 ✔ [- ] librarygetGNPSAnnotations - [15/271086] networkingGNPSPrepParams (1) | 0 of 1 [- ] calculatePairs - [- ] filterNetwork - [10/c904c3] createMetadataFile (1) | 1 of 1 ✔ [f0/e3e329] calculateGroupings (1) | 1 of 1 ✔ [- ] enrichClusterSummary - [- ] createNetworkGraphML - [75/b4e63b] createTallRawData (1) | 1 of 1 ✔ executor > slurm (103) [c1/25a56b] filesummary (1) | 1 of 1 ✔ [1e/6b4835] qua…tion_table_reformatted (1) | 1 of 1 ✔ [4e/735ea1] filter_spectra (1) | 1 of 1 ✔ [55/b2b5bd] librarySearchData (20) | 0 of 67 [- ] librarymergeResults - [6c/293e27] summaryLibrary (57) | 67 of 67 ✔ [- ] librarygetGNPSAnnotations - [15/271086] networkingGNPSPrepParams (1) | 0 of 1 [- ] calculatePairs - [- ] filterNetwork - [10/c904c3] createMetadataFile (1) | 1 of 1 ✔ [f0/e3e329] calculateGroupings (1) | 1 of 1 ✔ [- ] enrichClusterSummary - [- ] createNetworkGraphML - [75/b4e63b] createTallRawData (1) | 1 of 1 ✔ executor > slurm (113) [c1/25a56b] filesummary (1) | 1 of 1 ✔ [1e/6b4835] qua…tion_table_reformatted (1) | 1 of 1 ✔ [4e/735ea1] filter_spectra (1) | 1 of 1 ✔ [06/878ae1] librarySearchData (39) | 0 of 67 [- ] librarymergeResults - [6c/293e27] summaryLibrary (57) | 67 of 67 ✔ [- ] librarygetGNPSAnnotations - [15/271086] networkingGNPSPrepParams (1) | 0 of 1 [- ] calculatePairs - [- ] filterNetwork - [10/c904c3] createMetadataFile (1) | 1 of 1 ✔ [f0/e3e329] calculateGroupings (1) | 1 of 1 ✔ [- ] enrichClusterSummary - [- ] createNetworkGraphML - [75/b4e63b] createTallRawData (1) | 1 of 1 ✔ executor > slurm (123) [c1/25a56b] filesummary (1) | 1 of 1 ✔ [1e/6b4835] qua…tion_table_reformatted (1) | 1 of 1 ✔ [4e/735ea1] filter_spectra (1) | 1 of 1 ✔ [1d/6a6ba3] librarySearchData (48) | 0 of 67 [- ] librarymergeResults - [6c/293e27] summaryLibrary (57) | 67 of 67 ✔ [- ] librarygetGNPSAnnotations - [15/271086] networkingGNPSPrepParams (1) | 0 of 1 [- ] calculatePairs - [- ] filterNetwork - [10/c904c3] createMetadataFile (1) | 1 of 1 ✔ [f0/e3e329] calculateGroupings (1) | 1 of 1 ✔ [- ] enrichClusterSummary - [- ] createNetworkGraphML - [75/b4e63b] createTallRawData (1) | 1 of 1 ✔ executor > slurm (130) [c1/25a56b] filesummary (1) | 1 of 1 ✔ [1e/6b4835] qua…tion_table_reformatted (1) | 1 of 1 ✔ [4e/735ea1] filter_spectra (1) | 1 of 1 ✔ [79/8400cc] librarySearchData (62) | 0 of 67 [- ] librarymergeResults - [6c/293e27] summaryLibrary (57) | 67 of 67 ✔ [- ] librarygetGNPSAnnotations - [15/271086] networkingGNPSPrepParams (1) | 0 of 1 [- ] calculatePairs - [- ] filterNetwork - [10/c904c3] createMetadataFile (1) | 1 of 1 ✔ [f0/e3e329] calculateGroupings (1) | 1 of 1 ✔ [- ] enrichClusterSummary - [- ] createNetworkGraphML - [75/b4e63b] createTallRawData (1) | 1 of 1 ✔ executor > slurm (136) [c1/25a56b] filesummary (1) | 1 of 1 ✔ [1e/6b4835] qua…tion_table_reformatted (1) | 1 of 1 ✔ [4e/735ea1] filter_spectra (1) | 1 of 1 ✔ [1c/c90f99] librarySearchData (56) | 0 of 67 [- ] librarymergeResults - [6c/293e27] summaryLibrary (57) | 67 of 67 ✔ [- ] librarygetGNPSAnnotations - [15/271086] networkingGNPSPrepParams (1) | 0 of 1 [- ] calculatePairs - [- ] filterNetwork - [10/c904c3] createMetadataFile (1) | 1 of 1 ✔ [f0/e3e329] calculateGroupings (1) | 1 of 1 ✔ [- ] enrichClusterSummary - [- ] createNetworkGraphML - [75/b4e63b] createTallRawData (1) | 1 of 1 ✔ executor > slurm (141) [c1/25a56b] filesummary (1) | 1 of 1 ✔ [1e/6b4835] qua…tion_table_reformatted (1) | 1 of 1 ✔ [4e/735ea1] filter_spectra (1) | 1 of 1 ✔ [ad/9c9da0] librarySearchData (67) | 0 of 67 [- ] librarymergeResults - [6c/293e27] summaryLibrary (57) | 67 of 67 ✔ [- ] librarygetGNPSAnnotations - [15/271086] networkingGNPSPrepParams (1) | 0 of 1 [- ] calculatePairs - [- ] filterNetwork - [10/c904c3] createMetadataFile (1) | 1 of 1 ✔ [f0/e3e329] calculateGroupings (1) | 1 of 1 ✔ [- ] enrichClusterSummary - [- ] createNetworkGraphML - [75/b4e63b] createTallRawData (1) | 1 of 1 ✔ executor > slurm (141) [c1/25a56b] filesummary (1) | 1 of 1 ✔ [1e/6b4835] qua…tion_table_reformatted (1) | 1 of 1 ✔ [4e/735ea1] filter_spectra (1) | 1 of 1 ✔ [ad/9c9da0] librarySearchData (67) | 0 of 67 [- ] librarymergeResults - [6c/293e27] summaryLibrary (57) | 67 of 67 ✔ [- ] librarygetGNPSAnnotations - [15/271086] networkingGNPSPrepParams (1) | 1 of 1 ✔ [- ] calculatePairs | 0 of 1 [- ] filterNetwork - [10/c904c3] createMetadataFile (1) | 1 of 1 ✔ [f0/e3e329] calculateGroupings (1) | 1 of 1 ✔ [- ] enrichClusterSummary - [- ] createNetworkGraphML - [75/b4e63b] createTallRawData (1) | 1 of 1 ✔ executor > slurm (142) [c1/25a56b] filesummary (1) | 1 of 1 ✔ [1e/6b4835] qua…tion_table_reformatted (1) | 1 of 1 ✔ [4e/735ea1] filter_spectra (1) | 1 of 1 ✔ [79/e7cad3] librarySearchData (29) | 2 of 67 [- ] librarymergeResults - [6c/293e27] summaryLibrary (57) | 67 of 67 ✔ [- ] librarygetGNPSAnnotations - [15/271086] networkingGNPSPrepParams (1) | 1 of 1 ✔ [a7/08f598] calculatePairs (1) | 0 of 1 [- ] filterNetwork - [10/c904c3] createMetadataFile (1) | 1 of 1 ✔ [f0/e3e329] calculateGroupings (1) | 1 of 1 ✔ [- ] enrichClusterSummary - [- ] createNetworkGraphML - [75/b4e63b] createTallRawData (1) | 1 of 1 ✔ executor > slurm (142) [c1/25a56b] filesummary (1) | 1 of 1 ✔ [1e/6b4835] qua…tion_table_reformatted (1) | 1 of 1 ✔ [4e/735ea1] filter_spectra (1) | 1 of 1 ✔ [f4/785baa] librarySearchData (58) | 40 of 67 [- ] librarymergeResults - [6c/293e27] summaryLibrary (57) | 67 of 67 ✔ [- ] librarygetGNPSAnnotations - [15/271086] networkingGNPSPrepParams (1) | 1 of 1 ✔ [a7/08f598] calculatePairs (1) | 0 of 1 [- ] filterNetwork - [10/c904c3] createMetadataFile (1) | 1 of 1 ✔ [f0/e3e329] calculateGroupings (1) | 1 of 1 ✔ [- ] enrichClusterSummary - [- ] createNetworkGraphML - [75/b4e63b] createTallRawData (1) | 1 of 1 ✔ executor > slurm (143) [c1/25a56b] filesummary (1) | 1 of 1 ✔ [1e/6b4835] qua…tion_table_reformatted (1) | 1 of 1 ✔ [4e/735ea1] filter_spectra (1) | 1 of 1 ✔ [c0/4161d4] librarySearchData (66) | 44 of 67 [- ] librarymergeResults - [6c/293e27] summaryLibrary (57) | 67 of 67 ✔ [- ] librarygetGNPSAnnotations - [15/271086] networkingGNPSPrepParams (1) | 1 of 1 ✔ [a7/08f598] calculatePairs (1) | 1 of 1 ✔ [ef/5e39d6] filterNetwork (1) | 0 of 1 [10/c904c3] createMetadataFile (1) | 1 of 1 ✔ [f0/e3e329] calculateGroupings (1) | 1 of 1 ✔ [- ] enrichClusterSummary - [- ] createNetworkGraphML - [75/b4e63b] createTallRawData (1) | 1 of 1 ✔ executor > slurm (143) [c1/25a56b] filesummary (1) | 1 of 1 ✔ [1e/6b4835] qua…tion_table_reformatted (1) | 1 of 1 ✔ [4e/735ea1] filter_spectra (1) | 1 of 1 ✔ [4f/becdae] librarySearchData (52) | 52 of 67 [- ] librarymergeResults - [6c/293e27] summaryLibrary (57) | 67 of 67 ✔ [- ] librarygetGNPSAnnotations - [15/271086] networkingGNPSPrepParams (1) | 1 of 1 ✔ [a7/08f598] calculatePairs (1) | 1 of 1 ✔ [ef/5e39d6] filterNetwork (1) | 1 of 1 ✔ [10/c904c3] createMetadataFile (1) | 1 of 1 ✔ [f0/e3e329] calculateGroupings (1) | 1 of 1 ✔ [- ] enrichClusterSummary - [- ] createNetworkGraphML - [75/b4e63b] createTallRawData (1) | 1 of 1 ✔ executor > slurm (143) [c1/25a56b] filesummary (1) | 1 of 1 ✔ [1e/6b4835] qua…tion_table_reformatted (1) | 1 of 1 ✔ [4e/735ea1] filter_spectra (1) | 1 of 1 ✔ [e0/c54edf] librarySearchData (37) | 56 of 67 [- ] librarymergeResults - [6c/293e27] summaryLibrary (57) | 67 of 67 ✔ [- ] librarygetGNPSAnnotations - [15/271086] networkingGNPSPrepParams (1) | 1 of 1 ✔ [a7/08f598] calculatePairs (1) | 1 of 1 ✔ [ef/5e39d6] filterNetwork (1) | 1 of 1 ✔ [10/c904c3] createMetadataFile (1) | 1 of 1 ✔ [f0/e3e329] calculateGroupings (1) | 1 of 1 ✔ [- ] enrichClusterSummary - [- ] createNetworkGraphML - [75/b4e63b] createTallRawData (1) | 1 of 1 ✔ executor > slurm (143) [c1/25a56b] filesummary (1) | 1 of 1 ✔ [1e/6b4835] qua…tion_table_reformatted (1) | 1 of 1 ✔ [4e/735ea1] filter_spectra (1) | 1 of 1 ✔ [3c/ff2b58] librarySearchData (16) | 57 of 67 [- ] librarymergeResults - [6c/293e27] summaryLibrary (57) | 67 of 67 ✔ [- ] librarygetGNPSAnnotations - [15/271086] networkingGNPSPrepParams (1) | 1 of 1 ✔ [a7/08f598] calculatePairs (1) | 1 of 1 ✔ [ef/5e39d6] filterNetwork (1) | 1 of 1 ✔ [10/c904c3] createMetadataFile (1) | 1 of 1 ✔ [f0/e3e329] calculateGroupings (1) | 1 of 1 ✔ [- ] enrichClusterSummary - [- ] createNetworkGraphML - [75/b4e63b] createTallRawData (1) | 1 of 1 ✔ executor > slurm (143) [c1/25a56b] filesummary (1) | 1 of 1 ✔ [1e/6b4835] qua…tion_table_reformatted (1) | 1 of 1 ✔ [4e/735ea1] filter_spectra (1) | 1 of 1 ✔ [74/3afad1] librarySearchData (65) | 59 of 67 [- ] librarymergeResults - [6c/293e27] summaryLibrary (57) | 67 of 67 ✔ [- ] librarygetGNPSAnnotations - [15/271086] networkingGNPSPrepParams (1) | 1 of 1 ✔ [a7/08f598] calculatePairs (1) | 1 of 1 ✔ [ef/5e39d6] filterNetwork (1) | 1 of 1 ✔ [10/c904c3] createMetadataFile (1) | 1 of 1 ✔ [f0/e3e329] calculateGroupings (1) | 1 of 1 ✔ [- ] enrichClusterSummary - [- ] createNetworkGraphML - [75/b4e63b] createTallRawData (1) | 1 of 1 ✔ executor > slurm (143) [c1/25a56b] filesummary (1) | 1 of 1 ✔ [1e/6b4835] qua…tion_table_reformatted (1) | 1 of 1 ✔ [4e/735ea1] filter_spectra (1) | 1 of 1 ✔ [4a/897a44] librarySearchData (1) | 60 of 67 [- ] librarymergeResults - [6c/293e27] summaryLibrary (57) | 67 of 67 ✔ [- ] librarygetGNPSAnnotations - [15/271086] networkingGNPSPrepParams (1) | 1 of 1 ✔ [a7/08f598] calculatePairs (1) | 1 of 1 ✔ [ef/5e39d6] filterNetwork (1) | 1 of 1 ✔ [10/c904c3] createMetadataFile (1) | 1 of 1 ✔ [f0/e3e329] calculateGroupings (1) | 1 of 1 ✔ [- ] enrichClusterSummary - [- ] createNetworkGraphML - [75/b4e63b] createTallRawData (1) | 1 of 1 ✔ executor > slurm (143) [c1/25a56b] filesummary (1) | 1 of 1 ✔ [1e/6b4835] qua…tion_table_reformatted (1) | 1 of 1 ✔ [4e/735ea1] filter_spectra (1) | 1 of 1 ✔ [d7/47715d] librarySearchData (45) | 61 of 67 [- ] librarymergeResults - [6c/293e27] summaryLibrary (57) | 67 of 67 ✔ [- ] librarygetGNPSAnnotations - [15/271086] networkingGNPSPrepParams (1) | 1 of 1 ✔ [a7/08f598] calculatePairs (1) | 1 of 1 ✔ [ef/5e39d6] filterNetwork (1) | 1 of 1 ✔ [10/c904c3] createMetadataFile (1) | 1 of 1 ✔ [f0/e3e329] calculateGroupings (1) | 1 of 1 ✔ [- ] enrichClusterSummary - [- ] createNetworkGraphML - [75/b4e63b] createTallRawData (1) | 1 of 1 ✔ executor > slurm (143) [c1/25a56b] filesummary (1) | 1 of 1 ✔ [1e/6b4835] qua…tion_table_reformatted (1) | 1 of 1 ✔ [4e/735ea1] filter_spectra (1) | 1 of 1 ✔ [ad/9c9da0] librarySearchData (67) | 63 of 67 [- ] librarymergeResults - [6c/293e27] summaryLibrary (57) | 67 of 67 ✔ [- ] librarygetGNPSAnnotations - [15/271086] networkingGNPSPrepParams (1) | 1 of 1 ✔ [a7/08f598] calculatePairs (1) | 1 of 1 ✔ [ef/5e39d6] filterNetwork (1) | 1 of 1 ✔ [10/c904c3] createMetadataFile (1) | 1 of 1 ✔ [f0/e3e329] calculateGroupings (1) | 1 of 1 ✔ [- ] enrichClusterSummary - [- ] createNetworkGraphML - [75/b4e63b] createTallRawData (1) | 1 of 1 ✔ WARN: java.net.ConnectException: Connection refused executor > slurm (143) [c1/25a56b] filesummary (1) | 1 of 1 ✔ [1e/6b4835] qua…tion_table_reformatted (1) | 1 of 1 ✔ [4e/735ea1] filter_spectra (1) | 1 of 1 ✔ [7d/30b4dc] librarySearchData (63) | 65 of 67 [- ] librarymergeResults - [6c/293e27] summaryLibrary (57) | 67 of 67 ✔ [- ] librarygetGNPSAnnotations - [15/271086] networkingGNPSPrepParams (1) | 1 of 1 ✔ [a7/08f598] calculatePairs (1) | 1 of 1 ✔ [ef/5e39d6] filterNetwork (1) | 1 of 1 ✔ [10/c904c3] createMetadataFile (1) | 1 of 1 ✔ [f0/e3e329] calculateGroupings (1) | 1 of 1 ✔ [- ] enrichClusterSummary - [- ] createNetworkGraphML - [75/b4e63b] createTallRawData (1) | 1 of 1 ✔ WARN: java.net.ConnectException: Connection refused executor > slurm (143) [c1/25a56b] filesummary (1) | 1 of 1 ✔ [1e/6b4835] qua…tion_table_reformatted (1) | 1 of 1 ✔ [4e/735ea1] filter_spectra (1) | 1 of 1 ✔ [55/b2b5bd] librarySearchData (20) | 66 of 67 [- ] librarymergeResults - [6c/293e27] summaryLibrary (57) | 67 of 67 ✔ [- ] librarygetGNPSAnnotations - [15/271086] networkingGNPSPrepParams (1) | 1 of 1 ✔ [a7/08f598] calculatePairs (1) | 1 of 1 ✔ [ef/5e39d6] filterNetwork (1) | 1 of 1 ✔ [10/c904c3] createMetadataFile (1) | 1 of 1 ✔ [f0/e3e329] calculateGroupings (1) | 1 of 1 ✔ [- ] enrichClusterSummary - [- ] createNetworkGraphML - [75/b4e63b] createTallRawData (1) | 1 of 1 ✔ WARN: java.net.ConnectException: Connection refused executor > slurm (144) [c1/25a56b] filesummary (1) | 1 of 1 ✔ [1e/6b4835] qua…tion_table_reformatted (1) | 1 of 1 ✔ [4e/735ea1] filter_spectra (1) | 1 of 1 ✔ [6e/dcd94a] librarySearchData (55) | 67 of 67 ✔ [40/10da97] librarymergeResults | 0 of 1 [6c/293e27] summaryLibrary (57) | 67 of 67 ✔ [- ] librarygetGNPSAnnotations - [15/271086] networkingGNPSPrepParams (1) | 1 of 1 ✔ [a7/08f598] calculatePairs (1) | 1 of 1 ✔ [ef/5e39d6] filterNetwork (1) | 1 of 1 ✔ [10/c904c3] createMetadataFile (1) | 1 of 1 ✔ [f0/e3e329] calculateGroupings (1) | 1 of 1 ✔ [- ] enrichClusterSummary - [- ] createNetworkGraphML - [75/b4e63b] createTallRawData (1) | 1 of 1 ✔ WARN: java.net.ConnectException: Connection refused executor > slurm (145) [c1/25a56b] filesummary (1) | 1 of 1 ✔ [1e/6b4835] qua…tion_table_reformatted (1) | 1 of 1 ✔ [4e/735ea1] filter_spectra (1) | 1 of 1 ✔ [6e/dcd94a] librarySearchData (55) | 67 of 67 ✔ [40/10da97] librarymergeResults | 1 of 1 ✔ [6c/293e27] summaryLibrary (57) | 67 of 67 ✔ [fe/467b9d] librarygetGNPSAnnotations (1) | 0 of 1 [15/271086] networkingGNPSPrepParams (1) | 1 of 1 ✔ [a7/08f598] calculatePairs (1) | 1 of 1 ✔ [ef/5e39d6] filterNetwork (1) | 1 of 1 ✔ [10/c904c3] createMetadataFile (1) | 1 of 1 ✔ [f0/e3e329] calculateGroupings (1) | 1 of 1 ✔ [- ] enrichClusterSummary - [- ] createNetworkGraphML - [75/b4e63b] createTallRawData (1) | 1 of 1 ✔ WARN: java.net.ConnectException: Connection refused executor > slurm (145) [c1/25a56b] filesummary (1) | 1 of 1 ✔ [1e/6b4835] qua…tion_table_reformatted (1) | 1 of 1 ✔ [4e/735ea1] filter_spectra (1) | 1 of 1 ✔ [6e/dcd94a] librarySearchData (55) | 67 of 67 ✔ [40/10da97] librarymergeResults | 1 of 1 ✔ [6c/293e27] summaryLibrary (57) | 67 of 67 ✔ [fe/467b9d] librarygetGNPSAnnotations (1) | 0 of 1 [15/271086] networkingGNPSPrepParams (1) | 1 of 1 ✔ [a7/08f598] calculatePairs (1) | 1 of 1 ✔ [ef/5e39d6] filterNetwork (1) | 1 of 1 ✔ [10/c904c3] createMetadataFile (1) | 1 of 1 ✔ [f0/e3e329] calculateGroupings (1) | 1 of 1 ✔ [- ] enrichClusterSummary - [- ] createNetworkGraphML - [75/b4e63b] createTallRawData (1) | 1 of 1 ✔ WARN: java.net.ConnectException: Connection refused executor > slurm (146) [c1/25a56b] filesummary (1) | 1 of 1 ✔ [1e/6b4835] qua…tion_table_reformatted (1) | 1 of 1 ✔ [4e/735ea1] filter_spectra (1) | 1 of 1 ✔ [6e/dcd94a] librarySearchData (55) | 67 of 67 ✔ [40/10da97] librarymergeResults | 1 of 1 ✔ [6c/293e27] summaryLibrary (57) | 67 of 67 ✔ [fe/467b9d] librarygetGNPSAnnotations (1) | 1 of 1 ✔ [15/271086] networkingGNPSPrepParams (1) | 1 of 1 ✔ [a7/08f598] calculatePairs (1) | 1 of 1 ✔ [ef/5e39d6] filterNetwork (1) | 1 of 1 ✔ [10/c904c3] createMetadataFile (1) | 1 of 1 ✔ [f0/e3e329] calculateGroupings (1) | 1 of 1 ✔ [b0/2133bb] enrichClusterSummary (1) | 0 of 1 [- ] createNetworkGraphML - [75/b4e63b] createTallRawData (1) | 1 of 1 ✔ WARN: java.net.ConnectException: Connection refused executor > slurm (147) [c1/25a56b] filesummary (1) | 1 of 1 ✔ [1e/6b4835] qua…tion_table_reformatted (1) | 1 of 1 ✔ [4e/735ea1] filter_spectra (1) | 1 of 1 ✔ [6e/dcd94a] librarySearchData (55) | 67 of 67 ✔ [40/10da97] librarymergeResults | 1 of 1 ✔ [6c/293e27] summaryLibrary (57) | 67 of 67 ✔ [fe/467b9d] librarygetGNPSAnnotations (1) | 1 of 1 ✔ [15/271086] networkingGNPSPrepParams (1) | 1 of 1 ✔ [a7/08f598] calculatePairs (1) | 1 of 1 ✔ [ef/5e39d6] filterNetwork (1) | 1 of 1 ✔ [10/c904c3] createMetadataFile (1) | 1 of 1 ✔ [f0/e3e329] calculateGroupings (1) | 1 of 1 ✔ [b0/2133bb] enrichClusterSummary (1) | 1 of 1 ✔ [56/6c89f5] createNetworkGraphML (1) | 0 of 1 [75/b4e63b] createTallRawData (1) | 1 of 1 ✔ WARN: java.net.ConnectException: Connection refused executor > slurm (147) [c1/25a56b] filesummary (1) | 1 of 1 ✔ [1e/6b4835] qua…tion_table_reformatted (1) | 1 of 1 ✔ [4e/735ea1] filter_spectra (1) | 1 of 1 ✔ [6e/dcd94a] librarySearchData (55) | 67 of 67 ✔ [40/10da97] librarymergeResults | 1 of 1 ✔ [6c/293e27] summaryLibrary (57) | 67 of 67 ✔ [fe/467b9d] librarygetGNPSAnnotations (1) | 1 of 1 ✔ [15/271086] networkingGNPSPrepParams (1) | 1 of 1 ✔ [a7/08f598] calculatePairs (1) | 1 of 1 ✔ [ef/5e39d6] filterNetwork (1) | 1 of 1 ✔ [10/c904c3] createMetadataFile (1) | 1 of 1 ✔ [f0/e3e329] calculateGroupings (1) | 1 of 1 ✔ [b0/2133bb] enrichClusterSummary (1) | 1 of 1 ✔ [56/6c89f5] createNetworkGraphML (1) | 1 of 1 ✔ [75/b4e63b] createTallRawData (1) | 1 of 1 ✔ WARN: java.net.ConnectException: Connection refused executor > slurm (147) [c1/25a56b] filesummary (1) | 1 of 1 ✔ [1e/6b4835] qua…tion_table_reformatted (1) | 1 of 1 ✔ [4e/735ea1] filter_spectra (1) | 1 of 1 ✔ [6e/dcd94a] librarySearchData (55) | 67 of 67 ✔ [40/10da97] librarymergeResults | 1 of 1 ✔ [6c/293e27] summaryLibrary (57) | 67 of 67 ✔ [fe/467b9d] librarygetGNPSAnnotations (1) | 1 of 1 ✔ [15/271086] networkingGNPSPrepParams (1) | 1 of 1 ✔ [a7/08f598] calculatePairs (1) | 1 of 1 ✔ [ef/5e39d6] filterNetwork (1) | 1 of 1 ✔ [10/c904c3] createMetadataFile (1) | 1 of 1 ✔ [f0/e3e329] calculateGroupings (1) | 1 of 1 ✔ [b0/2133bb] enrichClusterSummary (1) | 1 of 1 ✔ [56/6c89f5] createNetworkGraphML (1) | 1 of 1 ✔ [75/b4e63b] createTallRawData (1) | 1 of 1 ✔ Completed at: 15-Apr-2025 13:11:40 Duration : 5m 37s CPU hours : 0.3 Succeeded : 147 nf_cmd.sh0000644000000000000000000000120114777454521011350 0ustar rootrootnextflow run /app/workflows_user/feature_based_molecular_networking_workflow/nf_workflow.nf -params-file /data/nf_data/server/nf_tasks/08fc6a38fcea479e9bd23b9ff64458e7/job_parameters.yaml -w /data/nf_data/server/nf_work/08fc6a38fcea479e9bd23b9ff64458e7 -with-report /data/nf_data/server/nf_tasks/08fc6a38fcea479e9bd23b9ff64458e7/job_report.html -with-timeline /data/nf_data/server/nf_tasks/08fc6a38fcea479e9bd23b9ff64458e7/job_timeline.html -with-dag /data/nf_data/server/nf_tasks/08fc6a38fcea479e9bd23b9ff64458e7/job_dag.html -with-weblog http://localhost:4000/nf_weblog/08fc6a38fcea479e9bd23b9ff64458e7 -c /app/launchserver/nextflow.confignf_output/0000755000000000000000000000000014777455226011622 5ustar rootrootnf_output/GNPS-NUTRI-METAB-FEM-NEG.mgf.tsv0000644000000000000000000000000114777454540016425 0ustar rootroot nf_output/ECRFS_DB.mgf.tsv0000644000000000000000000000000114777454540014324 0ustar rootroot nf_output/PNNL-LIPIDS-NEGATIVE.mgf.tsv0000644000000000000000000000000114777454540016046 0ustar rootroot nf_output/GNPS-IOBA-NHC.mgf.tsv0000644000000000000000000000000114777454540015002 0ustar rootroot nf_output/DMIM-DRUG-METABOLITE-LIBRARY.mgf.tsv0000644000000000000000000000000114777454540017127 0ustar rootroot nf_output/GNPS-NIH-CLINICALCOLLECTION2.mgf.tsv0000644000000000000000000000000114777454540017112 0ustar rootroot nf_output/networking/0000755000000000000000000000000014777455240014005 5ustar rootrootnf_output/networking/filtered_pairs.tsv0000644000000000000000000003443714777454564017562 0ustar rootrootCLUSTERID1 CLUSTERID2 ComponentIndex Cosine DeltaMZ 922 982 1 0.9872 14.016 922 1174 1 0.7876 12.037 1134 1157 1 0.9793 0.000 1157 1159 1 0.7621 -85.053 1157 1165 1 0.7894 12.073 1157 1252 1 0.9986 14.016 1157 1263 1 0.8965 -87.032 1157 1289 1 0.9281 16.031 1157 1362 1 0.8315 42.047 1157 1371 1 0.9034 12.036 1157 1473 1 0.8872 26.052 98 103 1 0.9562 1.003 103 107 1 0.8888 -33.984 103 113 1 0.8812 -33.984 103 114 1 0.9624 14.016 103 130 1 0.9145 14.016 103 278 1 0.8001 -23.975 103 305 1 0.795 -23.975 1036 1053 1 0.9738 33.984 1053 1054 1 0.9662 -1.003 1053 1111 1 0.9808 0.000 1053 1112 1 0.9668 -1.003 1053 1195 1 0.9867 14.016 1053 1205 1 0.9754 -49.979 1053 1354 1 0.9642 42.047 1053 1365 1 0.9697 12.036 1053 1407 1 0.966 -15.958 1053 1457 1 0.9519 -14.974 460 660 1 0.8493 16.031 471 660 1 0.793 16.031 439 440 1 0.9837 1.003 440 466 1 0.9849 -1.003 1036 1054 1 0.9386 32.981 1036 1111 1 0.9677 33.984 1036 1112 1 0.9328 32.981 1036 1195 1 0.9847 48.000 1036 1205 1 0.9905 -15.995 1036 1354 1 0.9747 76.031 1036 1407 1 0.9622 18.026 1036 1457 1 0.9604 19.010 879 1192 1 0.9082 112.081 1187 1192 1 0.9855 -1.003 1192 1216 1 0.9282 -70.034 1192 1266 1 0.9546 -56.018 879 924 1 0.9752 -0.000 879 1023 1 0.9856 14.016 879 1187 1 0.8734 113.084 879 1216 1 0.984 42.047 879 1258 1 0.9504 12.036 879 1266 1 0.9468 56.063 982 1174 1 0.8306 -1.979 1165 1174 1 0.8657 -0.984 1174 1234 1 0.9434 14.016 1252 1362 1 0.8539 28.031 1362 1371 1 0.9071 -30.011 1362 1389 1 0.941 14.016 1362 1473 1 0.9447 -15.995 1085 1165 1 0.7798 -27.011 1085 1258 1 0.8988 -36.011 1054 1365 1 0.9538 13.040 1111 1365 1 0.9607 12.036 1112 1365 1 0.9471 13.040 1195 1365 1 0.9713 -1.979 1205 1365 1 0.9681 62.015 1354 1365 1 0.9748 -30.011 1365 1389 1 0.9214 44.026 1365 1407 1 0.9563 -27.995 1365 1457 1 0.9618 -27.011 622 628 1 0.9902 -1.003 622 1187 1 0.9554 -23.975 432 439 1 0.9572 -2.007 439 465 1 0.9837 1.003 439 466 1 0.9993 0.000 439 505 1 0.9817 1.003 439 506 1 0.9687 2.007 1107 1263 1 0.826 12.036 1134 1263 1 0.8771 -87.032 1159 1263 1 0.8537 -1.979 1165 1263 1 0.7895 -99.105 1252 1263 1 0.8859 -101.048 1263 1289 1 0.8799 103.063 460 471 1 0.9907 0.000 460 640 1 0.7932 14.016 502 505 1 0.9877 -1.003 502 506 1 0.9967 0.000 502 1187 1 0.955 -23.975 466 505 1 0.9817 1.003 107 114 1 0.9054 48.000 113 114 1 0.8962 48.000 114 130 1 0.945 0.000 982 1252 1 0.7868 0.948 1134 1252 1 0.9801 14.016 1159 1252 1 0.7807 99.068 1252 1264 1 0.8251 -57.022 1252 1289 1 0.9181 2.016 1252 1371 1 0.9093 -1.980 1252 1473 1 0.8977 12.036 924 1216 1 0.9661 42.047 1023 1216 1 0.9806 28.031 1216 1258 1 0.9706 -30.011 1216 1266 1 0.98 14.016 1054 1112 1 0.9956 0.000 1111 1112 1 0.9804 -1.003 1112 1195 1 0.9443 15.019 1112 1205 1 0.9411 -48.976 1112 1354 1 0.9486 43.050 1112 1407 1 0.9562 -14.955 1054 1195 1 0.9482 15.019 1111 1195 1 0.9844 14.016 1195 1205 1 0.9862 -63.995 1195 1354 1 0.9779 28.031 1195 1407 1 0.9618 -29.974 1195 1457 1 0.9518 -28.990 432 466 1 0.9591 -2.007 465 466 1 0.9847 -1.003 466 506 1 0.9696 2.007 1138 1234 1 0.7843 -15.995 471 1023 1 0.735 -23.975 924 1023 1 0.9771 14.016 1023 1258 1 0.9519 -1.979 1023 1266 1 0.9483 42.047 107 113 1 0.9995 -0.000 113 130 1 0.8758 48.000 1134 1289 1 0.9417 16.031 1165 1289 1 0.7719 3.959 1289 1371 1 0.8857 -3.995 924 1266 1 0.9368 56.063 1258 1266 1 0.9611 44.026 1107 1155 1 0.8001 42.047 1155 1264 1 0.7717 14.016 1155 1473 1 0.8801 83.073 1389 1457 1 0.9325 -71.037 1389 1473 1 0.9315 -30.011 1134 1371 1 0.9391 12.036 1134 1473 1 0.9358 26.052 1107 1159 1 0.8648 14.016 1159 1264 1 0.7592 42.047 1102 1107 1 0.9717 0.885 278 1187 1 0.723 79.042 305 1187 1 0.7278 79.042 506 1187 1 0.9549 -23.975 278 305 1 0.9865 0.000 471 640 1 0.7377 14.016 107 130 1 0.8792 48.000 1371 1473 1 0.9633 14.016 924 1258 1 0.9503 12.036 1054 1205 1 0.9469 -48.976 1111 1205 1 0.9692 -49.979 1205 1354 1 0.9839 92.026 1205 1407 1 0.9522 34.021 1205 1457 1 0.947 35.005 1054 1457 1 0.9238 -13.971 1111 1457 1 0.937 -14.974 1354 1457 1 0.9442 -57.021 1407 1457 1 0.9693 0.984 1054 1111 1 0.9742 1.003 1111 1354 1 0.9523 42.047 1111 1407 1 0.9646 -15.958 1054 1354 1 0.9568 43.050 1354 1407 1 0.9635 -58.005 1054 1407 1 0.9614 -14.955 205 348 2 0.7037 27.036 207 348 2 0.7191 27.036 215 348 2 0.852 13.020 220 348 2 0.8396 13.020 253 348 2 0.848 -0.995 315 348 2 0.99 0.000 321 348 2 0.8874 -15.011 348 591 2 0.9724 0.000 348 1324 2 0.941 0.000 348 1348 2 0.9828 -0.000 181 220 2 0.8689 48.000 205 220 2 0.8702 14.016 207 220 2 0.8919 14.016 215 220 2 0.9877 0.000 220 253 2 0.9937 14.016 220 315 2 0.8432 13.020 220 321 2 0.9381 28.031 220 591 2 0.8266 13.020 220 1348 2 0.8316 13.020 181 1409 2 0.8133 -16.957 845 1409 2 0.9717 0.000 1126 1409 2 0.7598 72.021 1145 1409 2 0.7245 42.011 1201 1409 2 0.7122 58.005 1409 1415 2 0.8308 -1.996 1409 1522 2 0.736 -57.022 1409 1549 2 0.9707 0.000 181 205 2 0.8287 33.984 181 207 2 0.8502 33.984 181 215 2 0.8857 48.000 181 321 2 0.7494 76.031 1126 1369 2 0.7586 30.995 1145 1369 2 0.7348 0.984 1201 1369 2 0.8222 16.979 1317 1369 2 0.9543 1.004 1320 1369 2 0.9692 0.000 1321 1369 2 0.8024 1.996 1369 1377 2 0.9756 0.000 1126 1377 2 0.7698 30.995 1145 1377 2 0.7564 0.984 1201 1377 2 0.8103 16.979 1317 1377 2 0.9595 1.004 1320 1377 2 0.9888 0.000 1321 1377 2 0.8078 1.996 1377 1522 2 0.701 -15.995 205 591 2 0.7013 27.036 215 591 2 0.8364 13.020 253 591 2 0.8363 -0.995 315 591 2 0.9811 0.000 321 591 2 0.8765 -15.011 591 1324 2 0.934 0.000 591 1348 2 0.9905 -0.000 1522 1524 2 0.7726 -129.043 1126 1145 2 0.9104 30.011 1145 1201 2 0.8751 -15.995 1145 1320 2 0.7705 0.984 1145 1415 2 0.7212 40.015 1145 1549 2 0.7213 42.011 845 1549 2 0.9956 0.000 1126 1549 2 0.7474 72.021 1201 1549 2 0.7114 58.005 1415 1549 2 0.7895 1.996 845 1415 2 0.7891 -1.996 1126 1415 2 0.7135 70.025 845 1126 2 0.7196 -72.021 1321 1352 2 0.7826 -0.026 1352 1353 2 0.8045 -1.040 205 215 2 0.9217 14.016 207 215 2 0.9426 14.016 215 253 2 0.9747 14.016 215 315 2 0.8536 13.020 215 321 2 0.9345 28.031 215 1348 2 0.8399 13.020 205 476 2 0.7069 44.063 476 979 2 0.8146 12.966 476 1171 2 0.7152 11.982 1126 1201 2 0.895 14.016 1126 1320 2 0.7851 30.995 259 281 2 0.9678 1.003 137 205 2 0.7524 56.062 205 207 2 0.9813 0.000 205 253 2 0.8302 28.031 259 391 2 0.9604 1.003 307 391 2 0.9946 0.000 207 253 2 0.8501 28.031 253 315 2 0.8543 -0.995 253 321 2 0.9575 14.016 253 1324 2 0.8258 -0.995 253 1348 2 0.8429 -0.995 315 1324 2 0.9479 0.000 321 1324 2 0.8592 -15.011 1324 1348 2 0.9405 -0.000 979 1171 2 0.9294 -0.984 207 1348 2 0.7088 27.036 315 1348 2 0.9921 -0.000 321 1348 2 0.8766 -15.011 1201 1320 2 0.8161 16.979 137 207 2 0.7246 56.063 207 315 2 0.7156 27.036 207 321 2 0.7629 42.047 1317 1321 2 0.8136 -0.992 1320 1321 2 0.811 -1.996 259 315 2 0.7221 -16.023 315 321 2 0.8916 15.011 1317 1320 2 0.9677 1.004 1499 1510 3 0.9964 0.000 166 238 4 0.9044 28.989 166 240 4 0.9436 29.993 238 240 4 0.9855 1.004 988 1487 5 0.8639 72.036 1016 1487 5 0.8643 33.025 1029 1487 5 0.8741 -0.959 1079 1487 5 0.8542 -0.959 1175 1487 5 0.851 -14.974 1342 1487 5 0.8989 -43.006 1378 1487 5 0.8532 15.000 1426 1487 5 0.8909 14.016 988 1181 5 0.9185 23.016 1016 1181 5 0.9649 -15.995 1029 1181 5 0.964 -49.979 1030 1181 5 0.8689 -48.975 1079 1181 5 0.9601 -49.979 1175 1181 5 0.9496 -63.995 1181 1256 5 0.8412 66.010 1181 1342 5 0.9035 92.026 1181 1378 5 0.9159 34.021 1181 1426 5 0.8375 35.005 1016 1135 5 0.8439 16.028 1132 1135 5 0.9902 -0.098 904 1345 5 0.8035 -30.030 1030 1345 5 0.9049 42.047 1208 1345 5 0.7829 28.031 1342 1345 5 0.9398 -1.003 1345 1356 5 0.824 -30.011 1345 1466 5 0.8047 -15.853 988 1016 5 0.9167 39.011 1016 1029 5 0.9696 33.984 1016 1079 5 0.9583 33.984 1016 1175 5 0.9667 48.000 1016 1256 5 0.8487 50.016 1016 1342 5 0.9229 76.031 1016 1378 5 0.9395 18.026 904 920 5 0.815 14.016 904 980 5 0.7636 -69.021 904 1367 5 0.8121 -15.011 904 1466 5 0.7695 -45.883 1079 1355 5 0.8458 12.036 1128 1355 5 0.8233 12.036 1175 1355 5 0.8749 -1.979 1209 1355 5 0.8335 -1.979 1355 1356 5 0.9604 -1.004 1355 1388 5 0.8802 14.016 920 1367 5 0.8472 -29.027 1127 1208 5 0.9787 14.016 1128 1208 5 0.7739 13.012 1208 1209 5 0.9784 1.004 1208 1356 5 0.8335 -1.979 1208 1388 5 0.8261 13.040 1208 1466 5 0.8602 12.178 1029 1030 5 0.9795 -1.004 1030 1079 5 0.9477 1.004 1030 1175 5 0.8683 15.019 1030 1342 5 0.8946 43.051 1030 1356 5 0.8458 12.036 1030 1378 5 0.8768 -14.955 988 1079 5 0.9121 72.995 1029 1079 5 0.9779 0.000 1079 1175 5 0.9815 14.016 1079 1342 5 0.8944 42.047 1079 1378 5 0.9189 -15.958 988 1378 5 0.8676 57.037 1029 1378 5 0.9349 -15.958 1175 1378 5 0.9269 -29.974 1342 1378 5 0.9209 -58.005 1378 1426 5 0.8697 0.984 988 1029 5 0.912 72.995 988 1175 5 0.896 87.011 988 1256 5 0.8498 89.026 988 1342 5 0.8931 115.042 988 1426 5 0.8703 58.021 1029 1342 5 0.9111 42.047 1175 1342 5 0.9522 28.031 1127 1356 5 0.8052 12.036 1356 1466 5 0.8731 14.158 980 1367 5 0.8641 54.010 1127 1128 5 0.979 1.004 1128 1209 5 0.9834 14.016 1128 1256 5 0.8988 16.032 1128 1388 5 0.8807 26.052 1127 1466 5 0.8424 26.194 1209 1466 5 0.8072 11.174 1388 1466 5 0.9462 -0.862 1029 1175 5 0.984 14.016 1029 1426 5 0.8525 -14.974 1209 1256 5 0.8963 2.016 1209 1367 5 0.7921 42.047 1209 1388 5 0.8896 12.036 1256 1388 5 0.8264 10.021 1367 1388 5 0.8576 -30.010 38 62 7 0.9903 0.000 1067 1069 8 0.8752 19.014 1067 1071 8 0.9914 1.003 1067 1276 8 0.8631 0.948 1067 1279 8 0.8165 18.977 1067 1281 8 0.8264 1.951 1071 1281 8 0.8453 0.948 1276 1281 8 0.9875 1.003 586 606 8 0.9776 -3.019 606 701 8 0.9888 0.000 606 911 8 0.8554 33.012 586 701 8 0.9767 -3.019 586 1069 8 0.7497 20.008 1069 1279 8 0.9895 -0.036 1071 1279 8 0.8072 17.974 944 1071 8 0.8018 27.047 1069 1071 8 0.8687 -18.011 1069 1276 8 0.9879 -18.066 1071 1276 8 0.8413 -0.056 138 182 9 1.0 -0.010 559 617 10 0.924 0.000 928 929 11 0.9881 1.003 2 4 12 0.8096 29.035 3 4 12 0.8896 28.031 4 5 12 0.8945 17.026 2 3 12 0.9345 1.003 3 5 12 0.9447 45.058 2 5 12 0.9164 46.061 957 975 13 0.9882 0.000 18 56 14 0.7747 14.991 24 56 14 0.8115 17.027 25 56 14 0.8543 16.023 27 56 14 0.9886 0.000 34 56 14 0.9392 -1.003 56 67 14 0.8697 -17.027 56 70 14 0.8905 -16.023 56 73 14 0.8599 1.003 18 24 14 0.7107 -2.035 24 25 14 0.8494 1.003 24 27 14 0.8424 17.027 24 34 14 0.8478 18.030 24 67 14 0.9222 0.000 24 70 14 0.89 1.004 24 73 14 0.8523 18.030 18 25 14 0.878 -1.032 18 27 14 0.8004 14.991 18 34 14 0.7902 15.995 18 70 14 0.7847 -1.032 18 73 14 0.7276 15.995 25 67 14 0.876 -1.003 27 67 14 0.8973 -17.027 34 67 14 0.893 -18.030 67 70 14 0.945 1.003 67 73 14 0.8791 18.030 25 27 14 0.8643 16.023 25 34 14 0.8109 17.027 25 70 14 0.917 0.000 25 73 14 0.796 17.027 27 73 14 0.8901 1.003 34 73 14 0.9267 0.000 70 73 14 0.8919 17.027 27 34 14 0.9492 1.003 27 70 14 0.9118 -16.023 34 70 14 0.9083 -17.026 311 362 15 0.971 -33.984 362 442 15 0.941 50.016 362 490 15 0.9416 50.016 362 499 15 0.8499 50.016 362 510 15 0.8567 50.016 362 686 15 0.9174 -15.995 362 865 15 0.8516 60.036 865 1124 15 0.7808 -50.027 286 499 15 0.8357 16.031 311 499 15 0.8474 16.031 442 499 15 0.9169 0.000 490 499 15 0.9151 0.000 499 510 15 0.991 0.000 499 686 15 0.8099 -66.010 499 691 15 0.8634 26.016 499 695 15 0.8619 26.016 499 822 15 0.8398 40.031 286 311 15 0.9837 0.000 311 442 15 0.9426 16.031 311 490 15 0.9427 16.031 311 510 15 0.8545 16.031 311 686 15 0.9216 -49.979 311 691 15 0.9661 42.047 311 695 15 0.969 42.047 311 822 15 0.9567 56.062 286 490 15 0.9325 16.031 442 490 15 0.9922 -0.000 490 510 15 0.9214 0.000 490 686 15 0.8836 -66.010 490 691 15 0.9574 26.016 490 695 15 0.9545 26.016 490 822 15 0.9504 40.031 286 442 15 0.9308 16.031 442 510 15 0.9203 0.000 442 686 15 0.8843 -66.010 442 691 15 0.9544 26.016 442 695 15 0.9489 26.016 442 822 15 0.9472 40.031 286 510 15 0.8428 16.031 286 686 15 0.9017 -49.979 286 691 15 0.9664 42.047 286 695 15 0.9682 42.047 286 822 15 0.9561 56.062 286 865 15 0.8419 26.052 510 691 15 0.87 26.016 510 695 15 0.8631 26.016 510 822 15 0.8456 40.031 686 865 15 0.854 76.031 691 865 15 0.872 -15.995 695 865 15 0.8815 -15.995 822 865 15 0.8781 -30.011 686 691 15 0.9094 92.026 691 695 15 0.9831 -0.000 691 822 15 0.9888 14.016 686 695 15 0.9231 92.026 686 822 15 0.9107 106.042 695 822 15 0.984 14.016 1492 1509 16 0.8998 0.000 871 1118 17 0.7473 42.047 1118 1437 17 0.7416 -156.101 945 1290 18 0.8219 0.948 1206 1207 19 0.988 1.003 1207 1242 19 0.9365 14.041 1207 1272 19 0.9177 14.041 1206 1246 19 0.9401 14.041 1242 1246 19 0.9831 -1.003 1246 1272 19 0.9899 1.003 1246 1298 19 0.9668 1.003 1033 1051 19 0.7057 -40.031 1033 1272 19 0.9092 54.011 1121 1272 19 0.8731 28.031 1242 1272 19 0.9896 0.000 1272 1298 19 0.9632 0.000 1206 1374 19 0.8083 -86.976 1229 1374 19 0.785 -18.010 1374 1376 19 0.9809 -1.003 1033 1298 19 0.9388 54.011 1121 1298 19 0.8484 28.031 1242 1298 19 0.9798 0.000 1033 1121 19 0.7952 25.979 1121 1242 19 0.8797 28.031 1033 1242 19 0.9144 54.011 121 127 20 0.7126 -14.016 110 111 21 0.9937 -1.003 372 390 22 0.9863 1.003 372 414 22 0.9972 0.000 1039 1043 23 0.9853 0.000 730 754 24 0.9921 0.000 729 733 24 0.7713 -135.975 733 743 24 0.9919 0.000 733 753 24 0.765 135.975 733 754 24 0.742 67.987 733 772 24 0.988 0.000 733 783 24 0.7608 135.975 733 798 24 0.989 0.000 743 772 24 0.9923 0.000 754 772 24 0.7559 -67.987 768 772 24 0.7528 -67.987 772 783 24 0.7987 135.975 772 798 24 0.9982 0.000 729 768 24 0.9874 -67.987 753 768 24 0.9887 -67.987 754 768 24 0.9857 0.000 763 768 24 0.9089 -135.975 768 783 24 0.9825 67.987 768 798 24 0.7444 -67.987 729 743 24 0.7773 -135.975 743 753 24 0.7724 135.975 743 754 24 0.7301 67.987 743 763 24 0.8453 203.962 743 783 24 0.7673 135.975 743 798 24 0.994 0.000 729 753 24 0.9979 0.000 729 754 24 0.9926 -67.987 729 783 24 0.993 0.000 754 798 24 0.746 -67.987 783 798 24 0.7858 -135.975 753 754 24 0.9936 -67.987 753 783 24 0.9926 0.000 752 763 24 0.9737 0.000 754 763 24 0.9117 135.975 763 783 24 0.9244 -67.987 1136 1168 25 0.9395 0.000 228 229 26 0.9728 -1.003 820 858 27 0.8715 -0.000 371 392 28 0.9795 0.000 129 131 29 0.9824 1.998 83 84 30 0.8787 18.010 84 86 30 0.9654 -1.003 83 86 30 0.8619 17.007 378 380 31 0.9243 17.027 378 384 31 0.9249 17.027 378 415 31 0.9243 17.027 380 415 31 0.9938 0.000 384 415 31 0.9998 0.000 380 384 31 0.9936 0.000 870 1259 33 0.7475 -0.036 361 679 34 0.8914 16.031 498 679 34 0.8761 2.016 678 679 34 0.9431 1.003 679 693 34 0.8841 -0.000 679 912 34 0.7593 10.021 361 498 34 0.8205 14.016 498 693 34 0.7507 2.015 498 912 34 0.7202 12.036 361 693 34 0.8579 16.031 678 693 34 0.7941 1.003 361 912 34 0.7334 26.052 995 998 35 0.7801 -257.102 842 850 36 0.9998 0.000 999 1003 37 0.9817 1.003 156 187 38 0.9542 0.000 573 621 39 0.9958 0.000 826 837 41 0.9555 -75.014 77 79 42 0.9714 -1.004 171 173 44 0.9438 1.004 1144 1150 45 0.8092 -17.956 nf_output/networking/clustersummary_with_network.tsv0000644000000000000000000006516714777455233022467 0ustar rootrootcluster index parent mass RTMean component #Scan# Compound_Name 1 124.08669564836464 0.884114 -1 2 709.5135709142155 0.9277029 12 3 708.5102830575064 0.92855316 12 4 680.4788218943072 0.94213986 12 5 663.4525341847894 0.94251555 12 5.0 Sarmentoside B 8 124.0866635483428 0.9758523 -1 13 338.3410184191165 0.94918865 -1 13.0 Spectral Match to 13-Docosenamide, (Z)- from NIST14 14 228.19530207513023 0.9487448 -1 14.0 MUCIC ACID 15 431.3836089366016 0.94785005 -1 16 171.14883588649835 0.96850353 -1 18 392.253772671759 0.95138794 14 19 144.98179283118262 0.9658699 -1 24 394.2890043118055 0.9663088 14 25 393.2855729410101 0.9663088 14 27 377.2624336443359 0.96850294 14 34 376.2589851838652 0.9727521 14 38 421.31661595485554 0.9779623 7 38.0 Topotecan HCl 39 88.07551193113026 0.97947496 -1 53 124.08666138918748 0.993165 -1 56 377.2624197988114 0.9718469 14 59 432.2372666227246 1.0112926 -1 62 421.3166253437647 0.97587925 7 63 387.179513993051 1.0174752 -1 64 404.206042018552 1.0174752 -1 66 88.07550968410891 0.9884599 -1 67 394.2889108048021 0.9842202 14 68 351.23847785630625 1.0211498 -1 70 393.2854598750544 0.9889083 14 73 376.25890207776246 0.99538916 14 74 288.2529471652366 1.0429213 -1 75 331.0807619477385 1.0405952 -1 77 326.3776187676901 1.0575842 42 78 171.14889188727136 1.0486741 -1 79 327.3810916038047 1.0591878 42 80 163.13257303241096 1.0823013 -1 81 393.2854036509345 1.0183046 -1 83 244.1904237605233 1.0973613 30 83.0 Brassylic acid - 40.0 eV 84 226.1798566023925 1.0981086 30 84.0 2-heptylhexanedioic acid CollisionEnergy:102040 85 266.17230843797444 1.0986773 -1 86 227.1831032067456 1.0987782 30 86.0 Spectral Match to 1,11-Undecanedicarboxylic acid from NIST14 87 304.29949433328 1.1027321 -1 88 305.30293167052633 1.1067916 -1 92 251.18498943129944 1.1416863 -1 93 124.08670965523844 1.1556855 -1 94 216.0559227001227 1.1569017 -1 95 214.04970061718825 1.1580465 -1 97 215.0529211514825 1.1586148 -1 98 212.14716102940864 1.1687001 1 98.0 Massbank:PR300811 Cyclo(proline-leucine) 99 258.2788169776792 1.167492 -1 100 88.07553334535379 1.1669827 -1 101 180.10163704706503 1.1693052 -1 102 259.28220830541363 1.1698533 -1 103 211.143882330612 1.1725975 1 103.0 Massbank:PR311142 Cyclo(leucylprolyl) 104 367.2087928080393 1.1786896 -1 106 164.07039862833477 1.1870936 -1 107 245.1281492380409 1.1915327 1 107.0 cyclo(L-Phe-D-Pro) 108 284.13905400436323 1.1924504 -1 110 230.2476229409027 1.208052 21 110.0 Harmaline 111 231.2509189682441 1.2119467 21 111.0 Harmaline 113 245.1282150522416 1.2145875 1 113.0 cyclo(L-Phe-D-Pro) 114 197.1282601988709 1.232969 1 114.0 cyclo(L-Val-L-Pro) 115 200.23706200725795 1.2285993 -1 116 402.3573877818645 1.2316772 -1 117 144.04758008856655 1.2390124 -1 119 284.1390667992057 1.1856359 -1 120 110.05986025284652 1.3090072 -1 121 156.10173858023458 1.2697691 20 122 590.2061363974616 1.27046 -1 123 138.09113936072484 1.286875 -1 124 96.0442997411288 1.286875 -1 125 162.06601688304164 1.2898526 -1 127 170.11734099333302 1.2949688 20 127.0 1,5-diethyl-1H-pyrazole-4-carboxylic acid 128 210.1097480469689 1.3193958 -1 129 146.98014902199242 1.2979198 29 130 197.12825593496416 1.2959038 1 130.0 cyclo(L-Val-L-Pro) 131 144.98196187706563 1.3213226 29 135 169.07576992147565 1.3398076 -1 137 246.1519543589688 1.3437899 2 138 195.11265710236808 1.3443106 9 140 154.0860441472675 1.3451465 -1 142 110.0598549901638 1.3488079 -1 148 243.14891618061824 1.3506924 -1 151 126.05477443803215 1.3522042 -1 152 100.07552017645202 1.3522406 -1 156 283.12204191444454 1.3535328 38 166 298.0965493713124 1.3567747 4 166.0 5'-METHYLTHIOADENOSINE 167 227.17513409439653 1.3601131 -1 170 239.1486489095845 1.3637681 -1 171 332.20810646332137 1.3653196 44 173 331.2046411437328 1.3668481 44 175 353.18635058440617 1.3700385 -1 177 124.08674078601246 1.378172 -1 178 123.05520806435112 1.3835589 -1 181 224.07373638627203 1.3882531 2 182 195.1224565621741 1.3905834 9 184 210.1097363228984 1.3884922 -1 187 283.1220435150896 1.3583255 38 190 195.11287983767883 1.3899492 -1 191 249.13438273444345 1.4200606 -1 192 105.06971063859694 1.4354923 -1 193 393.28554314722027 1.3910813 -1 195 124.08674995537856 1.3871161 -1 196 393.28567548041735 1.4236475 -1 197 151.09631717250656 1.4888855 -1 198 348.14383698933153 1.4761354 -1 199 375.0811540275393 1.489473 -1 201 353.0992471828444 1.4867625 -1 202 337.03648815326005 1.5395262 -1 203 321.06256590229526 1.5395222 -1 204 298.0966397086858 1.6940964 -1 205 190.08951118437503 1.7135324 2 206 144.98195244122175 1.9972055 -1 207 190.0894178152409 1.9916908 2 208 146.08097871921322 1.9896737 -1 209 267.1449176772506 1.9950703 -1 210 152.07041948711262 2.0314512 -1 211 170.08106776554337 2.0327005 -1 212 171.08430196994564 2.037283 -1 213 331.2046255896961 2.049584 -1 214 212.10276003144267 2.2255604 -1 215 176.07386576343754 2.2393477 2 216 395.1961437435049 2.25555 -1 217 171.07623002808543 2.4603689 -1 218 136.06166758377617 2.4618294 -1 219 162.99758522735817 2.464494 -1 220 176.07378886026444 2.466533 2 221 212.1027452521681 2.4712422 -1 222 234.0846850483877 2.4712543 -1 224 251.1500001009124 2.490054 -1 225 170.08096549677393 2.497286 -1 227 242.09971739527816 2.5311325 -1 228 220.11781080236509 2.5324228 26 228.0 D-PANTOTHENIC ACID - 40.0 eV 229 221.1210520053073 2.5324228 26 229.0 D-PANTOTHENIC ACID - 40.0 eV 231 137.04566565562763 2.61302 -1 232 167.09253949646646 2.6150174 -1 233 159.02756167849526 2.6262987 -1 234 175.00145180579432 2.6233456 -1 235 83.06022538821384 2.6915092 -1 236 159.02754096432605 2.6711876 -1 238 269.1074820276356 2.733594 4 238.0 Massbank:RP010902 Adenosine|(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol 239 136.06159150189967 2.7327607 -1 240 268.103853951424 2.735583 4 240.0 ADENOSINE 241 124.0867204867036 2.7465951 -1 242 206.04549179878435 2.7396824 -1 246 169.05813466701616 2.7622888 -1 247 147.07620312825443 2.7634428 -1 249 251.14995309511343 2.8096216 -1 250 124.08672952186082 2.7857726 -1 251 166.07212983034697 2.8522704 -1 252 86.09628372212455 2.8936963 -1 253 162.0582063782167 2.922553 2 254 158.08114129553522 3.0417824 -1 255 124.03925425687731 3.3331635 -1 256 131.11768354659372 3.5462894 -1 259 147.03008748928804 3.6102345 2 265 237.1342771902892 3.554259 -1 268 104.10690922607166 3.615613 -1 270 105.1101628079843 3.5773337 -1 276 356.99219855042145 3.6094525 -1 277 257.10061043785606 3.6021051 -1 278 235.11878342337727 3.6104362 1 278.0 Spectral Match to His-Pro from NIST14 279 104.10691140742011 3.6254394 -1 281 146.02691561369866 3.617239 2 282 189.99069726862683 3.6186962 -1 284 104.10691151684348 3.6318386 -1 285 105.11016638499711 3.6433537 -1 286 270.1921498403816 3.6826499 15 289 307.0436219791634 3.8853528 -1 297 291.0697298907951 3.9010928 -1 298 257.1006228106187 3.904753 -1 299 270.1921248236023 3.9918861 -1 305 235.11874356344256 3.9848194 1 305.0 Cyclo(-His-Pro) 307 146.02687268396707 3.9806588 2 308 314.09137691435643 3.989151 -1 310 269.0877500718245 3.9971244 -1 311 270.1921288646996 3.9987442 15 313 137.04561392556303 4.0023994 -1 314 268.1037209235785 4.003829 -1 315 163.05335215225128 4.0424848 2 315.0 N-Acetyl-L-cysteine - 40.0 eV 317 152.05653168599866 4.009559 -1 321 148.04256672639687 4.012652 2 324 213.08672615987487 4.018884 -1 334 245.18571573726567 4.136272 -1 345 134.11737910350053 4.1628757 -1 348 163.0533777453292 4.1968255 2 348.0 N-Acetyl-L-cysteine - 40.0 eV 349 137.04558546014155 4.19949 -1 352 268.1037602942401 4.2119775 -1 353 229.118040650464 4.229315 -1 353.0 Spectral Match to PyroGlu-Val from NIST14 354 245.18574102113112 4.2097106 -1 356 200.10278438614216 4.2574863 -1 357 268.1037589105309 4.217879 -1 358 270.1922424181455 4.279421 -1 359 189.99075931378115 4.327314 -1 360 134.11743645494067 4.2845025 -1 361 242.18611577228643 4.3433714 34 362 304.1765208263302 4.7402077 15 363 172.13294299742864 4.7589955 -1 364 189.9905913432856 4.772744 -1 367 159.09139985691644 4.8108883 -1 371 120.08061352243423 4.8438725 28 372 167.08935800092092 4.845658 22 372.0 Phenylalanine - 40.00 eV 373 266.07438437754746 4.819725 -1 375 249.0607079423268 4.8210406 -1 378 205.09695945152035 4.8233333 31 378.0 Massbank:KO004073 Trp|Tryptophan|L-Tryptophan|(S)-alpha-Amino-beta-(3-indolyl)-propionic acid 380 188.07038343865275 4.8246927 31 380.0 Spectral Match to L-Tryptophan from NIST14 384 188.07038967593124 4.8265615 31 385 266.07438495902727 4.8215938 -1 390 166.08609631348253 4.846532 22 390.0 Phenylalanine 391 146.02679892343698 4.84755 2 392 120.08061021815044 4.850492 28 393 176.11331845539647 4.850525 -1 405 124.08671779184456 4.861618 -1 406 242.18597353886392 4.893828 -1 414 167.0893640074416 4.8583703 22 414.0 Phenylalanine - 40.00 eV 415 188.070370874549 4.853523 31 432 132.10181358254428 5.070786 1 439 134.10843493246685 5.0749183 1 440 133.10514633013727 5.075796 1 441 132.10180873486888 5.0757966 -1 442 254.16086399050823 5.076235 15 444 86.09634855868607 5.0771127 -1 460 231.1700284982437 5.157729 1 460.0 Spectral Match to Leu-Val from NIST14 462 86.09635085819752 5.0803976 -1 464 132.1018131478376 5.079959 -1 465 133.10514770247934 5.0799584 1 465.0 D-LEUCINE 466 134.10843686992123 5.079081 1 471 231.17003514728088 5.1624675 1 471.0 Spectral Match to Leu-Val from NIST14 472 177.068867688938 5.0954223 -1 476 146.02680791872297 5.2020907 2 482 170.06097130330835 5.208097 -1 485 322.054438749271 5.261234 -1 486 306.0806507387645 5.269045 -1 487 284.09869474213104 5.2824006 -1 490 254.1609829416835 5.2925267 15 498 228.1703774765928 5.428404 34 499 254.16093846752423 5.4288635 15 500 176.06557454370355 5.4312606 -1 501 86.09634303157317 5.453327 -1 502 132.10179944532445 5.452833 1 505 133.10515142846097 5.4484563 1 505.0 ISOLEUCINE 506 132.10179448037488 5.4554677 1 507 86.09633268244676 5.4559617 -1 508 192.0394553458964 5.4579144 -1 510 254.160928157678 5.431993 15 518 208.01345244401543 5.4915414 -1 529 122.9244093086683 5.570595 -1 530 458.7694151411931 5.5711894 -1 532 206.88568577248728 5.572176 -1 534 542.7307149004203 5.5728345 -1 537 290.8469756666516 5.574323 -1 539 292.84486404160776 5.57543 -1 546 118.086136282161 5.6935368 -1 547 119.08943078666724 5.6957307 -1 549 158.03999253356488 5.6885877 -1 558 118.08614084735753 5.695406 -1 559 156.0419594783285 5.700437 10 561 133.10503503876865 5.7478676 -1 563 119.08942925468972 5.6976 -1 564 235.1649571996301 5.6980495 -1 573 273.1208172600843 5.7226243 39 573.0 Phloretin 586 150.0580937823089 5.736668 8 586.0 METHIONINE 587 257.14684101952525 5.737107 -1 591 163.05338891159045 5.738424 2 591.0 N-Acetyl-L-cysteine - 40.0 eV 603 107.0714836044441 5.7414956 -1 604 136.05042953346918 5.741495 -1 606 153.07702607515895 5.742373 8 606.0 IS_METHIONINE-METHYL-D3 609 201.00917974363804 5.743689 -1 617 156.04195771190652 5.7104034 10 621 273.12082086293464 5.7262015 39 622 132.10170818206214 5.7288346 1 628 133.10504212972964 5.765699 1 640 217.15447541961305 5.817688 1 640.0 Spectral Match to Val-Val from NIST14 659 203.13879992661973 5.825148 -1 660 215.13885933944832 5.825148 1 674 138.0547721930798 5.8345313 -1 678 227.15804343513688 5.843843 34 678.0 Spectral Match to PyroGlu-Pro from NIST14 679 226.1548276939271 5.84388 34 683 118.08618244730933 5.818649 -1 685 197.040867463821 5.8871245 -1 686 320.17136170937744 5.910408 15 686.0 Eniporide 687 115.08651467149711 5.9351325 -1 688 137.06841851907743 5.936834 -1 690 265.11149031603264 5.9485784 -1 691 228.14534892007973 6.0084243 15 691.0 AmilorideHCl 693 226.1548933204581 6.043236 34 695 228.1454157073448 6.1668887 15 695.0 AmilorideHCl 698 118.08615791324712 6.2560725 -1 698.0 L-VALINE - 20.0 eV 699 132.10171546003687 6.300898 -1 700 133.10509747646654 6.288588 -1 701 153.07699495948592 6.2302094 8 708 298.02467259368444 6.2890944 -1 710 162.0499397667938 6.361732 -1 711 118.08612947184405 6.2692437 -1 713 90.976550099308 6.411321 -1 717 133.10506197129337 6.3418784 -1 723 132.10170322970416 6.3238697 -1 729 430.9133167798752 6.445311 24 730 498.9006283059093 6.4422398 24 733 566.887996552571 6.4444346 24 742 162.049928906656 6.3924384 -1 743 566.8879974709893 6.465941 24 744 298.0246176631577 6.392486 -1 746 90.9765516798645 6.4571624 -1 752 362.925952839678 6.459356 24 753 430.91332032039486 6.4764752 24 754 498.9006293329196 6.464187 24 760 430.9133173583412 6.47867 -1 763 362.9259521619515 6.46155 24 768 498.9006350513378 6.4663815 24 772 566.8880079908274 6.4703307 24 774 226.95130605314407 6.4734025 -1 776 158.96391743043827 6.475264 -1 777 90.97655184812557 6.4699974 -1 783 430.913321997725 6.485361 24 797 498.9006368424921 6.481851 -1 798 566.8880087807638 6.490188 24 801 116.07045588148864 6.535134 -1 806 90.97654696859416 6.497805 -1 807 133.1050813977587 6.57356 -1 820 258.15586908713766 6.8444924 27 821 301.96555337204217 6.8449597 -1 822 214.12973993847905 6.8736024 15 826 376.979765282261 6.890302 41 833 308.9923908286443 6.898309 -1 835 173.09190815945408 6.8987 -1 836 165.99085411729348 6.9019084 -1 837 451.9939689509807 6.901796 41 842 122.02695576262852 6.907451 36 845 241.0309804045192 6.929818 2 845.0 L-cystine CollisionEnergy:102040 848 118.08612324531742 6.906456 -1 850 122.02695713603926 6.910003 36 853 208.1806931005108 6.967325 -1 857 226.95139637449867 7.056883 -1 858 258.156014085099 7.159303 27 859 104.07052981519426 7.1661315 -1 860 226.9514186720039 7.1463103 -1 861 245.9476010251665 7.220245 -1 862 201.9837410781343 7.2195973 -1 863 267.92949707305337 7.2172837 -1 864 90.05496978874557 7.6612244 -1 865 244.140503738826 7.6647267 15 866 230.14997669311865 7.6839995 -1 867 134.01883779940704 7.6638207 -1 868 328.0301594961641 7.9222236 -1 869 306.048316086854 7.914533 -1 870 285.1667082325685 7.933275 33 871 387.2709948049544 7.9394317 17 872 187.10747655608205 7.93947 -1 877 197.0894356361632 7.961445 -1 879 269.16060472372754 7.962421 1 879.0 Spectral Match to His-Ile from NIST14 880 346.05434588118914 7.9639306 -1 881 271.1510202898235 7.9642925 -1 890 129.06566925010313 7.9716926 -1 891 120.06545039741656 7.972265 -1 894 164.02922326766455 7.9790225 -1 895 133.10507612878197 7.9839897 -1 896 153.07696300828565 7.981729 -1 899 129.06566954676447 7.973686 -1 901 233.10652019611663 7.9997315 -1 904 217.12933749214804 8.017409 5 904.0 N-Acetyl-L-arginine 909 205.11810687589983 8.066115 -1 910 176.09158435507644 8.110695 -1 911 120.06538793621888 8.095319 8 912 216.13414402314515 8.137809 34 913 254.110947332547 8.13853 -1 918 142.09734305994664 8.155034 -1 919 247.12867941295664 8.191632 -1 920 203.11372007085788 8.203923 5 921 246.1446736791892 8.23056 -1 922 261.1443564364716 8.234616 1 922.0 Spectral Match to Ile-Met from NIST14 923 283.12626085214976 8.235302 -1 924 269.16066025719937 8.241423 1 924.0 Spectral Match to His-Ile from NIST14 925 226.9513300667016 8.252555 -1 926 118.0861033091863 8.375219 -1 927 244.0942511712273 8.360445 -1 928 201.1788423536045 8.363343 11 929 200.1756825779179 8.360786 11 930 226.9513188023629 8.36787 -1 931 217.1181167414713 8.373118 -1 932 265.12695885890884 8.393177 -1 933 365.105201429741 8.39588 -1 934 157.16978702908858 8.416748 -1 935 205.11817679551444 8.449443 -1 936 166.0531984049978 8.511632 -1 937 210.01689084731828 8.517229 -1 938 574.1288443930529 8.598261 -1 938.0 Spectral Match to Adenylyl(3'-5')cytidine from NIST14 939 188.03499184859004 8.604352 -1 940 166.05302736240878 8.598813 -1 941 147.07628217729822 8.606629 -1 942 169.0581892689462 8.606629 -1 944 175.10751430696803 8.61571 8 945 258.14458594133026 8.616849 18 949 106.0497993519311 8.619147 -1 951 227.09996497608665 8.619727 -1 953 365.1050858603464 8.622464 -1 954 277.03801398466214 8.624969 -1 957 230.1133787668119 8.627342 13 958 150.01357254868546 8.627431 -1 964 268.12651808851587 8.64582 -1 965 246.14460651871127 8.647682 -1 966 118.0860713755489 8.666564 -1 970 331.0597083994683 8.728163 -1 971 177.02446857919654 8.73112 -1 974 155.04258957375788 8.740393 -1 975 230.1133464625389 8.74039 13 979 133.0606595880094 8.745018 2 980 286.15069933735964 8.763644 5 980.0 Arg-C7:0 982 247.12860338588263 8.766978 1 982.0 Val-Glu 988 361.1977693027184 8.791953 5 994 296.0656615542094 8.852614 -1 995 280.0918526920189 8.8539295 35 998 537.1943231163153 8.85701 35 999 259.11326523868405 8.8587675 37 999.0 Choline Alfoscerate 1003 258.1099364516471 8.860084 37 1003.0 SN-GLYCERO-3-PHOSPHOCHOLINE 1009 153.07693685054173 8.865781 -1 1016 322.1869685406384 8.8856325 5 1016.0 Spectral Match to Arg-Phe from NIST14 1019 348.0696595688975 8.905177 -1 1019.0 AMP portion of methylmalonyl-CoA? and as listed by MoNA:3472824 Methylmalonyl-Coenzyme A 1020 156.14936280240056 8.929667 -1 1023 255.14499651185736 8.961529 1 1023.0 His-C6:0 1026 198.0847628014792 8.995751 -1 1027 176.1027959719887 8.99959 -1 1029 288.2028931457914 9.03741 5 1029.0 Spectral Match to Arg-Ile from NIST14 1030 289.2065919245926 9.038054 5 1030.0 Spectral Match to Arg-Ile from NIST14 1031 168.076587656824 9.039931 -1 1033 229.12936404392448 9.058728 19 1033.0 MGH2_methylglyoxal-derived hydroimidazolone 2 1034 251.11128458048435 9.060653 -1 1036 294.18102755142905 9.065932 1 1039 258.1447309396798 9.109013 23 1039.0 L-alpha-Glycerylphosphorylcholine - 40.0 eV 1040 365.1052316626935 9.099115 -1 1043 258.14458259952363 9.161549 23 1045 216.0629531114795 9.191652 -1 1048 238.04483266653563 9.194025 -1 1051 269.1604872451791 9.198629 19 1051.0 Spectral Match to Leu-His from NIST14 1053 260.19665861930304 9.201791 1 1053.0 Spectral Match to Lys-Leu from NIST14 1054 261.20006499413546 9.202691 1 1054.0 Spectral Match to Lys-Leu from NIST14 1067 149.06356867672196 9.225198 8 1067.0 Glutamate - 40.00 eV 1069 130.04972503456412 9.2256365 8 1071 148.06031941955982 9.226085 8 1071.0 Glutamate - 40.00 eV 1079 288.2028125859761 9.241891 5 1079.0 Spectral Match to Arg-Ile from NIST14 1085 221.112942320711 9.250683 1 1096 366.10847337323975 9.300052 -1 1099 365.1051586729516 9.302187 -1 1100 118.08606206806408 9.277427 -1 1102 360.149656817636 9.311521 1 1102.0 Spectral Match to Leu-Val-Lys from NIST14 1107 359.26492669564453 9.318966 1 1107.0 Spectral Match to Leu-Val-Lys from NIST14 1111 260.1967063364553 9.344571 1 1111.0 Spectral Match to Lys-Leu from NIST14 1112 261.2001203040639 9.346213 1 1112.0 Spectral Match to Lys-Leu from NIST14 1113 433.0925277310742 9.346755 -1 1118 345.22421788168214 9.386636 17 1121 203.1501620783906 9.454228 19 1121.0 N,N-dimethylarginine 1122 188.1755993548724 9.460129 -1 1124 294.16712720772256 9.486702 15 1125 335.0339660433254 9.493368 -1 1126 313.0520546222224 9.502534 2 1127 289.206630553843 9.5099125 5 1127.0 Spectral Match to Ile-Arg from NIST14 1128 288.2029258528593 9.509217 5 1128.0 Spectral Match to Ile-Arg from NIST14 1131 218.18619761371053 9.525903 -1 1132 306.06162796412696 9.547405 5 1133 188.17558642399584 9.518045 -1 1133.0 Massbank:KO002270 N8-Acetylspermidine 1134 260.1967002040386 9.570424 1 1134.0 Spectral Match to Lys-Ile from NIST14 1135 306.1592562972893 9.571097 5 1136 284.0796833657358 9.646189 25 1137 324.0588200527568 9.649519 -1 1138 219.09737415252712 9.655475 1 1139 148.0602834766663 9.6562 -1 1141 154.01670024274702 9.662093 -1 1143 195.04322321426469 9.665049 -1 1144 290.1344649431372 9.675607 45 1144.0 OPHTHALMATE 1145 283.04150739594115 9.690609 2 1149 207.0973923543056 9.729797 -1 1150 308.09087390128616 9.73265 45 1150.0 GLUTATHIONE REDUCED 1151 613.1510753489329 9.735156 -1 1155 317.2180748441611 9.774086 1 1157 260.1966837829511 9.806193 1 1157.0 Spectral Match to Ile-Lys from NIST14 1159 345.2493190320606 9.83373 1 1163 282.1180701017672 9.848723 -1 1164 219.0973471625064 9.852621 -1 1164.0 5875-41-2 1165 248.1238681918581 9.854269 1 1167 262.90666776551785 9.858233 -1 1168 284.0795670488393 9.863204 25 1171 134.04468296663256 9.863805 2 1172 142.94789363209495 9.862807 -1 1174 249.107884486856 9.871725 1 1174.0 Spectral Match to Thr-Met from NIST14 1175 274.18716937581314 9.873346 5 1175.0 Arg-C6:0 1181 338.1819343706756 9.884996 5 1185 175.14390259797082 9.938897 -1 1187 156.07665515382126 9.965302 1 1187.0 L-HISTIDINE - 20.0 eV 1188 178.05845818353518 9.965835 -1 1189 110.07110800895867 9.96585 -1 1192 157.07990648632463 9.970797 1 1192.0 Massbank:RP002001 L-Histidine|(2S)-2-azaniumyl-3-(1H-imidazol-5-yl)propanoate 1195 246.1809879902873 9.996257 1 1195.0 Lys-C6:0 1201 299.0363071280015 10.030114 2 1205 310.17584025335856 10.059572 1 1206 190.1628070441479 10.089722 19 1206.0 """NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE""" 1207 189.15962556992508 10.091929 19 1207.0 """NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE""" 1208 275.1908113067463 10.101804 5 1208.0 Spectral Match to Val-Arg from NIST14 1209 274.18718518067203 10.102931 5 1209.0 Spectral Match to Val-Arg from NIST14 1211 364.0649234803579 10.105504 -1 1216 227.11370840600603 10.148948 1 1216.0 Candidate Histidine-C4:0 (delta mass:70.0409) 1219 195.0254494451458 10.179174 -1 1220 323.0839267608916 10.180491 -1 1224 237.05378657328663 10.185353 -1 1229 259.12865594655494 10.204153 19 1234 235.09230901827425 10.252195 1 1239 472.2874612980231 10.308299 -1 1242 175.11882033505466 10.356683 19 1242.0 Massbank:PB000419 Arginine|2-amino-5-(diaminomethylideneamino)pentanoic acid 1243 349.23023603947246 10.357158 -1 1244 371.2121607007718 10.357639 -1 1246 176.12211343714353 10.358672 19 1246.0 Massbank:PB000420 Arginine|2-amino-5-(diaminomethylideneamino)pentanoic acid 1249 197.1006803958095 10.360531 -1 1251 130.09729229124068 10.370269 -1 1252 246.18095223184145 10.376628 1 1252.0 Val-Glu 1254 364.0649180883176 10.324018 -1 1256 272.1714484795354 10.424933 5 1256.0 Arg-C6:0 1258 257.1242348570159 10.465497 1 1259 285.2030842021909 10.469291 33 1260 156.0765780966775 10.469985 -1 1261 442.74712460313145 10.470643 -1 1263 347.228682719869 10.512813 1 1264 303.20249423925924 10.522915 1 1266 213.09809375538885 10.5390005 1 1267 589.1399646335841 10.551182 -1 1271 156.07656270160743 10.643449 -1 1272 175.11883104950437 10.63616 19 1272.0 Massbank:PB000419 Arginine|2-amino-5-(diaminomethylideneamino)pentanoic acid 1276 148.11599366591082 10.651277 8 1278 191.0764758726229 10.651727 -1 1279 130.0861855729082 10.652225 8 1280 84.08064494962149 10.652238 -1 1281 147.1127199612054 10.652242 8 1283 169.09453102570544 10.654132 -1 1289 244.16534762312872 10.664137 1 1290 257.1969723050618 10.6713915 18 1293 133.09706985780863 10.722098 -1 1293.0 ISOLEUCINE - 60.0 eV 1295 116.07050095631276 10.722583 -1 1296 489.2762008111585 10.794624 -1 1298 175.11881153058343 10.751388 19 1298.0 Massbank:PB000419 Arginine|2-amino-5-(diaminomethylideneamino)pentanoic acid 1310 304.03932259922425 10.842536 -1 1317 283.06144442783113 10.857608 2 1318 563.1074885117305 10.858048 -1 1320 282.05750541230793 10.858509 2 1321 284.0531507149704 10.858556 2 1324 163.05334706421047 10.861239 2 1324.0 N-Acetyl-L-cysteine - 40.0 eV 1330 237.0359682970429 10.877342 -1 1334 175.1187171353388 10.861039 -1 1336 241.03078940211464 10.946838 -1 1342 246.1559001157775 10.92701 5 1342.0 Arg-C4:0 1345 247.15931781669644 10.927976 5 1345.0 Arg-C4:0 1346 243.1085915333856 10.930374 -1 1348 163.0534682624983 10.963395 2 1348.0 N-Acetyl-L-cysteine - 40.0 eV 1349 241.0308201955841 10.969333 -1 1350 158.91554905353604 10.985007 -1 1352 284.0795279906775 11.007104 2 1353 285.1191553590796 11.007634 2 1354 218.14977569757968 11.019916 1 1354.0 Massbank:KO002290 b-Ala-Lys|beta-Alanyl-L-lysine|beta-Ala-Lys 1355 276.1666669024399 11.127444 5 1355.0 Spectral Match to Val-Arg from NIST14 1356 277.17032556111366 11.130445 5 1360 270.11951370352017 11.143098 -1 1361 477.7683038765202 11.143561 -1 1362 218.149918302188 11.197883 1 1362.0 Massbank:KO002289 b-Ala-Lys|beta-Alanyl-L-lysine|beta-Ala-Lys 1364 175.11883005279304 11.212697 -1 1365 248.16044847300984 11.214851 1 1366 241.03097143373472 11.219297 -1 1367 232.14043462663736 11.221642 5 1369 282.057543479596 11.168553 2 1370 313.18703563912146 11.3278265 -1 1371 248.1605684094749 11.336497 1 1371.0 Spectral Match to Lys-Val from NIST14 1374 277.1390483125494 11.51134 19 1374.0 Spectral Match to L-Saccharopine from NIST14 1376 278.1423901329732 11.513539 19 1376.0 ReSpect:PT105020 L-saccharopine|epsilon-N-(L-glutar-2-yl)-L-lysine|N6-(L-1,3-dicarboxylpropyl)-L-lysine|(2S)-2-[[(5S)-5-amino-6-hydroxy-6-oxohexyl]amino]pentanedioic acid 1377 282.057449726996 11.514416 2 1378 304.16126122413266 11.517955 5 1378.0 Arg-Lys 1388 262.1506913923568 11.531592 5 1389 204.13402659101504 11.532012 1 1389.0 Glycyl-l-glutamine 1407 276.1550226035785 11.559689 1 1407.0 Massbank:KO002982 Glu-Glu 1409 241.03094338850485 11.5610075 2 1409.0 CYSTINE 1415 243.02678201103345 11.562327 2 1415.0 CYSTINE 1426 303.1772234383022 11.568047 5 1426.0 Arg-Lys 1437 251.166119732511 11.585159 17 1457 275.1710225348117 11.613685 1 1457.0 Lys-C8:0 1466 263.0128023889946 11.642216 5 1469 278.98660980913854 11.648937 -1 1471 396.2363286809719 11.677346 -1 1473 234.1446648417694 11.690246 1 1485 261.15555602427605 11.726382 -1 1485.0 HMDB:HMDB04987-2424 Alpha-Aspartyl-lysine 1487 289.1616430518823 11.733912 5 1487.0 Spectral Match to Arg-Ile from NIST14 1488 182.9849459620996 11.736179 -1 1492 304.02686844036094 11.8071165 16 1499 151.03510544906462 11.850545 3 1503 278.9867347050311 11.727371 -1 1509 304.0269243781329 11.844499 16 1510 151.03514920449794 11.8673315 3 1515 376.2189013075872 11.939273 -1 1521 473.3444755147893 12.102442 -1 1522 298.05247964856613 12.136988 2 1523 173.13408485930873 12.497563 -1 1524 427.0952727376404 12.633031 2 1525 182.98494465025965 12.898163 -1 1527 167.01271717741983 12.917134 -1 1528 255.94395639690367 12.917243 -1 1530 385.9017133531906 12.921013 -1 1531 143.99665492800966 12.922867 -1 1533 125.98620278672723 12.925508 -1 1536 282.9047940378916 12.953278 -1 1539 491.7875226546853 13.435786 -1 1540 167.01272908201915 14.068723 -1 1541 241.03094812769385 14.083734 -1 1542 125.9861272213276 14.077281 -1 1543 241.03092328785684 14.2579565 -1 1544 125.98610652607104 14.2632475 -1 1545 125.9860987016528 14.282119 -1 1546 167.01266837053672 14.29509 -1 1547 241.03092878208284 14.737781 -1 1548 241.03095848676367 15.381517 -1 1549 241.03092431621664 15.560758 2 1549.0 CYSTINE 1550 125.98607678073093 19.125986 -1 1551 125.986068468798 19.237349 -1 nf_output/networking/network.graphml0000644000000000000000000100421014777455240017050 0ustar rootroot 273.1208 5.73 5.73 0 39 149.0636 9.23 9.23 0 8 Glutamate - 40.00 eV N[C@@H](CCC(O)=O)C(O)=O InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 376.9798 6.89 6.89 0 41 306.1593 9.57 9.57 0 5 251.1661 11.59 11.59 0 17 147.0301 3.61 3.61 0 2 248.1239 9.85 9.85 0 1 246.1559 10.93 10.93 0 5 Arg-C4:0 CCCC(NC(C(O)=O)CCCNC(N)=N)=O InChI=1S/C10H20N4O3/c1-2-4-8(15)14-7(9(16)17)5-3-6-13-10(11)12/h7H,2-6H2,1H3,(H,14,15)(H,16,17)(H4,11,12,13) 247.1286 8.77 8.77 0 1 Val-Glu [C@H](NC([C@H](C(C)C)N)=O)(CCC(O)=O)C(O)=O InChI=1S/C10H18N2O5/c1-5(2)8(11)9(15)12-6(10(16)17)3-4-7(13)14/h5-6,8H,3-4,11H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)/t6-,8-/m0/s1 258.1099 8.86 8.86 0 37 SN-GLYCERO-3-PHOSPHOCHOLINE C[N+](C)(C)CCOP(=O)([O-])OC[C@H](CO)O "InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/t8-/m0/s1" 566.888 6.44 6.44 0 24 122.027 6.91 6.91 0 36 566.888 6.47 6.47 0 24 241.0309 15.56 15.56 0 2 CYSTINE N[C@@H](CSSC[C@H](N)C(O)=O)C(O)=O "InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1" 304.0269 11.81 11.81 0 16 167.0894 4.86 4.86 0 22 Phenylalanine - 40.00 eV N[C@@H](CC1=CC=CC=C1)C(O)=O InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1 163.0534 5.74 5.74 0 2 N-Acetyl-L-cysteine - 40.0 eV CC(=O)N[C@@H](CS)C(=O)O InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1 247.1593 10.93 10.93 0 5 Arg-C4:0 CCCC(NC(C(O)=O)CCCNC(N)=N)=O InChI=1S/C10H20N4O3/c1-2-4-8(15)14-7(9(16)17)5-3-6-13-10(11)12/h7H,2-6H2,1H3,(H,14,15)(H,16,17)(H4,11,12,13) 226.1799 1.1 1.1 0 30 2-heptylhexanedioic acid CollisionEnergy:102040 CCCCCCCC(CCCC(=O)O)C(=O)O "InChI=1S/C13H24O4/c1-2-3-4-5-6-8-11(13(16)17)9-7-10-12(14)15/h11H,2-10H2,1H3,(H,14,15)(H,16,17)" 282.0575 10.86 10.86 0 2 220.1178 2.53 2.53 0 26 D-PANTOTHENIC ACID - 40.0 eV 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) 376.2589 1.0 1.0 0 14 376.259 0.97 0.97 0 14 288.2028 9.24 9.24 0 5 Spectral Match to Arg-Ile from NIST14 CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CCCN=C(N)N)N InChI=1S/C12H25N5O3/c1-3-7(2)9(11(19)20)17-10(18)8(13)5-4-6-16-12(14)15/h7-9H,3-6,13H2,1-2H3,(H,17,18)(H,19,20)(H4,14,15,16)/t7-,8-,9-/m0/s1 275.1908 10.1 10.1 0 5 Spectral Match to Val-Arg from NIST14 nan nan 228.1453 6.01 6.01 0 15 AmilorideHCl C1(=C(N=C(C(=N1)Cl)N)N)C(=O)N=C(N)N InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15) 304.0269 11.84 11.84 0 16 345.2242 9.39 9.39 0 17 498.9006 6.46 6.46 0 24 258.1447 9.11 9.11 0 23 L-alpha-Glycerylphosphorylcholine - 40.0 eV C[N+](C)(C)CCOP(=O)([O-])OC[C@@H](CO)O InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/t8-/m1/s1 226.1548 5.84 5.84 0 34 257.1242 10.47 10.47 0 1 156.1017 1.27 1.27 0 20 327.3811 1.06 1.06 0 42 150.0581 5.74 5.74 0 8 METHIONINE CSCC[C@@H](C(=O)O)N "InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1" 268.1039 2.74 2.74 0 4 ADENOSINE C([C@@H]1[C@H]([C@H]([C@H](N2C=NC3=C2N=CN=C3N)O1)O)O)O "InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1" 217.1293 8.02 8.02 0 5 N-Acetyl-L-arginine CC(=O)N[C@@H](CCCN=C(N)N)C(=O)O "InChI=1S/C8H16N4O3/c1-5(13)12-6(7(14)15)3-2-4-11-8(9)10/h6H,2-4H2,1H3,(H,12,13)(H,14,15)(H4,9,10,11)/t6-/m0/s1" 566.888 6.47 6.47 0 24 148.116 10.65 10.65 0 8 212.1472 1.17 1.17 0 1 Massbank:PR300811 Cyclo(proline-leucine) CC(C)CC1N=C(O)C2CCCN2C1=O 1S/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14) 245.1281 1.19 1.19 0 1 cyclo(L-Phe-D-Pro) nan nan 430.9133 6.49 6.49 0 24 246.181 10.38 10.38 0 1 Val-Glu [C@H](NC([C@H](C(C)C)N)=O)(CCC(O)=O)C(O)=O InChI=1S/C10H18N2O5/c1-5(2)8(11)9(15)12-6(10(16)17)3-4-7(13)14/h5-6,8H,3-4,11H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)/t6-,8-/m0/s1 221.1211 2.53 2.53 0 26 D-PANTOTHENIC ACID - 40.0 eV 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) 394.2889 0.98 0.98 0 14 170.1173 1.29 1.29 0 20 1,5-diethyl-1H-pyrazole-4-carboxylic acid CCc1c(C(=O)O)cnn1CC InChI=1S/C8H12N2O2/c1-3-7-6(8(11)12)5-9-10(7)4-2/h5H,3-4H2,1-2H3,(H,11,12) 230.1133 8.74 8.74 0 13 203.1137 8.2 8.2 0 5 151.0351 11.85 11.85 0 3 270.1921 4.0 4.0 0 15 255.145 8.96 8.96 0 1 His-C6:0 CCCCCC(NC(CC1=NC=CN1)C(O)=O)=O InChI=1S/C12H19N3O3/c1-2-3-4-5-11(16)15-9(12(17)18)8-10-13-6-7-14-10/h6-7,9H,2-5,8H2,1H3,(H,13,14)(H,15,16)(H,17,18) 259.1287 10.2 10.2 0 19 227.158 5.84 5.84 0 34 Spectral Match to PyroGlu-Pro from NIST14 C1CC(N(C1)C(=O)C2CCC(=O)N2)C(=O)O InChI=1S/C10H14N2O4/c13-8-4-3-6(11-8)9(14)12-5-1-2-7(12)10(15)16/h6-7H,1-5H2,(H,11,13)(H,15,16) 146.0269 3.62 3.62 0 2 176.0739 2.24 2.24 0 2 421.3166 0.98 0.98 0 7 Topotecan HCl C1(C=CC2C(C=1CN(C)C)=CC3=C(N=2)C4N(C3)C(C5=C(C=4)[C@](C(OC5)=O)(CC)O)=O)O.Cl InChI=1S/C23H23N3O5.ClH/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20;/h5-8,27,30H,4,9-11H2,1-3H3;1H/t23-;/m0./s1 394.289 0.97 0.97 0 14 235.0923 10.25 10.25 0 1 498.9006 6.47 6.47 0 24 132.1018 5.45 5.45 0 1 427.0953 12.63 12.63 0 2 304.1613 11.52 11.52 0 5 Arg-Lys NCCCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)O InChI=1S/C12H26N6O3/c13-6-2-1-5-9(11(20)21)18-10(19)8(14)4-3-7-17-12(15)16/h8-9H,1-7,13-14H2,(H,18,19)(H,20,21)(H4,15,16,17)/t8-,9-/m0/s1 257.197 10.67 10.67 0 18 190.1628 10.09 10.09 0 19 "NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE" C[N+](C)(C)CCCC[C@@H](C(=O)[O-])N "InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/t8-/m0/s1" 377.2624 0.97 0.97 0 14 134.1084 5.07 5.07 0 1 211.1439 1.17 1.17 0 1 Massbank:PR311142 Cyclo(leucylprolyl) O=C1NC(C(=O)N2CCCC12)CC(C)C 1S/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14) 243.0268 11.56 11.56 0 2 CYSTINE N[C@@H](CSSC[C@H](N)C(O)=O)C(O)=O "InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1" 283.122 1.36 1.36 0 38 269.1075 2.73 2.73 0 4 Massbank:RP010902 Adenosine|(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol NC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2=NC=N1 1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 317.2181 9.77 9.77 0 1 163.0535 10.96 10.96 0 2 N-Acetyl-L-cysteine - 40.0 eV CC(=O)N[C@@H](CS)C(=O)O InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1 132.1018 5.07 5.07 0 1 263.0128 11.64 11.64 0 5 254.161 5.29 5.29 0 15 244.1405 7.66 7.66 0 15 214.1297 6.87 6.87 0 15 175.1188 10.36 10.36 0 19 Massbank:PB000419 Arginine|2-amino-5-(diaminomethylideneamino)pentanoic acid C(CC(C(=O)O)N)CN=C(N)N 1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10) 332.2081 1.37 1.37 0 44 430.9133 6.45 6.45 0 24 200.1757 8.36 8.36 0 11 249.1079 9.87 9.87 0 1 Spectral Match to Thr-Met from NIST14 C[C@H]([C@@H](C(=O)N[C@@H](CCSC)C(=O)O)N)O InChI=1S/C9H18N2O4S/c1-5(12)7(10)8(13)11-6(9(14)15)3-4-16-2/h5-7,12H,3-4,10H2,1-2H3,(H,11,13)(H,14,15)/t5-,6+,7+/m1/s1 227.1137 10.15 10.15 0 1 Candidate Histidine-C4:0 (delta mass:70.0409) nan nan 163.0534 4.04 4.04 0 2 N-Acetyl-L-cysteine - 40.0 eV CC(=O)N[C@@H](CS)C(=O)O InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1 289.1616 11.73 11.73 0 5 Spectral Match to Arg-Ile from NIST14 CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CCCN=C(N)N)N InChI=1S/C12H25N5O3/c1-3-7(2)9(11(19)20)17-10(18)8(13)5-4-6-16-12(14)15/h7-9H,3-6,13H2,1-2H3,(H,17,18)(H,19,20)(H4,14,15,16)/t7-,8-,9-/m0/s1 274.1872 10.1 10.1 0 5 Spectral Match to Val-Arg from NIST14 nan nan 304.1765 4.74 4.74 0 15 176.1221 10.36 10.36 0 19 Massbank:PB000420 Arginine|2-amino-5-(diaminomethylideneamino)pentanoic acid C(CC(C(=O)O)N)CN=C(N)N 1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10) 289.2066 9.51 9.51 0 5 Spectral Match to Ile-Arg from NIST14 CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)N InChI=1S/C12H25N5O3/c1-3-7(2)9(13)10(18)17-8(11(19)20)5-4-6-16-12(14)15/h7-9H,3-6,13H2,1-2H3,(H,17,18)(H,19,20)(H4,14,15,16)/t7-,8-,9-/m0/s1 310.1758 10.06 10.06 0 1 230.2476 1.21 1.21 0 21 Harmaline COc1ccc2c(c1)=NC1=C(C)NCCC=21 InChI=1S/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,14H,5-6H2,1-2H3 269.1605 9.2 9.2 0 19 Spectral Match to Leu-His from NIST14 CC(C)C[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)O)N InChI=1S/C12H20N4O3/c1-7(2)3-9(13)11(17)16-10(12(18)19)4-8-5-14-6-15-8/h5-7,9-10H,3-4,13H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)/t9-,10-/m0/s1 284.0797 9.65 9.65 0 25 308.0909 9.73 9.73 0 45 GLUTATHIONE REDUCED 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" 254.1609 5.08 5.08 0 15 269.1606 7.96 7.96 0 1 Spectral Match to His-Ile from NIST14 CCC(C)C(C(=O)O)NC(=O)C(CC1=CN=CN1)N InChI=1S/C12H20N4O3/c1-3-7(2)10(12(18)19)16-11(17)9(13)4-8-5-14-6-15-8/h5-7,9-10H,3-4,13H2,1-2H3,(H,14,15)(H,16,17)(H,18,19) 303.1772 11.57 11.57 0 5 Arg-Lys NCCCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)O InChI=1S/C12H26N6O3/c13-6-2-1-5-9(11(20)21)18-10(19)8(14)4-3-7-17-12(15)16/h8-9H,1-7,13-14H2,(H,18,19)(H,20,21)(H4,15,16,17)/t8-,9-/m0/s1 246.181 10.0 10.0 0 1 Lys-C6:0 CCCCCC(NC(CCCCN)C(O)=O)=O InChI=1S/C12H24N2O3/c1-2-3-4-8-11(15)14-10(12(16)17)7-5-6-9-13/h10H,2-9,13H2,1H3,(H,14,15)(H,16,17) 231.17 5.16 5.16 0 1 Spectral Match to Leu-Val from NIST14 CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)O)N InChI=1S/C11H22N2O3/c1-6(2)5-8(12)10(14)13-9(7(3)4)11(15)16/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16)/t8-,9-/m0/s1 282.0574 11.51 11.51 0 2 226.1549 6.04 6.04 0 34 285.1667 7.93 7.93 0 33 151.0351 11.87 11.87 0 3 246.152 1.34 1.34 0 2 156.042 5.71 5.71 0 10 132.1017 5.73 5.73 0 1 221.1129 9.25 9.25 0 1 298.0525 12.14 12.14 0 2 166.0861 4.85 4.85 0 22 Phenylalanine nan "InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)" 290.1345 9.68 9.68 0 45 OPHTHALMATE CC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O "InChI=1S/C11H19N3O6/c1-2-7(10(18)13-5-9(16)17)14-8(15)4-3-6(12)11(19)20/h6-7H,2-5,12H2,1H3,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1" 274.1872 9.87 9.87 0 5 Arg-C6:0 CCCCCC(NC(C(O)=O)CCCNC(N)=N)=O InChI=1S/C12H24N4O3/c1-2-3-4-7-10(17)16-9(11(18)19)6-5-8-15-12(13)14/h9H,2-8H2,1H3,(H,16,17)(H,18,19)(H4,13,14,15) 320.1714 5.91 5.91 0 15 Eniporide Cc1cc(-n2cccc2)c(S(C)(=O)=O)cc1C(=O)N=C(N)N InChI=1S/C14H16N4O3S/c1-9-7-11(18-5-3-4-6-18)12(22(2,20)21)8-10(9)13(19)17-14(15)16/h3-8H,1-2H3,(H4,15,16,17,19) 120.0654 8.1 8.1 0 8 175.1188 10.75 10.75 0 19 Massbank:PB000419 Arginine|2-amino-5-(diaminomethylideneamino)pentanoic acid C(CC(C(=O)O)N)CN=C(N)N 1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10) 285.2031 10.47 10.47 0 33 284.0532 10.86 10.86 0 2 148.0426 4.01 4.01 0 2 288.2029 9.51 9.51 0 5 Spectral Match to Ile-Arg from NIST14 nan nan 663.4525 0.94 0.94 0 12 Sarmentoside B COC1C(O)C(O[C@H]2CC[C@]3(C=O)C4C(CC[C@]3(O)C2)[C@@]2(O)CC[C@H](C3=CC(=O)OC3)[C@@]2(C)C[C@H]4OC(C)=O)OC(C)C1OC(C)=O InChI=1S/C34H48O13/c1-17-28(46-19(3)37)29(42-5)27(39)30(44-17)47-21-6-9-32(16-35)26-23(7-10-33(32,40)13-21)34(41)11-8-22(20-12-25(38)43-15-20)31(34,4)14-24(26)45-18(2)36/h12,16-17,21-24,26-30,39-41H,6-11,13-15H2,1-5H3/t17?,21-,22+,23?,24+,26?,27?,28?,29?,30?,31+,32-,33-,34-/m0/s1 261.2001 9.35 9.35 0 1 Spectral Match to Lys-Leu from NIST14 CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CCCCN)N InChI=1S/C12H25N3O3/c1-8(2)7-10(12(17)18)15-11(16)9(14)5-3-4-6-13/h8-10H,3-7,13-14H2,1-2H3,(H,15,16)(H,17,18)/t9-,10-/m0/s1 288.2029 9.04 9.04 0 5 Spectral Match to Arg-Ile from NIST14 CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CCCN=C(N)N)N InChI=1S/C12H25N5O3/c1-3-7(2)9(11(19)20)17-10(18)8(13)5-4-6-16-12(14)15/h7-9H,3-6,13H2,1-2H3,(H,17,18)(H,19,20)(H4,14,15,16)/t7-,8-,9-/m0/s1 258.1446 8.62 8.62 0 18 146.0268 5.2 5.2 0 2 284.0796 9.86 9.86 0 25 146.9801 1.3 1.3 0 29 146.0268 4.85 4.85 0 2 270.1921 3.68 3.68 0 15 133.0607 8.75 8.75 0 2 451.994 6.9 6.9 0 41 260.1967 9.81 9.81 0 1 Spectral Match to Ile-Lys from NIST14 CCC(C)C(C(=O)NC(CCCCN)C(=O)O)N InChI=1S/C12H25N3O3/c1-3-8(2)10(14)11(16)15-9(12(17)18)6-4-5-7-13/h8-10H,3-7,13-14H2,1-2H3,(H,15,16)(H,17,18) 303.2025 10.52 10.52 0 1 283.122 1.35 1.35 0 38 224.0737 1.39 1.39 0 2 148.0603 9.23 9.23 0 8 Glutamate - 40.00 eV N[C@@H](CCC(O)=O)C(O)=O InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 218.1498 11.02 11.02 0 1 Massbank:KO002290 b-Ala-Lys|beta-Alanyl-L-lysine|beta-Ala-Lys NCCCC[C@@H](C(O)=O)NC(=O)CCN 1S/C9H19N3O3/c10-5-2-1-3-7(9(14)15)12-8(13)4-6-11/h7H,1-6,10-11H2,(H,12,13)(H,14,15)/t7-/m0/s1 269.1607 8.24 8.24 0 1 Spectral Match to His-Ile from NIST14 CCC(C)C(C(=O)O)NC(=O)C(CC1=CN=CN1)N InChI=1S/C12H20N4O3/c1-3-7(2)10(12(18)19)16-11(17)9(13)4-8-5-14-6-15-8/h5-7,9-10H,3-4,13H2,1-2H3,(H,14,15)(H,16,17)(H,18,19) 347.2287 10.51 10.51 0 1 190.0895 1.71 1.71 0 2 286.1507 8.76 8.76 0 5 Arg-C7:0 CCCCCCC(NC(C(O)=O)CCCNC(N)=N)=O InChI=1S/C13H26N4O3/c1-2-3-4-5-8-11(18)17-10(12(19)20)7-6-9-16-13(14)15/h10H,2-9H2,1H3,(H,17,18)(H,19,20)(H4,14,15,16) 203.1502 9.45 9.45 0 19 N,N-dimethylarginine CN(C)C(N)=NCCC[C@H](N)C(=O)O InChI=1S/C8H18N4O2/c1-12(2)8(10)11-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H2,10,11)(H,13,14)/t6-/m0/s1 362.926 6.46 6.46 0 24 122.027 6.91 6.91 0 36 260.1967 9.34 9.34 0 1 Spectral Match to Lys-Leu from NIST14 CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CCCCN)N InChI=1S/C12H25N3O3/c1-8(2)7-10(12(17)18)15-11(16)9(14)5-3-4-6-13/h8-10H,3-7,13-14H2,1-2H3,(H,15,16)(H,17,18)/t9-,10-/m0/s1 245.1282 1.21 1.21 0 1 cyclo(L-Phe-D-Pro) nan nan 272.1714 10.42 10.42 0 5 Arg-C6:0 CCCCCC(NC(C(O)=O)CCCNC(N)=N)=O InChI=1S/C12H24N4O3/c1-2-3-4-7-10(17)16-9(11(18)19)6-5-8-15-12(13)14/h9H,2-8H2,1H3,(H,16,17)(H,18,19)(H4,13,14,15) 190.0894 1.99 1.99 0 2 133.1051 5.08 5.08 0 1 244.1653 10.66 10.66 0 1 235.1187 3.98 3.98 0 1 Cyclo(-His-Pro) O=C1N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@@H]12 "InChI=1S/C11H14N4O2/c16-10-9-2-1-3-15(9)11(17)8(14-10)4-7-5-12-6-13-7/h5-6,8-9H,1-4H2,(H,12,13)(H,14,16)/t8-,9-/m0/s1" 283.0415 9.69 9.69 0 2 153.077 5.74 5.74 0 8 IS_METHIONINE-METHYL-D3 CSCC[C@@H](C(=O)O)N "InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1" 130.0862 10.65 10.65 0 8 201.1788 8.36 8.36 0 11 283.0614 10.86 10.86 0 2 235.1188 3.61 3.61 0 1 Spectral Match to His-Pro from NIST14 C1C[C@H](N(C1)C(=O)[C@H](CC2=CN=CN2)N)C(=O)O InChI=1S/C11H16N4O3/c12-8(4-7-5-13-6-14-7)10(16)15-3-1-2-9(15)11(17)18/h5-6,8-9H,1-4,12H2,(H,13,14)(H,17,18)/t8-,9-/m0/s1 294.1671 9.49 9.49 0 15 241.031 6.93 6.93 0 2 L-cystine CollisionEnergy:102040 N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O "InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1" 259.1133 8.86 8.86 0 37 Choline Alfoscerate C[N+](C)(C)CCOP(=O)([O-])OC[C@H](O)CO "InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/t8-/m1/s1" 120.0806 4.84 4.84 0 28 231.17 5.16 5.16 0 1 Spectral Match to Leu-Val from NIST14 CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)O)N InChI=1S/C11H22N2O3/c1-6(2)5-8(12)10(14)13-9(7(3)4)11(15)16/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16)/t8-,9-/m0/s1 299.0363 10.03 10.03 0 2 157.0799 9.97 9.97 0 1 Massbank:RP002001 L-Histidine|(2S)-2-azaniumyl-3-(1H-imidazol-5-yl)propanoate c1c([nH]cn1)C[C@@H](C(=O)O)N 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 189.1596 10.09 10.09 0 19 "NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE" C[N+](C)(C)CCCC[C@@H](C(=O)[O-])N "InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/t8-/m0/s1" 338.1819 9.88 9.88 0 5 298.0965 1.36 1.36 0 4 5'-METHYLTHIOADENOSINE CSCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14) 232.1404 11.22 11.22 0 5 680.4788 0.94 0.94 0 12 213.0981 10.54 10.54 0 1 133.1052 5.45 5.45 0 1 ISOLEUCINE CC[C@H](C)[C@@H](C(=O)O)N "InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1" 273.1208 5.72 5.72 0 39 Phloretin O=C(C=1C(O)=CC(O)=CC1O)CCC2=CC=C(O)C=C2 InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2 276.1667 11.13 11.13 0 5 Spectral Match to Val-Arg from NIST14 CC(C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)N InChI=1S/C11H23N5O3/c1-6(2)8(12)9(17)16-7(10(18)19)4-3-5-15-11(13)14/h6-8H,3-5,12H2,1-2H3,(H,16,17)(H,18,19)(H4,13,14,15)/t7-,8-/m0/s1 234.1447 11.69 11.69 0 1 708.5103 0.93 0.93 0 12 254.1609 5.43 5.43 0 15 248.1604 11.21 11.21 0 1 188.0704 4.83 4.83 0 31 313.0521 9.5 9.5 0 2 262.1507 11.53 11.53 0 5 167.0894 4.85 4.85 0 22 Phenylalanine - 40.00 eV N[C@@H](CC1=CC=CC=C1)C(O)=O InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1 216.1341 8.14 8.14 0 34 498.9006 6.44 6.44 0 24 197.1283 1.23 1.23 0 1 cyclo(L-Val-L-Pro) CC(C)[C@H]1C(=O)N2CCC[C@H]2C(=O)N1 InChI=1S/C10H16N2O2/c1-6(2)8-10(14)12-5-3-4-7(12)9(13)11-8/h6-8H,3-5H2,1-2H3,(H,11,13)/t7-,8-/m0/s1 387.271 7.94 7.94 0 17 188.0704 4.85 4.85 0 31 215.1389 5.83 5.83 0 1 276.155 11.56 11.56 0 1 Massbank:KO002982 Glu-Glu OC(=O)CCC(N)C(=O)NC(CCC(O)=O)C(O)=O 1S/C10H16N2O7/c11-5(1-3-7(13)14)9(17)12-6(10(18)19)2-4-8(15)16/h5-6H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1 175.1075 8.62 8.62 0 8 218.1499 11.2 11.2 0 1 Massbank:KO002289 b-Ala-Lys|beta-Alanyl-L-lysine|beta-Ala-Lys NCCCC[C@@H](C(O)=O)NC(=O)CCN 1S/C9H19N3O3/c10-5-2-1-3-7(9(14)15)12-8(13)4-6-11/h7H,1-6,10-11H2,(H,12,13)(H,14,15)/t7-/m0/s1 146.0269 3.98 3.98 0 2 217.1545 5.82 5.82 0 1 Spectral Match to Val-Val from NIST14 CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)O)N InChI=1S/C10H20N2O3/c1-5(2)7(11)9(13)12-8(6(3)4)10(14)15/h5-8H,11H2,1-4H3,(H,12,13)(H,14,15)/t7-,8-/m0/s1 219.0974 9.66 9.66 0 1 306.0616 9.55 9.55 0 5 228.1454 6.17 6.17 0 15 AmilorideHCl C1(=C(N=C(C(=N1)Cl)N)N)C(=O)N=C(N)N InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15) 132.1018 5.46 5.46 0 1 294.181 9.07 9.07 0 1 359.2649 9.32 9.32 0 1 Spectral Match to Leu-Val-Lys from NIST14 nan nan 242.1861 4.34 4.34 0 34 197.1283 1.3 1.3 0 1 cyclo(L-Val-L-Pro) nan nan 147.1127 10.65 10.65 0 8 120.0806 4.85 4.85 0 28 134.1084 5.08 5.08 0 1 360.1497 9.31 9.31 0 1 Spectral Match to Leu-Val-Lys from NIST14 nan nan 361.1978 8.79 8.79 0 5 227.1831 1.1 1.1 0 30 Spectral Match to 1,11-Undecanedicarboxylic acid from NIST14 nan nan 566.888 6.49 6.49 0 24 261.2001 9.2 9.2 0 1 Spectral Match to Lys-Leu from NIST14 CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CCCCN)N InChI=1S/C12H25N3O3/c1-8(2)7-10(12(17)18)15-11(16)9(14)5-3-4-6-13/h8-10H,3-7,13-14H2,1-2H3,(H,15,16)(H,17,18)/t9-,10-/m0/s1 195.1225 1.39 1.39 0 9 153.077 6.23 6.23 0 8 280.0919 8.85 8.85 0 35 278.1424 11.51 11.51 0 19 ReSpect:PT105020 L-saccharopine|epsilon-N-(L-glutar-2-yl)-L-lysine|N6-(L-1,3-dicarboxylpropyl)-L-lysine|(2S)-2-[[(5S)-5-amino-6-hydroxy-6-oxohexyl]amino]pentanedioic acid C(CCNC(CCC(=O)O)C(=O)O)CC(C(=O)O)N 1/C11H20N2O6/c12-7(10(16)17)3-1-2-6-13-8(11(18)19)4-5-9(14)15/h7-8,13H,1-6,12H2,(H,14,15)(H,16,17)(H,18,19)/t7-,8-/m0/s1/f/h14,16,18H 421.3166 0.98 0.98 0 7 260.1967 9.57 9.57 0 1 Spectral Match to Lys-Ile from NIST14 CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CCCCN)N InChI=1S/C12H25N3O3/c1-3-8(2)10(12(17)18)15-11(16)9(14)6-4-5-7-13/h8-10H,3-7,13-14H2,1-2H3,(H,15,16)(H,17,18)/t8-,9-,10-/m0/s1 228.1704 5.43 5.43 0 34 289.2066 9.04 9.04 0 5 Spectral Match to Arg-Ile from NIST14 CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CCCN=C(N)N)N InChI=1S/C12H25N5O3/c1-3-7(2)9(11(19)20)17-10(18)8(13)5-4-6-16-12(14)15/h7-9H,3-6,13H2,1-2H3,(H,17,18)(H,19,20)(H4,14,15,16)/t7-,8-,9-/m0/s1 133.105 5.77 5.77 0 1 537.1943 8.86 8.86 0 35 430.9133 6.48 6.48 0 24 162.0582 2.92 2.92 0 2 175.1188 10.64 10.64 0 19 Massbank:PB000419 Arginine|2-amino-5-(diaminomethylideneamino)pentanoic acid C(CC(C(=O)O)N)CN=C(N)N 1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10) 393.2856 0.97 0.97 0 14 277.139 11.51 11.51 0 19 Spectral Match to L-Saccharopine from NIST14 nan nan 134.0447 9.86 9.86 0 2 322.187 8.89 8.89 0 5 Spectral Match to Arg-Phe from NIST14 C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)[C@H](CCCN=C(N)N)N InChI=1S/C15H23N5O3/c16-11(7-4-8-19-15(17)18)13(21)20-12(14(22)23)9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,16H2,(H,20,21)(H,22,23)(H4,17,18,19)/t11-,12-/m0/s1 362.926 6.46 6.46 0 24 709.5136 0.93 0.93 0 12 377.2624 0.97 0.97 0 14 345.2493 9.83 9.83 0 1 282.0575 11.17 11.17 0 2 156.0767 9.97 9.97 0 1 L-HISTIDINE - 20.0 eV N[C@@H](CC1=CNC=N1)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 275.171 11.61 11.61 0 1 Lys-C8:0 CCCCCCCC(NC(CCCCN)C(O)=O)=O InChI=1S/C14H28N2O3/c1-2-3-4-5-6-10-13(17)16-12(14(18)19)9-7-8-11-15/h12H,2-11,15H2,1H3,(H,16,17)(H,18,19) 331.2046 1.37 1.37 0 44 195.1127 1.34 1.34 0 9 277.1703 11.13 11.13 0 5 392.2538 0.95 0.95 0 14 229.1294 9.06 9.06 0 19 MGH2_methylglyoxal-derived hydroimidazolone 2 CC1N=C(NCCC[C@H](N)C(=O)O)NC1=O InChI=1S/C9H16N4O3/c1-5-7(14)13-9(12-5)11-4-2-3-6(10)8(15)16/h5-6H,2-4,10H2,1H3,(H,15,16)(H2,11,12,13,14)/t5?,6-/m0/s1 163.0533 10.86 10.86 0 2 N-Acetyl-L-cysteine - 40.0 eV CC(=O)N[C@@H](CS)C(=O)O InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1 284.0795 11.01 11.01 0 2 326.3776 1.06 1.06 0 42 156.042 5.7 5.7 0 10 241.0309 11.56 11.56 0 2 CYSTINE N[C@@H](CSSC[C@H](N)C(O)=O)C(O)=O "InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1" 188.0704 4.82 4.82 0 31 Spectral Match to L-Tryptophan from NIST14 nan nan 248.1606 11.34 11.34 0 1 Spectral Match to Lys-Val from NIST14 nan nan 205.097 4.82 4.82 0 31 Massbank:KO004073 Trp|Tryptophan|L-Tryptophan|(S)-alpha-Amino-beta-(3-indolyl)-propionic acid OC(=O)[C@H](N)Cc(c1)c(c2)c(ccc2)n1 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 260.1967 9.2 9.2 0 1 Spectral Match to Lys-Leu from NIST14 CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CCCCN)N InChI=1S/C12H25N3O3/c1-8(2)7-10(12(17)18)15-11(16)9(14)5-3-4-6-13/h8-10H,3-7,13-14H2,1-2H3,(H,15,16)(H,17,18)/t9-,10-/m0/s1 254.1609 5.43 5.43 0 15 258.1446 9.16 9.16 0 23 163.0534 4.2 4.2 0 2 N-Acetyl-L-cysteine - 40.0 eV CC(=O)N[C@@H](CS)C(=O)O InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1 204.134 11.53 11.53 0 1 Glycyl-l-glutamine NCC(=O)N[C@@H](CCC(N)=O)C(=O)O InChI=1S/C7H13N3O4/c8-3-6(12)10-4(7(13)14)1-2-5(9)11/h4H,1-3,8H2,(H2,9,11)(H,10,12)(H,13,14)/t4-/m0/s1 133.1051 5.08 5.08 0 1 D-LEUCINE CC(C)C[C@@H](N)C(=O)O "InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m1/s1" 130.0497 9.23 9.23 0 8 176.0738 2.47 2.47 0 2 230.1134 8.63 8.63 0 13 231.2509 1.21 1.21 0 21 Harmaline COc1ccc2c(c1)=NC1=C(C)NCCC=21 InChI=1S/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,14H,5-6H2,1-2H3 393.2855 0.99 0.99 0 14 258.156 7.16 7.16 0 27 144.982 1.32 1.32 0 29 285.1192 11.01 11.01 0 2 261.1444 8.23 8.23 0 1 Spectral Match to Ile-Met from NIST14 nan nan 244.1904 1.1 1.1 0 30 Brassylic acid - 40.0 eV C(CCCCCC(=O)O)CCCCCC(=O)O InChI=1S/C13H24O4/c14-12(15)10-8-6-4-2-1-3-5-7-9-11-13(16)17/h1-11H2,(H,14,15)(H,16,17) 258.1559 6.84 6.84 0 27 0.0 0 0.9958 0 621 573 39 Cosine 0.9958 19.014 19 0.8752 0 1067 1069 8 Cosine 0.8752 1.003 1 0.9914 0 1067 1071 8 Cosine 0.9914 0.948 0 0.8631 0 1067 1276 8 Cosine 0.8631 18.977 18 0.8165 0 1067 1279 8 Cosine 0.8165 1.951 1 0.8264 0 1067 1281 8 Cosine 0.8264 -75.014 -75 0.9555 0 826 837 41 Cosine 0.9555 16.028 16 0.8439 0 1135 1016 5 Cosine 0.8439 -0.098 0 0.9902 0 1135 1132 5 Cosine 0.9902 -156.101 -156 0.7416 0 1437 1118 17 Cosine 0.7416 1.003 1 0.9678 0 259 281 2 Cosine 0.9678 1.003 1 0.9604 0 259 391 2 Cosine 0.9604 -16.023 -16 0.7221 0 259 315 2 Cosine 0.7221 12.073 12 0.7894 0 1165 1157 1 Cosine 0.7894 -0.984 0 0.8657 0 1165 1174 1 Cosine 0.8657 -27.011 -27 0.7798 0 1165 1085 1 Cosine 0.7798 -99.105 -99 0.7895 0 1165 1263 1 Cosine 0.7895 3.959 3 0.7719 0 1165 1289 1 Cosine 0.7719 -43.006 -43 0.8989 0 1342 1487 5 Cosine 0.8989 92.026 92 0.9035 0 1342 1181 5 Cosine 0.9035 -1.003 -1 0.9398 0 1342 1345 5 Cosine 0.9398 76.031 76 0.9229 0 1342 1016 5 Cosine 0.9229 43.051 43 0.8946 0 1342 1030 5 Cosine 0.8946 42.047 42 0.8944 0 1342 1079 5 Cosine 0.8944 -58.005 -58 0.9209 0 1342 1378 5 Cosine 0.9209 115.042 115 0.8931 0 1342 988 5 Cosine 0.8931 42.047 42 0.9111 0 1342 1029 5 Cosine 0.9111 28.031 28 0.9522 0 1342 1175 5 Cosine 0.9522 14.016 14 0.9872 0 982 922 1 Cosine 0.9872 -1.979 -1 0.8306 0 982 1174 1 Cosine 0.8306 0.948 0 0.7868 0 982 1252 1 Cosine 0.7868 1.003 1 0.9817 0 1003 999 37 Cosine 0.9817 -135.975 -135 0.7713 0 733 729 24 Cosine 0.7713 0.0 0 0.9919 0 733 743 24 Cosine 0.9919 135.975 135 0.765 0 733 753 24 Cosine 0.765 67.987 67 0.742 0 733 754 24 Cosine 0.742 0.0 0 0.988 0 733 772 24 Cosine 0.988 135.975 135 0.7608 0 733 783 24 Cosine 0.7608 0.0 0 0.989 0 733 798 24 Cosine 0.989 0.0 0 0.9998 0 850 842 36 Cosine 0.9998 0.0 0 0.9923 0 743 772 24 Cosine 0.9923 -135.975 -135 0.7773 0 743 729 24 Cosine 0.7773 135.975 135 0.7724 0 743 753 24 Cosine 0.7724 67.987 67 0.7301 0 743 754 24 Cosine 0.7301 203.962 203 0.8453 0 743 763 24 Cosine 0.8453 135.975 135 0.7673 0 743 783 24 Cosine 0.7673 0.0 0 0.994 0 743 798 24 Cosine 0.994 0.0 0 0.9707 0 1549 1409 2 Cosine 0.9707 42.011 42 0.7213 0 1549 1145 2 Cosine 0.7213 0.0 0 0.9956 0 1549 845 2 Cosine 0.9956 72.021 72 0.7474 0 1549 1126 2 Cosine 0.7474 58.005 58 0.7114 0 1549 1201 2 Cosine 0.7114 1.996 1 0.7895 0 1549 1415 2 Cosine 0.7895 0.0 0 0.8998 0 1492 1509 16 Cosine 0.8998 0.0 0 0.9972 0 414 372 22 Cosine 0.9972 0.0 0 0.9724 0 591 348 2 Cosine 0.9724 13.02 13 0.8266 0 591 220 2 Cosine 0.8266 27.036 27 0.7013 0 591 205 2 Cosine 0.7013 13.02 13 0.8364 0 591 215 2 Cosine 0.8364 -0.995 0 0.8363 0 591 253 2 Cosine 0.8363 0.0 0 0.9811 0 591 315 2 Cosine 0.9811 -15.011 -15 0.8765 0 591 321 2 Cosine 0.8765 0.0 0 0.934 0 591 1324 2 Cosine 0.934 -0.0 0 0.9905 0 591 1348 2 Cosine 0.9905 -30.03 -30 0.8035 0 1345 904 5 Cosine 0.8035 42.047 42 0.9049 0 1345 1030 5 Cosine 0.9049 28.031 28 0.7829 0 1345 1208 5 Cosine 0.7829 -30.011 -30 0.824 0 1345 1356 5 Cosine 0.824 -15.853 -15 0.8047 0 1345 1466 5 Cosine 0.8047 18.01 18 0.8787 0 84 83 30 Cosine 0.8787 -1.003 -1 0.9654 0 84 86 30 Cosine 0.9654 0.0 0 0.9692 0 1320 1369 2 Cosine 0.9692 0.0 0 0.9888 0 1320 1377 2 Cosine 0.9888 0.984 0 0.7705 0 1320 1145 2 Cosine 0.7705 30.995 30 0.7851 0 1320 1126 2 Cosine 0.7851 16.979 16 0.8161 0 1320 1201 2 Cosine 0.8161 -1.996 -1 0.811 0 1320 1321 2 Cosine 0.811 1.004 1 0.9677 0 1320 1317 2 Cosine 0.9677 -1.003 -1 0.9728 0 228 229 26 Cosine 0.9728 1.003 1 0.8599 0 73 56 14 Cosine 0.8599 18.03 18 0.8523 0 73 24 14 Cosine 0.8523 15.995 15 0.7276 0 73 18 14 Cosine 0.7276 18.03 18 0.8791 0 73 67 14 Cosine 0.8791 17.027 17 0.796 0 73 25 14 Cosine 0.796 1.003 1 0.8901 0 73 27 14 Cosine 0.8901 0.0 0 0.9267 0 73 34 14 Cosine 0.9267 17.027 17 0.8919 0 73 70 14 Cosine 0.8919 -1.003 -1 0.9392 0 34 56 14 Cosine 0.9392 18.03 18 0.8478 0 34 24 14 Cosine 0.8478 15.995 15 0.7902 0 34 18 14 Cosine 0.7902 -18.03 -18 0.893 0 34 67 14 Cosine 0.893 17.027 17 0.8109 0 34 25 14 Cosine 0.8109 1.003 1 0.9492 0 34 27 14 Cosine 0.9492 -17.026 -17 0.9083 0 34 70 14 Cosine 0.9083 -0.959 0 0.8542 0 1079 1487 5 Cosine 0.8542 -49.979 -49 0.9601 0 1079 1181 5 Cosine 0.9601 33.984 33 0.9583 0 1079 1016 5 Cosine 0.9583 12.036 12 0.8458 0 1079 1355 5 Cosine 0.8458 1.004 1 0.9477 0 1079 1030 5 Cosine 0.9477 72.995 72 0.9121 0 1079 988 5 Cosine 0.9121 0.0 0 0.9779 0 1079 1029 5 Cosine 0.9779 14.016 14 0.9815 0 1079 1175 5 Cosine 0.9815 -15.958 -15 0.9189 0 1079 1378 5 Cosine 0.9189 14.016 14 0.9787 0 1208 1127 5 Cosine 0.9787 13.012 13 0.7739 0 1208 1128 5 Cosine 0.7739 1.004 1 0.9784 0 1208 1209 5 Cosine 0.9784 -1.979 -1 0.8335 0 1208 1356 5 Cosine 0.8335 13.04 13 0.8261 0 1208 1388 5 Cosine 0.8261 12.178 12 0.8602 0 1208 1466 5 Cosine 0.8602 26.016 26 0.8634 0 691 499 15 Cosine 0.8634 42.047 42 0.9661 0 691 311 15 Cosine 0.9661 26.016 26 0.9574 0 691 490 15 Cosine 0.9574 26.016 26 0.9544 0 691 442 15 Cosine 0.9544 42.047 42 0.9664 0 691 286 15 Cosine 0.9664 26.016 26 0.87 0 691 510 15 Cosine 0.87 -15.995 -15 0.872 0 691 865 15 Cosine 0.872 92.026 92 0.9094 0 691 686 15 Cosine 0.9094 -0.0 0 0.9831 0 691 695 15 Cosine 0.9831 14.016 14 0.9888 0 691 822 15 Cosine 0.9888 42.047 42 0.7473 0 1118 871 17 Cosine 0.7473 0.0 0 0.9921 0 754 730 24 Cosine 0.9921 -67.987 -67 0.7559 0 754 772 24 Cosine 0.7559 0.0 0 0.9857 0 754 768 24 Cosine 0.9857 -67.987 -67 0.9926 0 754 729 24 Cosine 0.9926 -67.987 -67 0.746 0 754 798 24 Cosine 0.746 -67.987 -67 0.9936 0 754 753 24 Cosine 0.9936 135.975 135 0.9117 0 754 763 24 Cosine 0.9117 0.0 0 0.9853 0 1039 1043 23 Cosine 0.9853 16.031 16 0.8914 0 679 361 34 Cosine 0.8914 2.016 2 0.8761 0 679 498 34 Cosine 0.8761 1.003 1 0.9431 0 679 678 34 Cosine 0.9431 -0.0 0 0.8841 0 679 693 34 Cosine 0.8841 10.021 10 0.7593 0 679 912 34 Cosine 0.7593 12.036 12 0.9504 0 1258 879 1 Cosine 0.9504 -36.011 -36 0.8988 0 1258 1085 1 Cosine 0.8988 -30.011 -30 0.9706 0 1258 1216 1 Cosine 0.9706 -1.979 -1 0.9519 0 1258 1023 1 Cosine 0.9519 44.026 44 0.9611 0 1258 1266 1 Cosine 0.9611 12.036 12 0.9503 0 1258 924 1 Cosine 0.9503 -14.016 -14 0.7126 0 121 127 20 Cosine 0.7126 -1.004 -1 0.9714 0 79 77 42 Cosine 0.9714 -3.019 -3 0.9776 0 586 606 8 Cosine 0.9776 -3.019 -3 0.9767 0 586 701 8 Cosine 0.9767 20.008 20 0.7497 0 586 1069 8 Cosine 0.7497 29.993 29 0.9436 0 240 166 4 Cosine 0.9436 1.004 1 0.9855 0 240 238 4 Cosine 0.9855 14.016 14 0.815 0 904 920 5 Cosine 0.815 -69.021 -69 0.7636 0 904 980 5 Cosine 0.7636 -15.011 -15 0.8121 0 904 1367 5 Cosine 0.8121 -45.883 -45 0.7695 0 904 1466 5 Cosine 0.7695 -67.987 -67 0.7528 0 772 768 24 Cosine 0.7528 135.975 135 0.7987 0 772 783 24 Cosine 0.7987 0.0 0 0.9982 0 772 798 24 Cosine 0.9982 1.003 1 0.9875 0 1276 1281 8 Cosine 0.9875 -18.066 -18 0.9879 0 1276 1069 8 Cosine 0.9879 -0.056 0 0.8413 0 1276 1071 8 Cosine 0.8413 1.003 1 0.9562 0 98 103 1 Cosine 0.9562 -33.984 -33 0.8888 0 107 103 1 Cosine 0.8888 48.0 48 0.9054 0 107 114 1 Cosine 0.9054 -0.0 0 0.9995 0 107 113 1 Cosine 0.9995 48.0 48 0.8792 0 107 130 1 Cosine 0.8792 67.987 67 0.9825 0 783 768 24 Cosine 0.9825 0.0 0 0.993 0 783 729 24 Cosine 0.993 -135.975 -135 0.7858 0 783 798 24 Cosine 0.7858 0.0 0 0.9926 0 783 753 24 Cosine 0.9926 -67.987 -67 0.9244 0 783 763 24 Cosine 0.9244 14.016 14 0.9986 0 1252 1157 1 Cosine 0.9986 28.031 28 0.8539 0 1252 1362 1 Cosine 0.8539 -101.048 -101 0.8859 0 1252 1263 1 Cosine 0.8859 14.016 14 0.9801 0 1252 1134 1 Cosine 0.9801 99.068 99 0.7807 0 1252 1159 1 Cosine 0.7807 -57.022 -57 0.8251 0 1252 1264 1 Cosine 0.8251 2.016 2 0.9181 0 1252 1289 1 Cosine 0.9181 -1.98 -1 0.9093 0 1252 1371 1 Cosine 0.9093 12.036 12 0.8977 0 1252 1473 1 Cosine 0.8977 -17.027 -17 0.8697 0 67 56 14 Cosine 0.8697 0.0 0 0.9222 0 67 24 14 Cosine 0.9222 -1.003 -1 0.876 0 67 25 14 Cosine 0.876 -17.027 -17 0.8973 0 67 27 14 Cosine 0.8973 1.003 1 0.945 0 67 70 14 Cosine 0.945 0.0 0 0.9882 0 975 957 13 Cosine 0.9882 -29.027 -29 0.8472 0 920 1367 5 Cosine 0.8472 0.0 0 0.9964 0 1499 1510 3 Cosine 0.9964 -33.984 -33 0.971 0 311 362 15 Cosine 0.971 16.031 16 0.8474 0 311 499 15 Cosine 0.8474 0.0 0 0.9837 0 311 286 15 Cosine 0.9837 16.031 16 0.9426 0 311 442 15 Cosine 0.9426 16.031 16 0.9427 0 311 490 15 Cosine 0.9427 16.031 16 0.8545 0 311 510 15 Cosine 0.8545 -49.979 -49 0.9216 0 311 686 15 Cosine 0.9216 42.047 42 0.969 0 311 695 15 Cosine 0.969 56.062 56 0.9567 0 311 822 15 Cosine 0.9567 14.016 14 0.9856 0 1023 879 1 Cosine 0.9856 28.031 28 0.9806 0 1023 1216 1 Cosine 0.9806 -23.975 -23 0.735 0 1023 471 1 Cosine 0.735 14.016 14 0.9771 0 1023 924 1 Cosine 0.9771 42.047 42 0.9483 0 1023 1266 1 Cosine 0.9483 -18.01 -18 0.785 0 1229 1374 19 Cosine 0.785 1.003 1 0.7941 0 678 693 34 Cosine 0.7941 13.02 13 0.852 0 215 348 2 Cosine 0.852 0.0 0 0.9877 0 215 220 2 Cosine 0.9877 48.0 48 0.8857 0 215 181 2 Cosine 0.8857 14.016 14 0.9217 0 215 205 2 Cosine 0.9217 14.016 14 0.9426 0 215 207 2 Cosine 0.9426 14.016 14 0.9747 0 215 253 2 Cosine 0.9747 13.02 13 0.8536 0 215 315 2 Cosine 0.8536 28.031 28 0.9345 0 215 321 2 Cosine 0.9345 13.02 13 0.8399 0 215 1348 2 Cosine 0.8399 0.0 0 0.9903 0 38 62 7 Cosine 0.9903 17.027 17 0.8115 0 24 56 14 Cosine 0.8115 -2.035 -2 0.7107 0 24 18 14 Cosine 0.7107 1.003 1 0.8494 0 24 25 14 Cosine 0.8494 17.027 17 0.8424 0 24 27 14 Cosine 0.8424 1.004 1 0.89 0 24 70 14 Cosine 0.89 14.016 14 0.9434 0 1234 1174 1 Cosine 0.9434 -15.995 -15 0.7843 0 1234 1138 1 Cosine 0.7843 -67.987 -67 0.9874 0 768 729 24 Cosine 0.9874 -67.987 -67 0.9887 0 768 753 24 Cosine 0.9887 -135.975 -135 0.9089 0 768 763 24 Cosine 0.9089 -67.987 -67 0.7444 0 768 798 24 Cosine 0.7444 -1.003 -1 0.9877 0 502 505 1 Cosine 0.9877 0.0 0 0.9967 0 502 506 1 Cosine 0.9967 -23.975 -23 0.955 0 502 1187 1 Cosine 0.955 -129.043 -129 0.7726 0 1524 1522 2 Cosine 0.7726 15.0 15 0.8532 0 1378 1487 5 Cosine 0.8532 34.021 34 0.9159 0 1378 1181 5 Cosine 0.9159 18.026 18 0.9395 0 1378 1016 5 Cosine 0.9395 -14.955 -14 0.8768 0 1378 1030 5 Cosine 0.8768 57.037 57 0.8676 0 1378 988 5 Cosine 0.8676 -15.958 -15 0.9349 0 1378 1029 5 Cosine 0.9349 -29.974 -29 0.9269 0 1378 1175 5 Cosine 0.9269 0.984 0 0.8697 0 1378 1426 5 Cosine 0.8697 0.948 0 0.8219 0 1290 945 18 Cosine 0.8219 1.003 1 0.988 0 1206 1207 19 Cosine 0.988 14.041 14 0.9401 0 1206 1246 19 Cosine 0.9401 -86.976 -86 0.8083 0 1206 1374 19 Cosine 0.8083 14.991 14 0.7747 0 56 18 14 Cosine 0.7747 16.023 16 0.8543 0 56 25 14 Cosine 0.8543 0.0 0 0.9886 0 56 27 14 Cosine 0.9886 -16.023 -16 0.8905 0 56 70 14 Cosine 0.8905 1.003 1 0.9837 0 439 440 1 Cosine 0.9837 -2.007 -2 0.9572 0 439 432 1 Cosine 0.9572 1.003 1 0.9837 0 439 465 1 Cosine 0.9837 0.0 0 0.9993 0 439 466 1 Cosine 0.9993 1.003 1 0.9817 0 439 505 1 Cosine 0.9817 2.007 2 0.9687 0 439 506 1 Cosine 0.9687 -33.984 -33 0.8812 0 103 113 1 Cosine 0.8812 14.016 14 0.9624 0 103 114 1 Cosine 0.9624 14.016 14 0.9145 0 103 130 1 Cosine 0.9145 -23.975 -23 0.8001 0 103 278 1 Cosine 0.8001 -23.975 -23 0.795 0 103 305 1 Cosine 0.795 -1.996 -1 0.8308 0 1415 1409 2 Cosine 0.8308 40.015 40 0.7212 0 1415 1145 2 Cosine 0.7212 -1.996 -1 0.7891 0 1415 845 2 Cosine 0.7891 70.025 70 0.7135 0 1415 1126 2 Cosine 0.7135 0.0 0 0.9542 0 187 156 38 Cosine 0.9542 28.989 28 0.9044 0 238 166 4 Cosine 0.9044 42.047 42 0.8001 0 1155 1107 1 Cosine 0.8001 14.016 14 0.7717 0 1155 1264 1 Cosine 0.7717 83.073 83 0.8801 0 1155 1473 1 Cosine 0.8801 -0.0 0 0.9828 0 1348 348 2 Cosine 0.9828 13.02 13 0.8316 0 1348 220 2 Cosine 0.8316 -0.995 0 0.8429 0 1348 253 2 Cosine 0.8429 -0.0 0 0.9405 0 1348 1324 2 Cosine 0.9405 27.036 27 0.7088 0 1348 207 2 Cosine 0.7088 -0.0 0 0.9921 0 1348 315 2 Cosine 0.9921 -15.011 -15 0.8766 0 1348 321 2 Cosine 0.8766 -2.007 -2 0.9591 0 432 466 1 Cosine 0.9591 14.158 14 0.8731 0 1466 1356 5 Cosine 0.8731 26.194 26 0.8424 0 1466 1127 5 Cosine 0.8424 11.174 11 0.8072 0 1466 1209 5 Cosine 0.8072 -0.862 0 0.9462 0 1466 1388 5 Cosine 0.9462 50.016 50 0.9416 0 490 362 15 Cosine 0.9416 0.0 0 0.9151 0 490 499 15 Cosine 0.9151 16.031 16 0.9325 0 490 286 15 Cosine 0.9325 -0.0 0 0.9922 0 490 442 15 Cosine 0.9922 0.0 0 0.9214 0 490 510 15 Cosine 0.9214 -66.01 -66 0.8836 0 490 686 15 Cosine 0.8836 26.016 26 0.9545 0 490 695 15 Cosine 0.9545 40.031 40 0.9504 0 490 822 15 Cosine 0.9504 60.036 60 0.8516 0 865 362 15 Cosine 0.8516 -50.027 -50 0.7808 0 865 1124 15 Cosine 0.7808 26.052 26 0.8419 0 865 286 15 Cosine 0.8419 76.031 76 0.854 0 865 686 15 Cosine 0.854 -15.995 -15 0.8815 0 865 695 15 Cosine 0.8815 -30.011 -30 0.8781 0 865 822 15 Cosine 0.8781 40.031 40 0.8398 0 822 499 15 Cosine 0.8398 40.031 40 0.9472 0 822 442 15 Cosine 0.9472 56.062 56 0.9561 0 822 286 15 Cosine 0.9561 40.031 40 0.8456 0 822 510 15 Cosine 0.8456 106.042 106 0.9107 0 822 686 15 Cosine 0.9107 14.016 14 0.984 0 822 695 15 Cosine 0.984 14.041 14 0.9365 0 1242 1207 19 Cosine 0.9365 -1.003 -1 0.9831 0 1242 1246 19 Cosine 0.9831 0.0 0 0.9896 0 1242 1272 19 Cosine 0.9896 0.0 0 0.9798 0 1242 1298 19 Cosine 0.9798 28.031 28 0.8797 0 1242 1121 19 Cosine 0.8797 54.011 54 0.9144 0 1242 1033 19 Cosine 0.9144 1.004 1 0.9438 0 171 173 44 Cosine 0.9438 0.0 0 0.9979 0 729 753 24 Cosine 0.9979 1.003 1 0.9881 0 929 928 11 Cosine 0.9881 12.037 12 0.7876 0 1174 922 1 Cosine 0.7876 -70.034 -70 0.9282 0 1216 1192 1 Cosine 0.9282 42.047 42 0.984 0 1216 879 1 Cosine 0.984 42.047 42 0.9661 0 1216 924 1 Cosine 0.9661 14.016 14 0.98 0 1216 1266 1 Cosine 0.98 0.0 0 0.99 0 315 348 2 Cosine 0.99 13.02 13 0.8432 0 315 220 2 Cosine 0.8432 -0.995 0 0.8543 0 315 253 2 Cosine 0.8543 0.0 0 0.9479 0 315 1324 2 Cosine 0.9479 27.036 27 0.7156 0 315 207 2 Cosine 0.7156 15.011 15 0.8916 0 315 321 2 Cosine 0.8916 72.036 72 0.8639 0 1487 988 5 Cosine 0.8639 33.025 33 0.8643 0 1487 1016 5 Cosine 0.8643 -0.959 0 0.8741 0 1487 1029 5 Cosine 0.8741 -14.974 -14 0.851 0 1487 1175 5 Cosine 0.851 14.016 14 0.8909 0 1487 1426 5 Cosine 0.8909 -1.979 -1 0.8335 0 1209 1355 5 Cosine 0.8335 14.016 14 0.9834 0 1209 1128 5 Cosine 0.9834 2.016 2 0.8963 0 1209 1256 5 Cosine 0.8963 42.047 42 0.7921 0 1209 1367 5 Cosine 0.7921 12.036 12 0.8896 0 1209 1388 5 Cosine 0.8896 50.016 50 0.941 0 362 442 15 Cosine 0.941 50.016 50 0.8499 0 362 499 15 Cosine 0.8499 50.016 50 0.8567 0 362 510 15 Cosine 0.8567 -15.995 -15 0.9174 0 362 686 15 Cosine 0.9174 1.003 1 0.9899 0 1246 1272 19 Cosine 0.9899 1.003 1 0.9668 0 1246 1298 19 Cosine 0.9668 12.036 12 0.8052 0 1127 1356 5 Cosine 0.8052 1.004 1 0.979 0 1127 1128 5 Cosine 0.979 -49.979 -49 0.9754 0 1205 1053 1 Cosine 0.9754 -15.995 -15 0.9905 0 1205 1036 1 Cosine 0.9905 62.015 62 0.9681 0 1205 1365 1 Cosine 0.9681 -48.976 -48 0.9411 0 1205 1112 1 Cosine 0.9411 -63.995 -63 0.9862 0 1205 1195 1 Cosine 0.9862 -48.976 -48 0.9469 0 1205 1054 1 Cosine 0.9469 -49.979 -49 0.9692 0 1205 1111 1 Cosine 0.9692 92.026 92 0.9839 0 1205 1354 1 Cosine 0.9839 34.021 34 0.9522 0 1205 1407 1 Cosine 0.9522 35.005 35 0.947 0 1205 1457 1 Cosine 0.947 -1.003 -1 0.9937 0 110 111 21 Cosine 0.9937 -40.031 -40 0.7057 0 1051 1033 19 Cosine 0.7057 0.0 0 0.9395 0 1136 1168 25 Cosine 0.9395 -17.956 -17 0.8092 0 1150 1144 45 Cosine 0.8092 0.0 0 0.9169 0 442 499 15 Cosine 0.9169 16.031 16 0.9308 0 442 286 15 Cosine 0.9308 0.0 0 0.9203 0 442 510 15 Cosine 0.9203 -66.01 -66 0.8843 0 442 686 15 Cosine 0.8843 26.016 26 0.9489 0 442 695 15 Cosine 0.9489 112.081 112 0.9082 0 879 1192 1 Cosine 0.9082 -0.0 0 0.9752 0 879 924 1 Cosine 0.9752 113.084 113 0.8734 0 879 1187 1 Cosine 0.8734 56.063 56 0.9468 0 879 1266 1 Cosine 0.9468 35.005 35 0.8375 0 1426 1181 5 Cosine 0.8375 58.021 58 0.8703 0 1426 988 5 Cosine 0.8703 -14.974 -14 0.8525 0 1426 1029 5 Cosine 0.8525 14.016 14 0.9867 0 1195 1053 1 Cosine 0.9867 48.0 48 0.9847 0 1195 1036 1 Cosine 0.9847 -1.979 -1 0.9713 0 1195 1365 1 Cosine 0.9713 15.019 15 0.9443 0 1195 1112 1 Cosine 0.9443 15.019 15 0.9482 0 1195 1054 1 Cosine 0.9482 14.016 14 0.9844 0 1195 1111 1 Cosine 0.9844 28.031 28 0.9779 0 1195 1354 1 Cosine 0.9779 -29.974 -29 0.9618 0 1195 1407 1 Cosine 0.9618 -28.99 -28 0.9518 0 1195 1457 1 Cosine 0.9518 16.031 16 0.8493 0 460 660 1 Cosine 0.8493 0.0 0 0.9907 0 460 471 1 Cosine 0.9907 14.016 14 0.7932 0 460 640 1 Cosine 0.7932 0.0 0 0.9756 0 1377 1369 2 Cosine 0.9756 30.995 30 0.7698 0 1377 1126 2 Cosine 0.7698 0.984 0 0.7564 0 1377 1145 2 Cosine 0.7564 16.979 16 0.8103 0 1377 1201 2 Cosine 0.8103 1.004 1 0.9595 0 1377 1317 2 Cosine 0.9595 1.996 1 0.8078 0 1377 1321 2 Cosine 0.8078 -15.995 -15 0.701 0 1377 1522 2 Cosine 0.701 2.015 2 0.7507 0 693 498 34 Cosine 0.7507 16.031 16 0.8579 0 693 361 34 Cosine 0.8579 -0.036 0 0.7475 0 870 1259 33 Cosine 0.7475 56.062 56 0.7524 0 137 205 2 Cosine 0.7524 56.063 56 0.7246 0 137 207 2 Cosine 0.7246 0.0 0 0.924 0 617 559 10 Cosine 0.924 -1.003 -1 0.9902 0 622 628 1 Cosine 0.9902 -23.975 -23 0.9554 0 622 1187 1 Cosine 0.9554 -57.022 -57 0.736 0 1522 1409 2 Cosine 0.736 1.003 1 0.9863 0 390 372 22 Cosine 0.9863 -63.995 -63 0.9496 0 1175 1181 5 Cosine 0.9496 48.0 48 0.9667 0 1175 1016 5 Cosine 0.9667 -1.979 -1 0.8749 0 1175 1355 5 Cosine 0.8749 15.019 15 0.8683 0 1175 1030 5 Cosine 0.8683 87.011 87 0.896 0 1175 988 5 Cosine 0.896 14.016 14 0.984 0 1175 1029 5 Cosine 0.984 -66.01 -66 0.8099 0 686 499 15 Cosine 0.8099 -49.979 -49 0.9017 0 686 286 15 Cosine 0.9017 92.026 92 0.9231 0 686 695 15 Cosine 0.9231 33.012 33 0.8554 0 911 606 8 Cosine 0.8554 0.0 0 0.9632 0 1298 1272 19 Cosine 0.9632 54.011 54 0.9388 0 1298 1033 19 Cosine 0.9388 28.031 28 0.8484 0 1298 1121 19 Cosine 0.8484 1.996 1 0.8024 0 1321 1369 2 Cosine 0.8024 -0.026 0 0.7826 0 1321 1352 2 Cosine 0.7826 -0.992 0 0.8136 0 1321 1317 2 Cosine 0.8136 -15.011 -15 0.8874 0 321 348 2 Cosine 0.8874 28.031 28 0.9381 0 321 220 2 Cosine 0.9381 76.031 76 0.7494 0 321 181 2 Cosine 0.7494 14.016 14 0.9575 0 321 253 2 Cosine 0.9575 -15.011 -15 0.8592 0 321 1324 2 Cosine 0.8592 42.047 42 0.7629 0 321 207 2 Cosine 0.7629 12.036 12 0.8233 0 1128 1355 5 Cosine 0.8233 16.032 16 0.8988 0 1128 1256 5 Cosine 0.8988 26.052 26 0.8807 0 1128 1388 5 Cosine 0.8807 17.026 17 0.8945 0 5 4 12 Cosine 0.8945 45.058 45 0.9447 0 5 3 12 Cosine 0.9447 46.061 46 0.9164 0 5 2 12 Cosine 0.9164 -1.003 -1 0.9668 0 1112 1053 1 Cosine 0.9668 32.981 32 0.9328 0 1112 1036 1 Cosine 0.9328 13.04 13 0.9471 0 1112 1365 1 Cosine 0.9471 0.0 0 0.9956 0 1112 1054 1 Cosine 0.9956 -1.003 -1 0.9804 0 1112 1111 1 Cosine 0.9804 43.05 43 0.9486 0 1112 1354 1 Cosine 0.9486 -14.955 -14 0.9562 0 1112 1407 1 Cosine 0.9562 -49.979 -49 0.964 0 1029 1181 5 Cosine 0.964 33.984 33 0.9696 0 1029 1016 5 Cosine 0.9696 -1.004 -1 0.9795 0 1029 1030 5 Cosine 0.9795 72.995 72 0.912 0 1029 988 5 Cosine 0.912 44.063 44 0.7069 0 476 205 2 Cosine 0.7069 12.966 12 0.8146 0 476 979 2 Cosine 0.8146 11.982 11 0.7152 0 476 1171 2 Cosine 0.7152 1.998 1 0.9824 0 129 131 29 Cosine 0.9824 0.0 0 0.9946 0 391 307 2 Cosine 0.9946 16.031 16 0.8357 0 286 499 15 Cosine 0.8357 16.031 16 0.8428 0 286 510 15 Cosine 0.8428 42.047 42 0.9682 0 286 695 15 Cosine 0.9682 -0.984 0 0.9294 0 979 1171 2 Cosine 0.9294 0.0 0 0.9793 0 1157 1134 1 Cosine 0.9793 -85.053 -85 0.7621 0 1157 1159 1 Cosine 0.7621 -87.032 -87 0.8965 0 1157 1263 1 Cosine 0.8965 16.031 16 0.9281 0 1157 1289 1 Cosine 0.9281 42.047 42 0.8315 0 1157 1362 1 Cosine 0.8315 12.036 12 0.9034 0 1157 1371 1 Cosine 0.9034 26.052 26 0.8872 0 1157 1473 1 Cosine 0.8872 42.047 42 0.7592 0 1264 1159 1 Cosine 0.7592 48.0 48 0.8689 0 181 220 2 Cosine 0.8689 -16.957 -16 0.8133 0 181 1409 2 Cosine 0.8133 33.984 33 0.8287 0 181 205 2 Cosine 0.8287 33.984 33 0.8502 0 181 207 2 Cosine 0.8502 0.948 0 0.8453 0 1071 1281 8 Cosine 0.8453 17.974 17 0.8072 0 1071 1279 8 Cosine 0.8072 27.047 27 0.8018 0 1071 944 8 Cosine 0.8018 -18.011 -18 0.8687 0 1071 1069 8 Cosine 0.8687 42.047 42 0.9642 0 1354 1053 1 Cosine 0.9642 76.031 76 0.9747 0 1354 1036 1 Cosine 0.9747 -30.011 -30 0.9748 0 1354 1365 1 Cosine 0.9748 -57.021 -57 0.9442 0 1354 1457 1 Cosine 0.9442 42.047 42 0.9523 0 1354 1111 1 Cosine 0.9523 43.05 43 0.9568 0 1354 1054 1 Cosine 0.9568 -58.005 -58 0.9635 0 1354 1407 1 Cosine 0.9635 56.063 56 0.9368 0 924 1266 1 Cosine 0.9368 12.036 12 0.826 0 1263 1107 1 Cosine 0.826 -87.032 -87 0.8771 0 1263 1134 1 Cosine 0.8771 -1.979 -1 0.8537 0 1263 1159 1 Cosine 0.8537 103.063 103 0.8799 0 1263 1289 1 Cosine 0.8799 27.036 27 0.7037 0 205 348 2 Cosine 0.7037 14.016 14 0.8702 0 205 220 2 Cosine 0.8702 0.0 0 0.9813 0 205 207 2 Cosine 0.9813 28.031 28 0.8302 0 205 253 2 Cosine 0.8302 54.01 54 0.8641 0 980 1367 5 Cosine 0.8641 28.031 28 0.8731 0 1121 1272 19 Cosine 0.8731 25.979 25 0.7952 0 1121 1033 19 Cosine 0.7952 0.0 0 0.9737 0 752 763 24 Cosine 0.9737 0.0 0 0.9808 0 1111 1053 1 Cosine 0.9808 33.984 33 0.9677 0 1111 1036 1 Cosine 0.9677 12.036 12 0.9607 0 1111 1365 1 Cosine 0.9607 -14.974 -14 0.937 0 1111 1457 1 Cosine 0.937 1.003 1 0.9742 0 1111 1054 1 Cosine 0.9742 -15.958 -15 0.9646 0 1111 1407 1 Cosine 0.9646 48.0 48 0.8962 0 113 114 1 Cosine 0.8962 48.0 48 0.8758 0 113 130 1 Cosine 0.8758 66.01 66 0.8412 0 1256 1181 5 Cosine 0.8412 50.016 50 0.8487 0 1256 1016 5 Cosine 0.8487 89.026 89 0.8498 0 1256 988 5 Cosine 0.8498 10.021 10 0.8264 0 1256 1388 5 Cosine 0.8264 27.036 27 0.7191 0 207 348 2 Cosine 0.7191 14.016 14 0.8919 0 207 220 2 Cosine 0.8919 28.031 28 0.8501 0 207 253 2 Cosine 0.8501 -1.003 -1 0.9849 0 440 466 1 Cosine 0.9849 16.031 16 0.9417 0 1289 1134 1 Cosine 0.9417 -3.995 -3 0.8857 0 1289 1371 1 Cosine 0.8857 79.042 79 0.7278 0 305 1187 1 Cosine 0.7278 0.0 0 0.9865 0 305 278 1 Cosine 0.9865 42.011 42 0.7245 0 1145 1409 2 Cosine 0.7245 0.984 0 0.7348 0 1145 1369 2 Cosine 0.7348 30.011 30 0.9104 0 1145 1126 2 Cosine 0.9104 -15.995 -15 0.8751 0 1145 1201 2 Cosine 0.8751 0.0 0 0.9888 0 606 701 8 Cosine 0.9888 -0.036 0 0.9895 0 1279 1069 8 Cosine 0.9895 1.004 1 0.9543 0 1317 1369 2 Cosine 0.9543 79.042 79 0.723 0 278 1187 1 Cosine 0.723 0.0 0 0.9717 0 845 1409 2 Cosine 0.9717 -72.021 -72 0.7196 0 845 1126 2 Cosine 0.7196 0.0 0 0.9795 0 371 392 28 Cosine 0.9795 16.031 16 0.793 0 471 660 1 Cosine 0.793 14.016 14 0.7377 0 471 640 1 Cosine 0.7377 58.005 58 0.7122 0 1201 1409 2 Cosine 0.7122 16.979 16 0.8222 0 1201 1369 2 Cosine 0.8222 14.016 14 0.895 0 1201 1126 2 Cosine 0.895 -1.003 -1 0.9855 0 1192 1187 1 Cosine 0.9855 -56.018 -56 0.9546 0 1192 1266 1 Cosine 0.9546 14.041 14 0.9177 0 1207 1272 19 Cosine 0.9177 23.016 23 0.9185 0 1181 988 5 Cosine 0.9185 -15.995 -15 0.9649 0 1181 1016 5 Cosine 0.9649 -48.975 -48 0.8689 0 1181 1030 5 Cosine 0.8689 -30.01 -30 0.8576 0 1367 1388 5 Cosine 0.8576 29.035 29 0.8096 0 4 2 12 Cosine 0.8096 28.031 28 0.8896 0 4 3 12 Cosine 0.8896 1.003 1 0.9817 0 505 466 1 Cosine 0.9817 -1.004 -1 0.9604 0 1355 1356 5 Cosine 0.9604 14.016 14 0.8802 0 1355 1388 5 Cosine 0.8802 -15.995 -15 0.9447 0 1473 1362 1 Cosine 0.9447 -30.011 -30 0.9315 0 1473 1389 1 Cosine 0.9315 26.052 26 0.9358 0 1473 1134 1 Cosine 0.9358 14.016 14 0.9633 0 1473 1371 1 Cosine 0.9633 1.003 1 0.9345 0 3 2 12 Cosine 0.9345 0.0 0 0.991 0 499 510 15 Cosine 0.991 26.016 26 0.8619 0 499 695 15 Cosine 0.8619 12.036 12 0.9697 0 1365 1053 1 Cosine 0.9697 13.04 13 0.9538 0 1365 1054 1 Cosine 0.9538 44.026 44 0.9214 0 1365 1389 1 Cosine 0.9214 -27.995 -27 0.9563 0 1365 1407 1 Cosine 0.9563 -27.011 -27 0.9618 0 1365 1457 1 Cosine 0.9618 17.027 17 0.9249 0 384 378 31 Cosine 0.9249 0.0 0 0.9998 0 384 415 31 Cosine 0.9998 0.0 0 0.9936 0 384 380 31 Cosine 0.9936 72.021 72 0.7598 0 1126 1409 2 Cosine 0.7598 30.995 30 0.7586 0 1126 1369 2 Cosine 0.7586 12.036 12 0.7202 0 912 498 34 Cosine 0.7202 26.052 26 0.7334 0 912 361 34 Cosine 0.7334 0.0 0 0.945 0 114 130 1 Cosine 0.945 17.027 17 0.9243 0 415 378 31 Cosine 0.9243 0.0 0 0.9938 0 415 380 31 Cosine 0.9938 -15.958 -15 0.966 0 1407 1053 1 Cosine 0.966 18.026 18 0.9622 0 1407 1036 1 Cosine 0.9622 0.984 0 0.9693 0 1407 1457 1 Cosine 0.9693 -14.955 -14 0.9614 0 1407 1054 1 Cosine 0.9614 -30.011 -30 0.9071 0 1362 1371 1 Cosine 0.9071 14.016 14 0.941 0 1362 1389 1 Cosine 0.941 26.016 26 0.8631 0 695 510 15 Cosine 0.8631 2.007 2 0.9696 0 506 466 1 Cosine 0.9696 -23.975 -23 0.9549 0 506 1187 1 Cosine 0.9549 33.984 33 0.9738 0 1036 1053 1 Cosine 0.9738 32.981 32 0.9386 0 1036 1054 1 Cosine 0.9386 19.01 19 0.9604 0 1036 1457 1 Cosine 0.9604 14.016 14 0.8648 0 1107 1159 1 Cosine 0.8648 0.885 0 0.9717 0 1107 1102 1 Cosine 0.9717 14.016 14 0.8205 0 361 498 34 Cosine 0.8205 -1.003 -1 0.9847 0 466 465 1 Cosine 0.9847 39.011 39 0.9167 0 988 1016 5 Cosine 0.9167 17.007 17 0.8619 0 86 83 30 Cosine 0.8619 -1.003 -1 0.9662 0 1054 1053 1 Cosine 0.9662 -13.971 -13 0.9238 0 1054 1457 1 Cosine 0.9238 -0.01 0 1.0 0 182 138 9 Cosine 1.0 -257.102 -257 0.7801 0 995 998 35 Cosine 0.7801 -1.003 -1 0.9809 0 1376 1374 19 Cosine 0.9809 12.036 12 0.9391 0 1134 1371 1 Cosine 0.9391 12.036 12 0.8458 0 1030 1356 5 Cosine 0.8458 -0.995 0 0.848 0 253 348 2 Cosine 0.848 14.016 14 0.9937 0 253 220 2 Cosine 0.9937 -0.995 0 0.8258 0 253 1324 2 Cosine 0.8258 54.011 54 0.9092 0 1272 1033 19 Cosine 0.9092 -1.032 -1 0.878 0 25 18 14 Cosine 0.878 16.023 16 0.8643 0 25 27 14 Cosine 0.8643 0.0 0 0.917 0 25 70 14 Cosine 0.917 14.991 14 0.8004 0 27 18 14 Cosine 0.8004 -16.023 -16 0.9118 0 27 70 14 Cosine 0.9118 -14.974 -14 0.9519 0 1457 1053 1 Cosine 0.9519 -71.037 -71 0.9325 0 1457 1389 1 Cosine 0.9325 -1.032 -1 0.7847 0 18 70 14 Cosine 0.7847 0.0 0 0.941 0 1324 348 2 Cosine 0.941 -1.04 -1 0.8045 0 1352 1353 2 Cosine 0.8045 17.027 17 0.9243 0 380 378 31 Cosine 0.9243 13.02 13 0.8396 0 348 220 2 Cosine 0.8396 -0.0 0 0.8715 0 858 820 27 Cosine 0.8715 nf_output/networking/params/0000755000000000000000000000000014777454552015275 5ustar rootrootnf_output/networking/params/0.params0000644000000000000000000000026014777454552016637 0ustar rootrootALIGNS_FORMAT=tsv MIN_MATCHED_PEAKS=6 TOLERANCE_PEAK=0.5 TOLERANCE_PM=2.0 PAIRS_MIN_COSINE=0.7 MAX_SHIFT=1999.0 INPUT_SPECTRA_MS2=spectra_filtered.mgf IDX_START=0 IDX_END=1551 nf_output/networking/network_singletons.graphml0000644000000000000000000117574214777455240021340 0ustar rootroot 273.1208 5.73 5.73 0 39 149.0636 9.23 9.23 0 8 Glutamate - 40.00 eV N[C@@H](CCC(O)=O)C(O)=O InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 376.9798 6.89 6.89 0 41 306.1593 9.57 9.57 0 5 251.1661 11.59 11.59 0 17 147.0301 3.61 3.61 0 2 248.1239 9.85 9.85 0 1 246.1559 10.93 10.93 0 5 Arg-C4:0 CCCC(NC(C(O)=O)CCCNC(N)=N)=O InChI=1S/C10H20N4O3/c1-2-4-8(15)14-7(9(16)17)5-3-6-13-10(11)12/h7H,2-6H2,1H3,(H,14,15)(H,16,17)(H4,11,12,13) 247.1286 8.77 8.77 0 1 Val-Glu [C@H](NC([C@H](C(C)C)N)=O)(CCC(O)=O)C(O)=O InChI=1S/C10H18N2O5/c1-5(2)8(11)9(15)12-6(10(16)17)3-4-7(13)14/h5-6,8H,3-4,11H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)/t6-,8-/m0/s1 258.1099 8.86 8.86 0 37 SN-GLYCERO-3-PHOSPHOCHOLINE C[N+](C)(C)CCOP(=O)([O-])OC[C@H](CO)O "InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/t8-/m0/s1" 566.888 6.44 6.44 0 24 122.027 6.91 6.91 0 36 566.888 6.47 6.47 0 24 241.0309 15.56 15.56 0 2 CYSTINE N[C@@H](CSSC[C@H](N)C(O)=O)C(O)=O "InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1" 304.0269 11.81 11.81 0 16 167.0894 4.86 4.86 0 22 Phenylalanine - 40.00 eV N[C@@H](CC1=CC=CC=C1)C(O)=O InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1 163.0534 5.74 5.74 0 2 N-Acetyl-L-cysteine - 40.0 eV CC(=O)N[C@@H](CS)C(=O)O InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1 247.1593 10.93 10.93 0 5 Arg-C4:0 CCCC(NC(C(O)=O)CCCNC(N)=N)=O InChI=1S/C10H20N4O3/c1-2-4-8(15)14-7(9(16)17)5-3-6-13-10(11)12/h7H,2-6H2,1H3,(H,14,15)(H,16,17)(H4,11,12,13) 226.1799 1.1 1.1 0 30 2-heptylhexanedioic acid CollisionEnergy:102040 CCCCCCCC(CCCC(=O)O)C(=O)O "InChI=1S/C13H24O4/c1-2-3-4-5-6-8-11(13(16)17)9-7-10-12(14)15/h11H,2-10H2,1H3,(H,14,15)(H,16,17)" 282.0575 10.86 10.86 0 2 220.1178 2.53 2.53 0 26 D-PANTOTHENIC ACID - 40.0 eV 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) 376.2589 1.0 1.0 0 14 376.259 0.97 0.97 0 14 288.2028 9.24 9.24 0 5 Spectral Match to Arg-Ile from NIST14 CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CCCN=C(N)N)N InChI=1S/C12H25N5O3/c1-3-7(2)9(11(19)20)17-10(18)8(13)5-4-6-16-12(14)15/h7-9H,3-6,13H2,1-2H3,(H,17,18)(H,19,20)(H4,14,15,16)/t7-,8-,9-/m0/s1 275.1908 10.1 10.1 0 5 Spectral Match to Val-Arg from NIST14 nan nan 228.1453 6.01 6.01 0 15 AmilorideHCl C1(=C(N=C(C(=N1)Cl)N)N)C(=O)N=C(N)N InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15) 304.0269 11.84 11.84 0 16 345.2242 9.39 9.39 0 17 498.9006 6.46 6.46 0 24 258.1447 9.11 9.11 0 23 L-alpha-Glycerylphosphorylcholine - 40.0 eV C[N+](C)(C)CCOP(=O)([O-])OC[C@@H](CO)O InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/t8-/m1/s1 226.1548 5.84 5.84 0 34 257.1242 10.47 10.47 0 1 156.1017 1.27 1.27 0 20 327.3811 1.06 1.06 0 42 150.0581 5.74 5.74 0 8 METHIONINE CSCC[C@@H](C(=O)O)N "InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1" 268.1039 2.74 2.74 0 4 ADENOSINE C([C@@H]1[C@H]([C@H]([C@H](N2C=NC3=C2N=CN=C3N)O1)O)O)O "InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1" 217.1293 8.02 8.02 0 5 N-Acetyl-L-arginine CC(=O)N[C@@H](CCCN=C(N)N)C(=O)O "InChI=1S/C8H16N4O3/c1-5(13)12-6(7(14)15)3-2-4-11-8(9)10/h6H,2-4H2,1H3,(H,12,13)(H,14,15)(H4,9,10,11)/t6-/m0/s1" 566.888 6.47 6.47 0 24 148.116 10.65 10.65 0 8 212.1472 1.17 1.17 0 1 Massbank:PR300811 Cyclo(proline-leucine) CC(C)CC1N=C(O)C2CCCN2C1=O 1S/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14) 245.1281 1.19 1.19 0 1 cyclo(L-Phe-D-Pro) nan nan 430.9133 6.49 6.49 0 24 246.181 10.38 10.38 0 1 Val-Glu [C@H](NC([C@H](C(C)C)N)=O)(CCC(O)=O)C(O)=O InChI=1S/C10H18N2O5/c1-5(2)8(11)9(15)12-6(10(16)17)3-4-7(13)14/h5-6,8H,3-4,11H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)/t6-,8-/m0/s1 221.1211 2.53 2.53 0 26 D-PANTOTHENIC ACID - 40.0 eV 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) 394.2889 0.98 0.98 0 14 170.1173 1.29 1.29 0 20 1,5-diethyl-1H-pyrazole-4-carboxylic acid CCc1c(C(=O)O)cnn1CC InChI=1S/C8H12N2O2/c1-3-7-6(8(11)12)5-9-10(7)4-2/h5H,3-4H2,1-2H3,(H,11,12) 230.1133 8.74 8.74 0 13 203.1137 8.2 8.2 0 5 151.0351 11.85 11.85 0 3 270.1921 4.0 4.0 0 15 255.145 8.96 8.96 0 1 His-C6:0 CCCCCC(NC(CC1=NC=CN1)C(O)=O)=O InChI=1S/C12H19N3O3/c1-2-3-4-5-11(16)15-9(12(17)18)8-10-13-6-7-14-10/h6-7,9H,2-5,8H2,1H3,(H,13,14)(H,15,16)(H,17,18) 259.1287 10.2 10.2 0 19 227.158 5.84 5.84 0 34 Spectral Match to PyroGlu-Pro from NIST14 C1CC(N(C1)C(=O)C2CCC(=O)N2)C(=O)O InChI=1S/C10H14N2O4/c13-8-4-3-6(11-8)9(14)12-5-1-2-7(12)10(15)16/h6-7H,1-5H2,(H,11,13)(H,15,16) 146.0269 3.62 3.62 0 2 176.0739 2.24 2.24 0 2 421.3166 0.98 0.98 0 7 Topotecan HCl C1(C=CC2C(C=1CN(C)C)=CC3=C(N=2)C4N(C3)C(C5=C(C=4)[C@](C(OC5)=O)(CC)O)=O)O.Cl InChI=1S/C23H23N3O5.ClH/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20;/h5-8,27,30H,4,9-11H2,1-3H3;1H/t23-;/m0./s1 394.289 0.97 0.97 0 14 235.0923 10.25 10.25 0 1 498.9006 6.47 6.47 0 24 132.1018 5.45 5.45 0 1 427.0953 12.63 12.63 0 2 304.1613 11.52 11.52 0 5 Arg-Lys NCCCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)O InChI=1S/C12H26N6O3/c13-6-2-1-5-9(11(20)21)18-10(19)8(14)4-3-7-17-12(15)16/h8-9H,1-7,13-14H2,(H,18,19)(H,20,21)(H4,15,16,17)/t8-,9-/m0/s1 257.197 10.67 10.67 0 18 190.1628 10.09 10.09 0 19 "NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE" C[N+](C)(C)CCCC[C@@H](C(=O)[O-])N "InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/t8-/m0/s1" 377.2624 0.97 0.97 0 14 134.1084 5.07 5.07 0 1 211.1439 1.17 1.17 0 1 Massbank:PR311142 Cyclo(leucylprolyl) O=C1NC(C(=O)N2CCCC12)CC(C)C 1S/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14) 243.0268 11.56 11.56 0 2 CYSTINE N[C@@H](CSSC[C@H](N)C(O)=O)C(O)=O "InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1" 283.122 1.36 1.36 0 38 269.1075 2.73 2.73 0 4 Massbank:RP010902 Adenosine|(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol NC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2=NC=N1 1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 317.2181 9.77 9.77 0 1 163.0535 10.96 10.96 0 2 N-Acetyl-L-cysteine - 40.0 eV CC(=O)N[C@@H](CS)C(=O)O InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1 132.1018 5.07 5.07 0 1 263.0128 11.64 11.64 0 5 254.161 5.29 5.29 0 15 244.1405 7.66 7.66 0 15 214.1297 6.87 6.87 0 15 175.1188 10.36 10.36 0 19 Massbank:PB000419 Arginine|2-amino-5-(diaminomethylideneamino)pentanoic acid C(CC(C(=O)O)N)CN=C(N)N 1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10) 332.2081 1.37 1.37 0 44 430.9133 6.45 6.45 0 24 200.1757 8.36 8.36 0 11 249.1079 9.87 9.87 0 1 Spectral Match to Thr-Met from NIST14 C[C@H]([C@@H](C(=O)N[C@@H](CCSC)C(=O)O)N)O InChI=1S/C9H18N2O4S/c1-5(12)7(10)8(13)11-6(9(14)15)3-4-16-2/h5-7,12H,3-4,10H2,1-2H3,(H,11,13)(H,14,15)/t5-,6+,7+/m1/s1 227.1137 10.15 10.15 0 1 Candidate Histidine-C4:0 (delta mass:70.0409) nan nan 163.0534 4.04 4.04 0 2 N-Acetyl-L-cysteine - 40.0 eV CC(=O)N[C@@H](CS)C(=O)O InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1 289.1616 11.73 11.73 0 5 Spectral Match to Arg-Ile from NIST14 CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CCCN=C(N)N)N InChI=1S/C12H25N5O3/c1-3-7(2)9(11(19)20)17-10(18)8(13)5-4-6-16-12(14)15/h7-9H,3-6,13H2,1-2H3,(H,17,18)(H,19,20)(H4,14,15,16)/t7-,8-,9-/m0/s1 274.1872 10.1 10.1 0 5 Spectral Match to Val-Arg from NIST14 nan nan 304.1765 4.74 4.74 0 15 176.1221 10.36 10.36 0 19 Massbank:PB000420 Arginine|2-amino-5-(diaminomethylideneamino)pentanoic acid C(CC(C(=O)O)N)CN=C(N)N 1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10) 289.2066 9.51 9.51 0 5 Spectral Match to Ile-Arg from NIST14 CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)N InChI=1S/C12H25N5O3/c1-3-7(2)9(13)10(18)17-8(11(19)20)5-4-6-16-12(14)15/h7-9H,3-6,13H2,1-2H3,(H,17,18)(H,19,20)(H4,14,15,16)/t7-,8-,9-/m0/s1 310.1758 10.06 10.06 0 1 230.2476 1.21 1.21 0 21 Harmaline COc1ccc2c(c1)=NC1=C(C)NCCC=21 InChI=1S/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,14H,5-6H2,1-2H3 269.1605 9.2 9.2 0 19 Spectral Match to Leu-His from NIST14 CC(C)C[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)O)N InChI=1S/C12H20N4O3/c1-7(2)3-9(13)11(17)16-10(12(18)19)4-8-5-14-6-15-8/h5-7,9-10H,3-4,13H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)/t9-,10-/m0/s1 284.0797 9.65 9.65 0 25 308.0909 9.73 9.73 0 45 GLUTATHIONE REDUCED 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" 254.1609 5.08 5.08 0 15 269.1606 7.96 7.96 0 1 Spectral Match to His-Ile from NIST14 CCC(C)C(C(=O)O)NC(=O)C(CC1=CN=CN1)N InChI=1S/C12H20N4O3/c1-3-7(2)10(12(18)19)16-11(17)9(13)4-8-5-14-6-15-8/h5-7,9-10H,3-4,13H2,1-2H3,(H,14,15)(H,16,17)(H,18,19) 303.1772 11.57 11.57 0 5 Arg-Lys NCCCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)O InChI=1S/C12H26N6O3/c13-6-2-1-5-9(11(20)21)18-10(19)8(14)4-3-7-17-12(15)16/h8-9H,1-7,13-14H2,(H,18,19)(H,20,21)(H4,15,16,17)/t8-,9-/m0/s1 246.181 10.0 10.0 0 1 Lys-C6:0 CCCCCC(NC(CCCCN)C(O)=O)=O InChI=1S/C12H24N2O3/c1-2-3-4-8-11(15)14-10(12(16)17)7-5-6-9-13/h10H,2-9,13H2,1H3,(H,14,15)(H,16,17) 231.17 5.16 5.16 0 1 Spectral Match to Leu-Val from NIST14 CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)O)N InChI=1S/C11H22N2O3/c1-6(2)5-8(12)10(14)13-9(7(3)4)11(15)16/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16)/t8-,9-/m0/s1 282.0574 11.51 11.51 0 2 226.1549 6.04 6.04 0 34 285.1667 7.93 7.93 0 33 151.0351 11.87 11.87 0 3 246.152 1.34 1.34 0 2 156.042 5.71 5.71 0 10 132.1017 5.73 5.73 0 1 221.1129 9.25 9.25 0 1 298.0525 12.14 12.14 0 2 166.0861 4.85 4.85 0 22 Phenylalanine nan "InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)" 290.1345 9.68 9.68 0 45 OPHTHALMATE CC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O "InChI=1S/C11H19N3O6/c1-2-7(10(18)13-5-9(16)17)14-8(15)4-3-6(12)11(19)20/h6-7H,2-5,12H2,1H3,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1" 274.1872 9.87 9.87 0 5 Arg-C6:0 CCCCCC(NC(C(O)=O)CCCNC(N)=N)=O InChI=1S/C12H24N4O3/c1-2-3-4-7-10(17)16-9(11(18)19)6-5-8-15-12(13)14/h9H,2-8H2,1H3,(H,16,17)(H,18,19)(H4,13,14,15) 320.1714 5.91 5.91 0 15 Eniporide Cc1cc(-n2cccc2)c(S(C)(=O)=O)cc1C(=O)N=C(N)N InChI=1S/C14H16N4O3S/c1-9-7-11(18-5-3-4-6-18)12(22(2,20)21)8-10(9)13(19)17-14(15)16/h3-8H,1-2H3,(H4,15,16,17,19) 120.0654 8.1 8.1 0 8 175.1188 10.75 10.75 0 19 Massbank:PB000419 Arginine|2-amino-5-(diaminomethylideneamino)pentanoic acid C(CC(C(=O)O)N)CN=C(N)N 1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10) 285.2031 10.47 10.47 0 33 284.0532 10.86 10.86 0 2 148.0426 4.01 4.01 0 2 288.2029 9.51 9.51 0 5 Spectral Match to Ile-Arg from NIST14 nan nan 663.4525 0.94 0.94 0 12 Sarmentoside B COC1C(O)C(O[C@H]2CC[C@]3(C=O)C4C(CC[C@]3(O)C2)[C@@]2(O)CC[C@H](C3=CC(=O)OC3)[C@@]2(C)C[C@H]4OC(C)=O)OC(C)C1OC(C)=O InChI=1S/C34H48O13/c1-17-28(46-19(3)37)29(42-5)27(39)30(44-17)47-21-6-9-32(16-35)26-23(7-10-33(32,40)13-21)34(41)11-8-22(20-12-25(38)43-15-20)31(34,4)14-24(26)45-18(2)36/h12,16-17,21-24,26-30,39-41H,6-11,13-15H2,1-5H3/t17?,21-,22+,23?,24+,26?,27?,28?,29?,30?,31+,32-,33-,34-/m0/s1 261.2001 9.35 9.35 0 1 Spectral Match to Lys-Leu from NIST14 CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CCCCN)N InChI=1S/C12H25N3O3/c1-8(2)7-10(12(17)18)15-11(16)9(14)5-3-4-6-13/h8-10H,3-7,13-14H2,1-2H3,(H,15,16)(H,17,18)/t9-,10-/m0/s1 288.2029 9.04 9.04 0 5 Spectral Match to Arg-Ile from NIST14 CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CCCN=C(N)N)N InChI=1S/C12H25N5O3/c1-3-7(2)9(11(19)20)17-10(18)8(13)5-4-6-16-12(14)15/h7-9H,3-6,13H2,1-2H3,(H,17,18)(H,19,20)(H4,14,15,16)/t7-,8-,9-/m0/s1 258.1446 8.62 8.62 0 18 146.0268 5.2 5.2 0 2 284.0796 9.86 9.86 0 25 146.9801 1.3 1.3 0 29 146.0268 4.85 4.85 0 2 270.1921 3.68 3.68 0 15 133.0607 8.75 8.75 0 2 451.994 6.9 6.9 0 41 260.1967 9.81 9.81 0 1 Spectral Match to Ile-Lys from NIST14 CCC(C)C(C(=O)NC(CCCCN)C(=O)O)N InChI=1S/C12H25N3O3/c1-3-8(2)10(14)11(16)15-9(12(17)18)6-4-5-7-13/h8-10H,3-7,13-14H2,1-2H3,(H,15,16)(H,17,18) 303.2025 10.52 10.52 0 1 283.122 1.35 1.35 0 38 224.0737 1.39 1.39 0 2 148.0603 9.23 9.23 0 8 Glutamate - 40.00 eV N[C@@H](CCC(O)=O)C(O)=O InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 218.1498 11.02 11.02 0 1 Massbank:KO002290 b-Ala-Lys|beta-Alanyl-L-lysine|beta-Ala-Lys NCCCC[C@@H](C(O)=O)NC(=O)CCN 1S/C9H19N3O3/c10-5-2-1-3-7(9(14)15)12-8(13)4-6-11/h7H,1-6,10-11H2,(H,12,13)(H,14,15)/t7-/m0/s1 269.1607 8.24 8.24 0 1 Spectral Match to His-Ile from NIST14 CCC(C)C(C(=O)O)NC(=O)C(CC1=CN=CN1)N InChI=1S/C12H20N4O3/c1-3-7(2)10(12(18)19)16-11(17)9(13)4-8-5-14-6-15-8/h5-7,9-10H,3-4,13H2,1-2H3,(H,14,15)(H,16,17)(H,18,19) 347.2287 10.51 10.51 0 1 190.0895 1.71 1.71 0 2 286.1507 8.76 8.76 0 5 Arg-C7:0 CCCCCCC(NC(C(O)=O)CCCNC(N)=N)=O InChI=1S/C13H26N4O3/c1-2-3-4-5-8-11(18)17-10(12(19)20)7-6-9-16-13(14)15/h10H,2-9H2,1H3,(H,17,18)(H,19,20)(H4,14,15,16) 203.1502 9.45 9.45 0 19 N,N-dimethylarginine CN(C)C(N)=NCCC[C@H](N)C(=O)O InChI=1S/C8H18N4O2/c1-12(2)8(10)11-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H2,10,11)(H,13,14)/t6-/m0/s1 362.926 6.46 6.46 0 24 122.027 6.91 6.91 0 36 260.1967 9.34 9.34 0 1 Spectral Match to Lys-Leu from NIST14 CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CCCCN)N InChI=1S/C12H25N3O3/c1-8(2)7-10(12(17)18)15-11(16)9(14)5-3-4-6-13/h8-10H,3-7,13-14H2,1-2H3,(H,15,16)(H,17,18)/t9-,10-/m0/s1 245.1282 1.21 1.21 0 1 cyclo(L-Phe-D-Pro) nan nan 272.1714 10.42 10.42 0 5 Arg-C6:0 CCCCCC(NC(C(O)=O)CCCNC(N)=N)=O InChI=1S/C12H24N4O3/c1-2-3-4-7-10(17)16-9(11(18)19)6-5-8-15-12(13)14/h9H,2-8H2,1H3,(H,16,17)(H,18,19)(H4,13,14,15) 190.0894 1.99 1.99 0 2 133.1051 5.08 5.08 0 1 244.1653 10.66 10.66 0 1 235.1187 3.98 3.98 0 1 Cyclo(-His-Pro) O=C1N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@@H]12 "InChI=1S/C11H14N4O2/c16-10-9-2-1-3-15(9)11(17)8(14-10)4-7-5-12-6-13-7/h5-6,8-9H,1-4H2,(H,12,13)(H,14,16)/t8-,9-/m0/s1" 283.0415 9.69 9.69 0 2 153.077 5.74 5.74 0 8 IS_METHIONINE-METHYL-D3 CSCC[C@@H](C(=O)O)N "InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1" 130.0862 10.65 10.65 0 8 201.1788 8.36 8.36 0 11 283.0614 10.86 10.86 0 2 235.1188 3.61 3.61 0 1 Spectral Match to His-Pro from NIST14 C1C[C@H](N(C1)C(=O)[C@H](CC2=CN=CN2)N)C(=O)O InChI=1S/C11H16N4O3/c12-8(4-7-5-13-6-14-7)10(16)15-3-1-2-9(15)11(17)18/h5-6,8-9H,1-4,12H2,(H,13,14)(H,17,18)/t8-,9-/m0/s1 294.1671 9.49 9.49 0 15 241.031 6.93 6.93 0 2 L-cystine CollisionEnergy:102040 N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O "InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1" 259.1133 8.86 8.86 0 37 Choline Alfoscerate C[N+](C)(C)CCOP(=O)([O-])OC[C@H](O)CO "InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/t8-/m1/s1" 120.0806 4.84 4.84 0 28 231.17 5.16 5.16 0 1 Spectral Match to Leu-Val from NIST14 CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)O)N InChI=1S/C11H22N2O3/c1-6(2)5-8(12)10(14)13-9(7(3)4)11(15)16/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16)/t8-,9-/m0/s1 299.0363 10.03 10.03 0 2 157.0799 9.97 9.97 0 1 Massbank:RP002001 L-Histidine|(2S)-2-azaniumyl-3-(1H-imidazol-5-yl)propanoate c1c([nH]cn1)C[C@@H](C(=O)O)N 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 189.1596 10.09 10.09 0 19 "NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE" C[N+](C)(C)CCCC[C@@H](C(=O)[O-])N "InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/t8-/m0/s1" 338.1819 9.88 9.88 0 5 298.0965 1.36 1.36 0 4 5'-METHYLTHIOADENOSINE CSCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14) 232.1404 11.22 11.22 0 5 680.4788 0.94 0.94 0 12 213.0981 10.54 10.54 0 1 133.1052 5.45 5.45 0 1 ISOLEUCINE CC[C@H](C)[C@@H](C(=O)O)N "InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1" 273.1208 5.72 5.72 0 39 Phloretin O=C(C=1C(O)=CC(O)=CC1O)CCC2=CC=C(O)C=C2 InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2 276.1667 11.13 11.13 0 5 Spectral Match to Val-Arg from NIST14 CC(C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)N InChI=1S/C11H23N5O3/c1-6(2)8(12)9(17)16-7(10(18)19)4-3-5-15-11(13)14/h6-8H,3-5,12H2,1-2H3,(H,16,17)(H,18,19)(H4,13,14,15)/t7-,8-/m0/s1 234.1447 11.69 11.69 0 1 708.5103 0.93 0.93 0 12 254.1609 5.43 5.43 0 15 248.1604 11.21 11.21 0 1 188.0704 4.83 4.83 0 31 313.0521 9.5 9.5 0 2 262.1507 11.53 11.53 0 5 167.0894 4.85 4.85 0 22 Phenylalanine - 40.00 eV N[C@@H](CC1=CC=CC=C1)C(O)=O InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1 216.1341 8.14 8.14 0 34 498.9006 6.44 6.44 0 24 197.1283 1.23 1.23 0 1 cyclo(L-Val-L-Pro) CC(C)[C@H]1C(=O)N2CCC[C@H]2C(=O)N1 InChI=1S/C10H16N2O2/c1-6(2)8-10(14)12-5-3-4-7(12)9(13)11-8/h6-8H,3-5H2,1-2H3,(H,11,13)/t7-,8-/m0/s1 387.271 7.94 7.94 0 17 188.0704 4.85 4.85 0 31 215.1389 5.83 5.83 0 1 276.155 11.56 11.56 0 1 Massbank:KO002982 Glu-Glu OC(=O)CCC(N)C(=O)NC(CCC(O)=O)C(O)=O 1S/C10H16N2O7/c11-5(1-3-7(13)14)9(17)12-6(10(18)19)2-4-8(15)16/h5-6H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1 175.1075 8.62 8.62 0 8 218.1499 11.2 11.2 0 1 Massbank:KO002289 b-Ala-Lys|beta-Alanyl-L-lysine|beta-Ala-Lys NCCCC[C@@H](C(O)=O)NC(=O)CCN 1S/C9H19N3O3/c10-5-2-1-3-7(9(14)15)12-8(13)4-6-11/h7H,1-6,10-11H2,(H,12,13)(H,14,15)/t7-/m0/s1 146.0269 3.98 3.98 0 2 217.1545 5.82 5.82 0 1 Spectral Match to Val-Val from NIST14 CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)O)N InChI=1S/C10H20N2O3/c1-5(2)7(11)9(13)12-8(6(3)4)10(14)15/h5-8H,11H2,1-4H3,(H,12,13)(H,14,15)/t7-,8-/m0/s1 219.0974 9.66 9.66 0 1 306.0616 9.55 9.55 0 5 228.1454 6.17 6.17 0 15 AmilorideHCl C1(=C(N=C(C(=N1)Cl)N)N)C(=O)N=C(N)N InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15) 132.1018 5.46 5.46 0 1 294.181 9.07 9.07 0 1 359.2649 9.32 9.32 0 1 Spectral Match to Leu-Val-Lys from NIST14 nan nan 242.1861 4.34 4.34 0 34 197.1283 1.3 1.3 0 1 cyclo(L-Val-L-Pro) nan nan 147.1127 10.65 10.65 0 8 120.0806 4.85 4.85 0 28 134.1084 5.08 5.08 0 1 360.1497 9.31 9.31 0 1 Spectral Match to Leu-Val-Lys from NIST14 nan nan 361.1978 8.79 8.79 0 5 227.1831 1.1 1.1 0 30 Spectral Match to 1,11-Undecanedicarboxylic acid from NIST14 nan nan 566.888 6.49 6.49 0 24 261.2001 9.2 9.2 0 1 Spectral Match to Lys-Leu from NIST14 CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CCCCN)N InChI=1S/C12H25N3O3/c1-8(2)7-10(12(17)18)15-11(16)9(14)5-3-4-6-13/h8-10H,3-7,13-14H2,1-2H3,(H,15,16)(H,17,18)/t9-,10-/m0/s1 195.1225 1.39 1.39 0 9 153.077 6.23 6.23 0 8 280.0919 8.85 8.85 0 35 278.1424 11.51 11.51 0 19 ReSpect:PT105020 L-saccharopine|epsilon-N-(L-glutar-2-yl)-L-lysine|N6-(L-1,3-dicarboxylpropyl)-L-lysine|(2S)-2-[[(5S)-5-amino-6-hydroxy-6-oxohexyl]amino]pentanedioic acid C(CCNC(CCC(=O)O)C(=O)O)CC(C(=O)O)N 1/C11H20N2O6/c12-7(10(16)17)3-1-2-6-13-8(11(18)19)4-5-9(14)15/h7-8,13H,1-6,12H2,(H,14,15)(H,16,17)(H,18,19)/t7-,8-/m0/s1/f/h14,16,18H 421.3166 0.98 0.98 0 7 260.1967 9.57 9.57 0 1 Spectral Match to Lys-Ile from NIST14 CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CCCCN)N InChI=1S/C12H25N3O3/c1-3-8(2)10(12(17)18)15-11(16)9(14)6-4-5-7-13/h8-10H,3-7,13-14H2,1-2H3,(H,15,16)(H,17,18)/t8-,9-,10-/m0/s1 228.1704 5.43 5.43 0 34 289.2066 9.04 9.04 0 5 Spectral Match to Arg-Ile from NIST14 CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CCCN=C(N)N)N InChI=1S/C12H25N5O3/c1-3-7(2)9(11(19)20)17-10(18)8(13)5-4-6-16-12(14)15/h7-9H,3-6,13H2,1-2H3,(H,17,18)(H,19,20)(H4,14,15,16)/t7-,8-,9-/m0/s1 133.105 5.77 5.77 0 1 537.1943 8.86 8.86 0 35 430.9133 6.48 6.48 0 24 162.0582 2.92 2.92 0 2 175.1188 10.64 10.64 0 19 Massbank:PB000419 Arginine|2-amino-5-(diaminomethylideneamino)pentanoic acid C(CC(C(=O)O)N)CN=C(N)N 1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10) 393.2856 0.97 0.97 0 14 277.139 11.51 11.51 0 19 Spectral Match to L-Saccharopine from NIST14 nan nan 134.0447 9.86 9.86 0 2 322.187 8.89 8.89 0 5 Spectral Match to Arg-Phe from NIST14 C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)[C@H](CCCN=C(N)N)N InChI=1S/C15H23N5O3/c16-11(7-4-8-19-15(17)18)13(21)20-12(14(22)23)9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,16H2,(H,20,21)(H,22,23)(H4,17,18,19)/t11-,12-/m0/s1 362.926 6.46 6.46 0 24 709.5136 0.93 0.93 0 12 377.2624 0.97 0.97 0 14 345.2493 9.83 9.83 0 1 282.0575 11.17 11.17 0 2 156.0767 9.97 9.97 0 1 L-HISTIDINE - 20.0 eV N[C@@H](CC1=CNC=N1)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 275.171 11.61 11.61 0 1 Lys-C8:0 CCCCCCCC(NC(CCCCN)C(O)=O)=O InChI=1S/C14H28N2O3/c1-2-3-4-5-6-10-13(17)16-12(14(18)19)9-7-8-11-15/h12H,2-11,15H2,1H3,(H,16,17)(H,18,19) 331.2046 1.37 1.37 0 44 195.1127 1.34 1.34 0 9 277.1703 11.13 11.13 0 5 392.2538 0.95 0.95 0 14 229.1294 9.06 9.06 0 19 MGH2_methylglyoxal-derived hydroimidazolone 2 CC1N=C(NCCC[C@H](N)C(=O)O)NC1=O InChI=1S/C9H16N4O3/c1-5-7(14)13-9(12-5)11-4-2-3-6(10)8(15)16/h5-6H,2-4,10H2,1H3,(H,15,16)(H2,11,12,13,14)/t5?,6-/m0/s1 163.0533 10.86 10.86 0 2 N-Acetyl-L-cysteine - 40.0 eV CC(=O)N[C@@H](CS)C(=O)O InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1 284.0795 11.01 11.01 0 2 326.3776 1.06 1.06 0 42 156.042 5.7 5.7 0 10 241.0309 11.56 11.56 0 2 CYSTINE N[C@@H](CSSC[C@H](N)C(O)=O)C(O)=O "InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1" 188.0704 4.82 4.82 0 31 Spectral Match to L-Tryptophan from NIST14 nan nan 248.1606 11.34 11.34 0 1 Spectral Match to Lys-Val from NIST14 nan nan 205.097 4.82 4.82 0 31 Massbank:KO004073 Trp|Tryptophan|L-Tryptophan|(S)-alpha-Amino-beta-(3-indolyl)-propionic acid OC(=O)[C@H](N)Cc(c1)c(c2)c(ccc2)n1 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 260.1967 9.2 9.2 0 1 Spectral Match to Lys-Leu from NIST14 CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CCCCN)N InChI=1S/C12H25N3O3/c1-8(2)7-10(12(17)18)15-11(16)9(14)5-3-4-6-13/h8-10H,3-7,13-14H2,1-2H3,(H,15,16)(H,17,18)/t9-,10-/m0/s1 254.1609 5.43 5.43 0 15 258.1446 9.16 9.16 0 23 163.0534 4.2 4.2 0 2 N-Acetyl-L-cysteine - 40.0 eV CC(=O)N[C@@H](CS)C(=O)O InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1 204.134 11.53 11.53 0 1 Glycyl-l-glutamine NCC(=O)N[C@@H](CCC(N)=O)C(=O)O InChI=1S/C7H13N3O4/c8-3-6(12)10-4(7(13)14)1-2-5(9)11/h4H,1-3,8H2,(H2,9,11)(H,10,12)(H,13,14)/t4-/m0/s1 133.1051 5.08 5.08 0 1 D-LEUCINE CC(C)C[C@@H](N)C(=O)O "InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m1/s1" 130.0497 9.23 9.23 0 8 176.0738 2.47 2.47 0 2 230.1134 8.63 8.63 0 13 231.2509 1.21 1.21 0 21 Harmaline COc1ccc2c(c1)=NC1=C(C)NCCC=21 InChI=1S/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,14H,5-6H2,1-2H3 393.2855 0.99 0.99 0 14 258.156 7.16 7.16 0 27 144.982 1.32 1.32 0 29 285.1192 11.01 11.01 0 2 261.1444 8.23 8.23 0 1 Spectral Match to Ile-Met from NIST14 nan nan 244.1904 1.1 1.1 0 30 Brassylic acid - 40.0 eV C(CCCCCC(=O)O)CCCCCC(=O)O InChI=1S/C13H24O4/c14-12(15)10-8-6-4-2-1-3-5-7-9-11-13(16)17/h1-11H2,(H,14,15)(H,16,17) 258.1559 6.84 6.84 0 27 270.1922 4.28 4.28 0 -1 432.2373 1.01 1.01 0 -1 136.0616 2.73 2.73 0 -1 162.0499 6.36 6.36 0 -1 170.081 2.5 2.5 0 -1 304.0393 10.84 10.84 0 -1 206.0455 2.74 2.74 0 -1 84.0806 10.65 10.65 0 -1 477.7683 11.14 11.14 0 -1 269.0878 4.0 4.0 0 -1 116.0705 10.72 10.72 0 -1 129.0657 7.97 7.97 0 -1 242.0997 2.53 2.53 0 -1 313.187 11.33 11.33 0 -1 177.0689 5.1 5.1 0 -1 237.1343 3.55 3.55 0 -1 393.2854 1.02 1.02 0 -1 353.1864 1.37 1.37 0 -1 124.0867 2.79 2.79 0 -1 491.7875 13.44 13.44 0 -1 116.0705 6.54 6.54 0 -1 142.0973 8.16 8.16 0 -1 132.1018 5.08 5.08 0 -1 100.0755 1.35 1.35 0 -1 237.0538 10.19 10.19 0 -1 164.0704 1.19 1.19 0 -1 86.0964 5.08 5.08 0 -1 129.0657 7.97 7.97 0 -1 152.0565 4.01 4.01 0 -1 189.9907 3.62 3.62 0 -1 119.0894 5.7 5.7 0 -1 147.0762 2.76 2.76 0 -1 159.0275 2.67 2.67 0 -1 431.3836 0.95 0.95 0 -1 133.1051 6.34 6.34 0 -1 118.0861 8.67 8.67 0 -1 152.0704 2.03 2.03 0 -1 267.9295 7.22 7.22 0 -1 243.1489 1.35 1.35 0 -1 195.0432 9.67 9.67 0 -1 304.2995 1.1 1.1 0 -1 156.0766 10.47 10.47 0 -1 118.0861 6.91 6.91 0 -1 90.9765 6.5 6.5 0 -1 278.9866 11.65 11.65 0 -1 306.0483 7.91 7.91 0 -1 229.118 4.23 4.23 0 -1 Spectral Match to PyroGlu-Val from NIST14 nan nan 200.1028 4.26 4.26 0 -1 169.0945 10.65 10.65 0 -1 171.0762 2.46 2.46 0 -1 88.0755 0.98 0.98 0 -1 163.1326 1.08 1.08 0 -1 356.9922 3.61 3.61 0 -1 348.0697 8.91 8.91 0 -1 AMP portion of methylmalonyl-CoA? and as listed by MoNA:3472824 Methylmalonyl-Coenzyme A C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N InChI=1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(17)7(4(1-16)21-10)22-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1/f/h18-19H,11H2 144.9818 0.97 0.97 0 -1 157.1698 8.42 8.42 0 -1 393.2855 1.39 1.39 0 -1 305.3029 1.11 1.11 0 -1 366.1085 9.3 9.3 0 -1 331.0808 1.04 1.04 0 -1 104.1069 3.63 3.63 0 -1 132.1017 6.32 6.32 0 -1 125.9861 14.28 14.28 0 -1 210.1097 1.32 1.32 0 -1 162.066 1.29 1.29 0 -1 176.0916 8.11 8.11 0 -1 118.0862 5.82 5.82 0 -1 195.1129 1.39 1.39 0 -1 458.7694 5.57 5.57 0 -1 323.0839 10.18 10.18 0 -1 170.061 5.21 5.21 0 -1 243.1086 10.93 10.93 0 -1 215.0529 1.16 1.16 0 -1 590.2061 1.27 1.27 0 -1 266.0744 4.82 4.82 0 -1 284.1391 1.19 1.19 0 -1 118.0861 6.27 6.27 0 -1 96.0443 1.29 1.29 0 -1 130.0973 10.37 10.37 0 -1 589.14 10.55 10.55 0 -1 241.0309 14.26 14.26 0 -1 136.0504 5.74 5.74 0 -1 365.1052 9.1 9.1 0 -1 162.0499 6.39 6.39 0 -1 210.1097 1.39 1.39 0 -1 192.0395 5.46 5.46 0 -1 296.0657 8.85 8.85 0 -1 574.1288 8.6 8.6 0 -1 Spectral Match to Adenylyl(3'-5')cytidine from NIST14 C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O InChI=1S/C19H25N8O11P/c20-9-1-2-26(19(32)25-9)18-13(31)14(7(3-28)36-18)38-39(33,34)35-4-8-11(29)12(30)17(37-8)27-6-24-10-15(21)22-5-23-16(10)27/h1-2,5-8,11-14,17-18,28-31H,3-4H2,(H,33,34)(H2,20,25,32)(H2,21,22,23)/t7-,8-,11-,12-,13-,14-,17+,18-/m1/s1 124.0867 0.98 0.98 0 -1 271.151 7.96 7.96 0 -1 147.0763 8.61 8.61 0 -1 162.9976 2.46 2.46 0 -1 124.0393 3.33 3.33 0 -1 173.0919 6.9 6.9 0 -1 237.036 10.88 10.88 0 -1 292.8449 5.58 5.58 0 -1 251.15 2.49 2.49 0 -1 364.0649 10.32 10.32 0 -1 364.0649 10.11 10.11 0 -1 118.0861 5.7 5.7 0 -1 171.1488 0.97 0.97 0 -1 137.0457 2.61 2.61 0 -1 277.038 8.62 8.62 0 -1 473.3445 12.1 12.1 0 -1 124.0867 0.88 0.88 0 -1 198.0848 9.0 9.0 0 -1 291.0697 3.9 3.9 0 -1 288.2529 1.04 1.04 0 -1 206.8857 5.57 5.57 0 -1 118.0862 6.26 6.26 0 -1 L-VALINE - 20.0 eV CC(C)[C@H](N)C(O)=O InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1 177.0245 8.73 8.73 0 -1 251.185 1.14 1.14 0 -1 278.9867 11.73 11.73 0 -1 226.9513 8.37 8.37 0 -1 124.0867 2.75 2.75 0 -1 83.0602 2.69 2.69 0 -1 265.127 8.39 8.39 0 -1 207.0974 9.73 9.73 0 -1 125.9861 19.24 19.24 0 -1 86.0963 5.08 5.08 0 -1 472.2875 10.31 10.31 0 -1 143.9967 12.92 12.92 0 -1 165.9909 6.9 6.9 0 -1 119.0894 5.7 5.7 0 -1 166.053 8.6 8.6 0 -1 175.1188 11.21 11.21 0 -1 144.982 2.0 2.0 0 -1 331.0597 8.73 8.73 0 -1 346.0543 7.96 7.96 0 -1 133.1051 7.98 7.98 0 -1 151.0963 1.49 1.49 0 -1 257.1006 3.9 3.9 0 -1 154.086 1.35 1.35 0 -1 178.0585 9.97 9.97 0 -1 268.1038 4.21 4.21 0 -1 191.0765 10.65 10.65 0 -1 216.063 9.19 9.19 0 -1 283.1263 8.24 8.24 0 -1 106.0498 8.62 8.62 0 -1 188.1756 9.52 9.52 0 -1 Massbank:KO002270 N8-Acetylspermidine NCCCNCCCCNC(C)=O 1S/C9H21N3O/c1-9(13)12-8-3-2-6-11-7-4-5-10/h11H,2-8,10H2,1H3,(H,12,13) 197.0894 7.96 7.96 0 -1 176.1133 4.85 4.85 0 -1 219.0973 9.85 9.85 0 -1 5875-41-2 C[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O InChI=1S/C8H14N2O5/c1-4(7(12)13)10-6(11)3-2-5(9)8(14)15/h4-5H,2-3,9H2,1H3,(H,10,11)(H,12,13)(H,14,15)/t4-,5-/m0/s1 115.0865 5.94 5.94 0 -1 246.1446 8.65 8.65 0 -1 563.1075 10.86 10.86 0 -1 241.0308 10.97 10.97 0 -1 210.0169 8.52 8.52 0 -1 246.1447 8.23 8.23 0 -1 164.0292 7.98 7.98 0 -1 137.0456 4.2 4.2 0 -1 153.0769 8.87 8.87 0 -1 200.2371 1.23 1.23 0 -1 118.0861 9.28 9.28 0 -1 124.0867 4.86 4.86 0 -1 245.1857 4.14 4.14 0 -1 367.2088 1.18 1.18 0 -1 169.0758 1.34 1.34 0 -1 138.0911 1.29 1.29 0 -1 257.1006 3.6 3.6 0 -1 338.341 0.95 0.95 0 -1 Spectral Match to 13-Docosenamide, (Z)- from NIST14 CCCCCCCC/C=C\\CCCCCCCCCCCC(=O)N InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9- 208.0135 5.49 5.49 0 -1 235.165 5.7 5.7 0 -1 542.7307 5.57 5.57 0 -1 123.0552 1.38 1.38 0 -1 133.1051 6.57 6.57 0 -1 268.1037 4.0 4.0 0 -1 180.1016 1.17 1.17 0 -1 201.9837 7.22 7.22 0 -1 353.0992 1.49 1.49 0 -1 90.9766 6.47 6.47 0 -1 218.1862 9.53 9.53 0 -1 120.0655 7.97 7.97 0 -1 182.9849 11.74 11.74 0 -1 267.1449 2.0 2.0 0 -1 308.9924 6.9 6.9 0 -1 187.1075 7.94 7.94 0 -1 268.1265 8.65 8.65 0 -1 205.1181 8.07 8.07 0 -1 132.1018 5.08 5.08 0 -1 86.0963 2.89 2.89 0 -1 195.0254 10.18 10.18 0 -1 124.0867 0.99 0.99 0 -1 148.0603 9.66 9.66 0 -1 156.1494 8.93 8.93 0 -1 158.9639 6.48 6.48 0 -1 167.0127 14.07 14.07 0 -1 254.1109 8.14 8.14 0 -1 168.0766 9.04 9.04 0 -1 133.0971 10.72 10.72 0 -1 ISOLEUCINE - 60.0 eV CC[C@H](C)[C@H](N)C(O)=O InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1 125.9861 19.13 19.13 0 -1 314.0914 3.99 3.99 0 -1 226.9513 6.47 6.47 0 -1 171.1489 1.05 1.05 0 -1 385.9017 12.92 12.92 0 -1 158.04 5.69 5.69 0 -1 365.1051 8.62 8.62 0 -1 233.1065 8.0 8.0 0 -1 105.0697 1.44 1.44 0 -1 266.1723 1.1 1.1 0 -1 376.2189 11.94 11.94 0 -1 213.0867 4.02 4.02 0 -1 337.0365 1.54 1.54 0 -1 244.0943 8.36 8.36 0 -1 90.055 7.66 7.66 0 -1 498.9006 6.48 6.48 0 -1 142.9479 9.86 9.86 0 -1 387.1795 1.02 1.02 0 -1 134.1174 4.28 4.28 0 -1 90.9766 6.46 6.46 0 -1 156.0766 10.64 10.64 0 -1 136.0617 2.46 2.46 0 -1 307.0436 3.89 3.89 0 -1 90.9766 6.41 6.41 0 -1 227.1 8.62 8.62 0 -1 351.2385 1.02 1.02 0 -1 133.105 5.75 5.75 0 -1 301.9656 6.84 6.84 0 -1 205.1182 8.45 8.45 0 -1 238.0448 9.19 9.19 0 -1 489.2762 10.79 10.79 0 -1 176.0656 5.43 5.43 0 -1 245.1857 4.21 4.21 0 -1 167.0127 14.3 14.3 0 -1 214.0497 1.16 1.16 0 -1 365.1052 8.4 8.4 0 -1 322.0544 5.26 5.26 0 -1 234.0847 2.47 2.47 0 -1 170.0811 2.03 2.03 0 -1 175.0015 2.62 2.62 0 -1 242.186 4.89 4.89 0 -1 324.0588 9.65 9.65 0 -1 134.0188 7.66 7.66 0 -1 268.1038 4.22 4.22 0 -1 371.2122 10.36 10.36 0 -1 442.7471 10.47 10.47 0 -1 241.0308 10.95 10.95 0 -1 88.0755 0.99 0.99 0 -1 348.1438 1.48 1.48 0 -1 266.0744 4.82 4.82 0 -1 306.0807 5.27 5.27 0 -1 104.0705 7.17 7.17 0 -1 188.035 8.6 8.6 0 -1 169.0581 2.76 2.76 0 -1 175.1187 10.86 10.86 0 -1 124.0867 1.38 1.38 0 -1 189.9908 4.33 4.33 0 -1 433.0925 9.35 9.35 0 -1 255.944 12.92 12.92 0 -1 402.3574 1.23 1.23 0 -1 241.0309 14.74 14.74 0 -1 107.0715 5.74 5.74 0 -1 270.1195 11.14 11.14 0 -1 134.1174 4.16 4.16 0 -1 166.0721 2.85 2.85 0 -1 227.1751 1.36 1.36 0 -1 131.1177 3.55 3.55 0 -1 171.0843 2.04 2.04 0 -1 396.2363 11.68 11.68 0 -1 167.0925 2.62 2.62 0 -1 125.9862 12.93 12.93 0 -1 226.9514 7.15 7.15 0 -1 230.15 7.68 7.68 0 -1 173.1341 12.5 12.5 0 -1 197.1007 10.36 10.36 0 -1 133.1051 6.29 6.29 0 -1 259.2822 1.17 1.17 0 -1 104.1069 3.63 3.63 0 -1 239.1486 1.36 1.36 0 -1 125.9861 14.26 14.26 0 -1 393.2857 1.42 1.42 0 -1 321.0626 1.54 1.54 0 -1 159.0914 4.81 4.81 0 -1 86.0963 5.45 5.45 0 -1 203.1388 5.83 5.83 0 -1 208.1807 6.97 6.97 0 -1 137.0456 4.0 4.0 0 -1 126.0548 1.35 1.35 0 -1 257.1468 5.74 5.74 0 -1 290.847 5.57 5.57 0 -1 122.9244 5.57 5.57 0 -1 105.1102 3.58 3.58 0 -1 110.0711 9.97 9.97 0 -1 197.0409 5.89 5.89 0 -1 395.1961 2.26 2.26 0 -1 216.0559 1.16 1.16 0 -1 154.0167 9.66 9.66 0 -1 124.0867 1.39 1.39 0 -1 298.0246 6.39 6.39 0 -1 228.1953 0.95 0.95 0 -1 MUCIC ACID O=C(O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2+,3+,4- 110.0599 1.31 1.31 0 -1 335.034 9.49 9.49 0 -1 124.0867 1.16 1.16 0 -1 88.0755 1.17 1.17 0 -1 298.0247 6.29 6.29 0 -1 404.206 1.02 1.02 0 -1 104.1069 3.62 3.62 0 -1 188.1756 9.46 9.46 0 -1 251.15 2.81 2.81 0 -1 86.0963 5.46 5.46 0 -1 125.9861 14.08 14.08 0 -1 158.9155 10.99 10.99 0 -1 105.1102 3.64 3.64 0 -1 245.9476 7.22 7.22 0 -1 284.0987 5.28 5.28 0 -1 261.1556 11.73 11.73 0 -1 HMDB:HMDB04987-2424 Alpha-Aspartyl-lysine NCCCC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(O)=O InChI=1S/C10H19N3O5/c11-4-2-1-3-7(10(17)18)13-9(16)6(12)5-8(14)15/h6-7H,1-5,11-12H2,(H,13,16)(H,14,15)(H,17,18)/t6-,7-/m0/s1 182.9849 12.9 12.9 0 -1 176.1028 9.0 9.0 0 -1 153.077 7.98 7.98 0 -1 118.0861 8.38 8.38 0 -1 298.0966 1.69 1.69 0 -1 258.2788 1.17 1.17 0 -1 212.1028 2.23 2.23 0 -1 144.0476 1.24 1.24 0 -1 132.1017 6.3 6.3 0 -1 349.2302 10.36 10.36 0 -1 150.0136 8.63 8.63 0 -1 262.9067 9.86 9.86 0 -1 375.0812 1.49 1.49 0 -1 137.0684 5.94 5.94 0 -1 110.0599 1.35 1.35 0 -1 146.081 1.99 1.99 0 -1 155.0426 8.74 8.74 0 -1 247.1287 8.19 8.19 0 -1 169.0582 8.61 8.61 0 -1 212.1027 2.47 2.47 0 -1 249.1344 1.42 1.42 0 -1 217.1181 8.37 8.37 0 -1 172.1329 4.76 4.76 0 -1 284.1391 1.19 1.19 0 -1 201.0092 5.74 5.74 0 -1 241.031 15.38 15.38 0 -1 265.1115 5.95 5.95 0 -1 270.1921 3.99 3.99 0 -1 282.1181 9.85 9.85 0 -1 365.1052 9.3 9.3 0 -1 241.0309 14.08 14.08 0 -1 189.9906 4.77 4.77 0 -1 282.9048 12.95 12.95 0 -1 430.9133 6.48 6.48 0 -1 613.1511 9.74 9.74 0 -1 158.0811 3.04 3.04 0 -1 166.0532 8.51 8.51 0 -1 328.0302 7.92 7.92 0 -1 138.0548 5.83 5.83 0 -1 175.1439 9.94 9.94 0 -1 241.031 11.22 11.22 0 -1 167.0127 12.92 12.92 0 -1 249.0607 4.82 4.82 0 -1 159.0276 2.63 2.63 0 -1 331.2046 2.05 2.05 0 -1 226.9514 7.06 7.06 0 -1 251.1113 9.06 9.06 0 -1 226.9513 8.25 8.25 0 -1 118.0861 5.69 5.69 0 -1 0.0 0 0.9958 0 621 573 39 Cosine 0.9958 19.014 19 0.8752 0 1067 1069 8 Cosine 0.8752 1.003 1 0.9914 0 1067 1071 8 Cosine 0.9914 0.948 0 0.8631 0 1067 1276 8 Cosine 0.8631 18.977 18 0.8165 0 1067 1279 8 Cosine 0.8165 1.951 1 0.8264 0 1067 1281 8 Cosine 0.8264 -75.014 -75 0.9555 0 826 837 41 Cosine 0.9555 16.028 16 0.8439 0 1135 1016 5 Cosine 0.8439 -0.098 0 0.9902 0 1135 1132 5 Cosine 0.9902 -156.101 -156 0.7416 0 1437 1118 17 Cosine 0.7416 1.003 1 0.9678 0 259 281 2 Cosine 0.9678 1.003 1 0.9604 0 259 391 2 Cosine 0.9604 -16.023 -16 0.7221 0 259 315 2 Cosine 0.7221 12.073 12 0.7894 0 1165 1157 1 Cosine 0.7894 -0.984 0 0.8657 0 1165 1174 1 Cosine 0.8657 -27.011 -27 0.7798 0 1165 1085 1 Cosine 0.7798 -99.105 -99 0.7895 0 1165 1263 1 Cosine 0.7895 3.959 3 0.7719 0 1165 1289 1 Cosine 0.7719 -43.006 -43 0.8989 0 1342 1487 5 Cosine 0.8989 92.026 92 0.9035 0 1342 1181 5 Cosine 0.9035 -1.003 -1 0.9398 0 1342 1345 5 Cosine 0.9398 76.031 76 0.9229 0 1342 1016 5 Cosine 0.9229 43.051 43 0.8946 0 1342 1030 5 Cosine 0.8946 42.047 42 0.8944 0 1342 1079 5 Cosine 0.8944 -58.005 -58 0.9209 0 1342 1378 5 Cosine 0.9209 115.042 115 0.8931 0 1342 988 5 Cosine 0.8931 42.047 42 0.9111 0 1342 1029 5 Cosine 0.9111 28.031 28 0.9522 0 1342 1175 5 Cosine 0.9522 14.016 14 0.9872 0 982 922 1 Cosine 0.9872 -1.979 -1 0.8306 0 982 1174 1 Cosine 0.8306 0.948 0 0.7868 0 982 1252 1 Cosine 0.7868 1.003 1 0.9817 0 1003 999 37 Cosine 0.9817 -135.975 -135 0.7713 0 733 729 24 Cosine 0.7713 0.0 0 0.9919 0 733 743 24 Cosine 0.9919 135.975 135 0.765 0 733 753 24 Cosine 0.765 67.987 67 0.742 0 733 754 24 Cosine 0.742 0.0 0 0.988 0 733 772 24 Cosine 0.988 135.975 135 0.7608 0 733 783 24 Cosine 0.7608 0.0 0 0.989 0 733 798 24 Cosine 0.989 0.0 0 0.9998 0 850 842 36 Cosine 0.9998 0.0 0 0.9923 0 743 772 24 Cosine 0.9923 -135.975 -135 0.7773 0 743 729 24 Cosine 0.7773 135.975 135 0.7724 0 743 753 24 Cosine 0.7724 67.987 67 0.7301 0 743 754 24 Cosine 0.7301 203.962 203 0.8453 0 743 763 24 Cosine 0.8453 135.975 135 0.7673 0 743 783 24 Cosine 0.7673 0.0 0 0.994 0 743 798 24 Cosine 0.994 0.0 0 0.9707 0 1549 1409 2 Cosine 0.9707 42.011 42 0.7213 0 1549 1145 2 Cosine 0.7213 0.0 0 0.9956 0 1549 845 2 Cosine 0.9956 72.021 72 0.7474 0 1549 1126 2 Cosine 0.7474 58.005 58 0.7114 0 1549 1201 2 Cosine 0.7114 1.996 1 0.7895 0 1549 1415 2 Cosine 0.7895 0.0 0 0.8998 0 1492 1509 16 Cosine 0.8998 0.0 0 0.9972 0 414 372 22 Cosine 0.9972 0.0 0 0.9724 0 591 348 2 Cosine 0.9724 13.02 13 0.8266 0 591 220 2 Cosine 0.8266 27.036 27 0.7013 0 591 205 2 Cosine 0.7013 13.02 13 0.8364 0 591 215 2 Cosine 0.8364 -0.995 0 0.8363 0 591 253 2 Cosine 0.8363 0.0 0 0.9811 0 591 315 2 Cosine 0.9811 -15.011 -15 0.8765 0 591 321 2 Cosine 0.8765 0.0 0 0.934 0 591 1324 2 Cosine 0.934 -0.0 0 0.9905 0 591 1348 2 Cosine 0.9905 -30.03 -30 0.8035 0 1345 904 5 Cosine 0.8035 42.047 42 0.9049 0 1345 1030 5 Cosine 0.9049 28.031 28 0.7829 0 1345 1208 5 Cosine 0.7829 -30.011 -30 0.824 0 1345 1356 5 Cosine 0.824 -15.853 -15 0.8047 0 1345 1466 5 Cosine 0.8047 18.01 18 0.8787 0 84 83 30 Cosine 0.8787 -1.003 -1 0.9654 0 84 86 30 Cosine 0.9654 0.0 0 0.9692 0 1320 1369 2 Cosine 0.9692 0.0 0 0.9888 0 1320 1377 2 Cosine 0.9888 0.984 0 0.7705 0 1320 1145 2 Cosine 0.7705 30.995 30 0.7851 0 1320 1126 2 Cosine 0.7851 16.979 16 0.8161 0 1320 1201 2 Cosine 0.8161 -1.996 -1 0.811 0 1320 1321 2 Cosine 0.811 1.004 1 0.9677 0 1320 1317 2 Cosine 0.9677 -1.003 -1 0.9728 0 228 229 26 Cosine 0.9728 1.003 1 0.8599 0 73 56 14 Cosine 0.8599 18.03 18 0.8523 0 73 24 14 Cosine 0.8523 15.995 15 0.7276 0 73 18 14 Cosine 0.7276 18.03 18 0.8791 0 73 67 14 Cosine 0.8791 17.027 17 0.796 0 73 25 14 Cosine 0.796 1.003 1 0.8901 0 73 27 14 Cosine 0.8901 0.0 0 0.9267 0 73 34 14 Cosine 0.9267 17.027 17 0.8919 0 73 70 14 Cosine 0.8919 -1.003 -1 0.9392 0 34 56 14 Cosine 0.9392 18.03 18 0.8478 0 34 24 14 Cosine 0.8478 15.995 15 0.7902 0 34 18 14 Cosine 0.7902 -18.03 -18 0.893 0 34 67 14 Cosine 0.893 17.027 17 0.8109 0 34 25 14 Cosine 0.8109 1.003 1 0.9492 0 34 27 14 Cosine 0.9492 -17.026 -17 0.9083 0 34 70 14 Cosine 0.9083 -0.959 0 0.8542 0 1079 1487 5 Cosine 0.8542 -49.979 -49 0.9601 0 1079 1181 5 Cosine 0.9601 33.984 33 0.9583 0 1079 1016 5 Cosine 0.9583 12.036 12 0.8458 0 1079 1355 5 Cosine 0.8458 1.004 1 0.9477 0 1079 1030 5 Cosine 0.9477 72.995 72 0.9121 0 1079 988 5 Cosine 0.9121 0.0 0 0.9779 0 1079 1029 5 Cosine 0.9779 14.016 14 0.9815 0 1079 1175 5 Cosine 0.9815 -15.958 -15 0.9189 0 1079 1378 5 Cosine 0.9189 14.016 14 0.9787 0 1208 1127 5 Cosine 0.9787 13.012 13 0.7739 0 1208 1128 5 Cosine 0.7739 1.004 1 0.9784 0 1208 1209 5 Cosine 0.9784 -1.979 -1 0.8335 0 1208 1356 5 Cosine 0.8335 13.04 13 0.8261 0 1208 1388 5 Cosine 0.8261 12.178 12 0.8602 0 1208 1466 5 Cosine 0.8602 26.016 26 0.8634 0 691 499 15 Cosine 0.8634 42.047 42 0.9661 0 691 311 15 Cosine 0.9661 26.016 26 0.9574 0 691 490 15 Cosine 0.9574 26.016 26 0.9544 0 691 442 15 Cosine 0.9544 42.047 42 0.9664 0 691 286 15 Cosine 0.9664 26.016 26 0.87 0 691 510 15 Cosine 0.87 -15.995 -15 0.872 0 691 865 15 Cosine 0.872 92.026 92 0.9094 0 691 686 15 Cosine 0.9094 -0.0 0 0.9831 0 691 695 15 Cosine 0.9831 14.016 14 0.9888 0 691 822 15 Cosine 0.9888 42.047 42 0.7473 0 1118 871 17 Cosine 0.7473 0.0 0 0.9921 0 754 730 24 Cosine 0.9921 -67.987 -67 0.7559 0 754 772 24 Cosine 0.7559 0.0 0 0.9857 0 754 768 24 Cosine 0.9857 -67.987 -67 0.9926 0 754 729 24 Cosine 0.9926 -67.987 -67 0.746 0 754 798 24 Cosine 0.746 -67.987 -67 0.9936 0 754 753 24 Cosine 0.9936 135.975 135 0.9117 0 754 763 24 Cosine 0.9117 0.0 0 0.9853 0 1039 1043 23 Cosine 0.9853 16.031 16 0.8914 0 679 361 34 Cosine 0.8914 2.016 2 0.8761 0 679 498 34 Cosine 0.8761 1.003 1 0.9431 0 679 678 34 Cosine 0.9431 -0.0 0 0.8841 0 679 693 34 Cosine 0.8841 10.021 10 0.7593 0 679 912 34 Cosine 0.7593 12.036 12 0.9504 0 1258 879 1 Cosine 0.9504 -36.011 -36 0.8988 0 1258 1085 1 Cosine 0.8988 -30.011 -30 0.9706 0 1258 1216 1 Cosine 0.9706 -1.979 -1 0.9519 0 1258 1023 1 Cosine 0.9519 44.026 44 0.9611 0 1258 1266 1 Cosine 0.9611 12.036 12 0.9503 0 1258 924 1 Cosine 0.9503 -14.016 -14 0.7126 0 121 127 20 Cosine 0.7126 -1.004 -1 0.9714 0 79 77 42 Cosine 0.9714 -3.019 -3 0.9776 0 586 606 8 Cosine 0.9776 -3.019 -3 0.9767 0 586 701 8 Cosine 0.9767 20.008 20 0.7497 0 586 1069 8 Cosine 0.7497 29.993 29 0.9436 0 240 166 4 Cosine 0.9436 1.004 1 0.9855 0 240 238 4 Cosine 0.9855 14.016 14 0.815 0 904 920 5 Cosine 0.815 -69.021 -69 0.7636 0 904 980 5 Cosine 0.7636 -15.011 -15 0.8121 0 904 1367 5 Cosine 0.8121 -45.883 -45 0.7695 0 904 1466 5 Cosine 0.7695 -67.987 -67 0.7528 0 772 768 24 Cosine 0.7528 135.975 135 0.7987 0 772 783 24 Cosine 0.7987 0.0 0 0.9982 0 772 798 24 Cosine 0.9982 1.003 1 0.9875 0 1276 1281 8 Cosine 0.9875 -18.066 -18 0.9879 0 1276 1069 8 Cosine 0.9879 -0.056 0 0.8413 0 1276 1071 8 Cosine 0.8413 1.003 1 0.9562 0 98 103 1 Cosine 0.9562 -33.984 -33 0.8888 0 107 103 1 Cosine 0.8888 48.0 48 0.9054 0 107 114 1 Cosine 0.9054 -0.0 0 0.9995 0 107 113 1 Cosine 0.9995 48.0 48 0.8792 0 107 130 1 Cosine 0.8792 67.987 67 0.9825 0 783 768 24 Cosine 0.9825 0.0 0 0.993 0 783 729 24 Cosine 0.993 -135.975 -135 0.7858 0 783 798 24 Cosine 0.7858 0.0 0 0.9926 0 783 753 24 Cosine 0.9926 -67.987 -67 0.9244 0 783 763 24 Cosine 0.9244 14.016 14 0.9986 0 1252 1157 1 Cosine 0.9986 28.031 28 0.8539 0 1252 1362 1 Cosine 0.8539 -101.048 -101 0.8859 0 1252 1263 1 Cosine 0.8859 14.016 14 0.9801 0 1252 1134 1 Cosine 0.9801 99.068 99 0.7807 0 1252 1159 1 Cosine 0.7807 -57.022 -57 0.8251 0 1252 1264 1 Cosine 0.8251 2.016 2 0.9181 0 1252 1289 1 Cosine 0.9181 -1.98 -1 0.9093 0 1252 1371 1 Cosine 0.9093 12.036 12 0.8977 0 1252 1473 1 Cosine 0.8977 -17.027 -17 0.8697 0 67 56 14 Cosine 0.8697 0.0 0 0.9222 0 67 24 14 Cosine 0.9222 -1.003 -1 0.876 0 67 25 14 Cosine 0.876 -17.027 -17 0.8973 0 67 27 14 Cosine 0.8973 1.003 1 0.945 0 67 70 14 Cosine 0.945 0.0 0 0.9882 0 975 957 13 Cosine 0.9882 -29.027 -29 0.8472 0 920 1367 5 Cosine 0.8472 0.0 0 0.9964 0 1499 1510 3 Cosine 0.9964 -33.984 -33 0.971 0 311 362 15 Cosine 0.971 16.031 16 0.8474 0 311 499 15 Cosine 0.8474 0.0 0 0.9837 0 311 286 15 Cosine 0.9837 16.031 16 0.9426 0 311 442 15 Cosine 0.9426 16.031 16 0.9427 0 311 490 15 Cosine 0.9427 16.031 16 0.8545 0 311 510 15 Cosine 0.8545 -49.979 -49 0.9216 0 311 686 15 Cosine 0.9216 42.047 42 0.969 0 311 695 15 Cosine 0.969 56.062 56 0.9567 0 311 822 15 Cosine 0.9567 14.016 14 0.9856 0 1023 879 1 Cosine 0.9856 28.031 28 0.9806 0 1023 1216 1 Cosine 0.9806 -23.975 -23 0.735 0 1023 471 1 Cosine 0.735 14.016 14 0.9771 0 1023 924 1 Cosine 0.9771 42.047 42 0.9483 0 1023 1266 1 Cosine 0.9483 -18.01 -18 0.785 0 1229 1374 19 Cosine 0.785 1.003 1 0.7941 0 678 693 34 Cosine 0.7941 13.02 13 0.852 0 215 348 2 Cosine 0.852 0.0 0 0.9877 0 215 220 2 Cosine 0.9877 48.0 48 0.8857 0 215 181 2 Cosine 0.8857 14.016 14 0.9217 0 215 205 2 Cosine 0.9217 14.016 14 0.9426 0 215 207 2 Cosine 0.9426 14.016 14 0.9747 0 215 253 2 Cosine 0.9747 13.02 13 0.8536 0 215 315 2 Cosine 0.8536 28.031 28 0.9345 0 215 321 2 Cosine 0.9345 13.02 13 0.8399 0 215 1348 2 Cosine 0.8399 0.0 0 0.9903 0 38 62 7 Cosine 0.9903 17.027 17 0.8115 0 24 56 14 Cosine 0.8115 -2.035 -2 0.7107 0 24 18 14 Cosine 0.7107 1.003 1 0.8494 0 24 25 14 Cosine 0.8494 17.027 17 0.8424 0 24 27 14 Cosine 0.8424 1.004 1 0.89 0 24 70 14 Cosine 0.89 14.016 14 0.9434 0 1234 1174 1 Cosine 0.9434 -15.995 -15 0.7843 0 1234 1138 1 Cosine 0.7843 -67.987 -67 0.9874 0 768 729 24 Cosine 0.9874 -67.987 -67 0.9887 0 768 753 24 Cosine 0.9887 -135.975 -135 0.9089 0 768 763 24 Cosine 0.9089 -67.987 -67 0.7444 0 768 798 24 Cosine 0.7444 -1.003 -1 0.9877 0 502 505 1 Cosine 0.9877 0.0 0 0.9967 0 502 506 1 Cosine 0.9967 -23.975 -23 0.955 0 502 1187 1 Cosine 0.955 -129.043 -129 0.7726 0 1524 1522 2 Cosine 0.7726 15.0 15 0.8532 0 1378 1487 5 Cosine 0.8532 34.021 34 0.9159 0 1378 1181 5 Cosine 0.9159 18.026 18 0.9395 0 1378 1016 5 Cosine 0.9395 -14.955 -14 0.8768 0 1378 1030 5 Cosine 0.8768 57.037 57 0.8676 0 1378 988 5 Cosine 0.8676 -15.958 -15 0.9349 0 1378 1029 5 Cosine 0.9349 -29.974 -29 0.9269 0 1378 1175 5 Cosine 0.9269 0.984 0 0.8697 0 1378 1426 5 Cosine 0.8697 0.948 0 0.8219 0 1290 945 18 Cosine 0.8219 1.003 1 0.988 0 1206 1207 19 Cosine 0.988 14.041 14 0.9401 0 1206 1246 19 Cosine 0.9401 -86.976 -86 0.8083 0 1206 1374 19 Cosine 0.8083 14.991 14 0.7747 0 56 18 14 Cosine 0.7747 16.023 16 0.8543 0 56 25 14 Cosine 0.8543 0.0 0 0.9886 0 56 27 14 Cosine 0.9886 -16.023 -16 0.8905 0 56 70 14 Cosine 0.8905 1.003 1 0.9837 0 439 440 1 Cosine 0.9837 -2.007 -2 0.9572 0 439 432 1 Cosine 0.9572 1.003 1 0.9837 0 439 465 1 Cosine 0.9837 0.0 0 0.9993 0 439 466 1 Cosine 0.9993 1.003 1 0.9817 0 439 505 1 Cosine 0.9817 2.007 2 0.9687 0 439 506 1 Cosine 0.9687 -33.984 -33 0.8812 0 103 113 1 Cosine 0.8812 14.016 14 0.9624 0 103 114 1 Cosine 0.9624 14.016 14 0.9145 0 103 130 1 Cosine 0.9145 -23.975 -23 0.8001 0 103 278 1 Cosine 0.8001 -23.975 -23 0.795 0 103 305 1 Cosine 0.795 -1.996 -1 0.8308 0 1415 1409 2 Cosine 0.8308 40.015 40 0.7212 0 1415 1145 2 Cosine 0.7212 -1.996 -1 0.7891 0 1415 845 2 Cosine 0.7891 70.025 70 0.7135 0 1415 1126 2 Cosine 0.7135 0.0 0 0.9542 0 187 156 38 Cosine 0.9542 28.989 28 0.9044 0 238 166 4 Cosine 0.9044 42.047 42 0.8001 0 1155 1107 1 Cosine 0.8001 14.016 14 0.7717 0 1155 1264 1 Cosine 0.7717 83.073 83 0.8801 0 1155 1473 1 Cosine 0.8801 -0.0 0 0.9828 0 1348 348 2 Cosine 0.9828 13.02 13 0.8316 0 1348 220 2 Cosine 0.8316 -0.995 0 0.8429 0 1348 253 2 Cosine 0.8429 -0.0 0 0.9405 0 1348 1324 2 Cosine 0.9405 27.036 27 0.7088 0 1348 207 2 Cosine 0.7088 -0.0 0 0.9921 0 1348 315 2 Cosine 0.9921 -15.011 -15 0.8766 0 1348 321 2 Cosine 0.8766 -2.007 -2 0.9591 0 432 466 1 Cosine 0.9591 14.158 14 0.8731 0 1466 1356 5 Cosine 0.8731 26.194 26 0.8424 0 1466 1127 5 Cosine 0.8424 11.174 11 0.8072 0 1466 1209 5 Cosine 0.8072 -0.862 0 0.9462 0 1466 1388 5 Cosine 0.9462 50.016 50 0.9416 0 490 362 15 Cosine 0.9416 0.0 0 0.9151 0 490 499 15 Cosine 0.9151 16.031 16 0.9325 0 490 286 15 Cosine 0.9325 -0.0 0 0.9922 0 490 442 15 Cosine 0.9922 0.0 0 0.9214 0 490 510 15 Cosine 0.9214 -66.01 -66 0.8836 0 490 686 15 Cosine 0.8836 26.016 26 0.9545 0 490 695 15 Cosine 0.9545 40.031 40 0.9504 0 490 822 15 Cosine 0.9504 60.036 60 0.8516 0 865 362 15 Cosine 0.8516 -50.027 -50 0.7808 0 865 1124 15 Cosine 0.7808 26.052 26 0.8419 0 865 286 15 Cosine 0.8419 76.031 76 0.854 0 865 686 15 Cosine 0.854 -15.995 -15 0.8815 0 865 695 15 Cosine 0.8815 -30.011 -30 0.8781 0 865 822 15 Cosine 0.8781 40.031 40 0.8398 0 822 499 15 Cosine 0.8398 40.031 40 0.9472 0 822 442 15 Cosine 0.9472 56.062 56 0.9561 0 822 286 15 Cosine 0.9561 40.031 40 0.8456 0 822 510 15 Cosine 0.8456 106.042 106 0.9107 0 822 686 15 Cosine 0.9107 14.016 14 0.984 0 822 695 15 Cosine 0.984 14.041 14 0.9365 0 1242 1207 19 Cosine 0.9365 -1.003 -1 0.9831 0 1242 1246 19 Cosine 0.9831 0.0 0 0.9896 0 1242 1272 19 Cosine 0.9896 0.0 0 0.9798 0 1242 1298 19 Cosine 0.9798 28.031 28 0.8797 0 1242 1121 19 Cosine 0.8797 54.011 54 0.9144 0 1242 1033 19 Cosine 0.9144 1.004 1 0.9438 0 171 173 44 Cosine 0.9438 0.0 0 0.9979 0 729 753 24 Cosine 0.9979 1.003 1 0.9881 0 929 928 11 Cosine 0.9881 12.037 12 0.7876 0 1174 922 1 Cosine 0.7876 -70.034 -70 0.9282 0 1216 1192 1 Cosine 0.9282 42.047 42 0.984 0 1216 879 1 Cosine 0.984 42.047 42 0.9661 0 1216 924 1 Cosine 0.9661 14.016 14 0.98 0 1216 1266 1 Cosine 0.98 0.0 0 0.99 0 315 348 2 Cosine 0.99 13.02 13 0.8432 0 315 220 2 Cosine 0.8432 -0.995 0 0.8543 0 315 253 2 Cosine 0.8543 0.0 0 0.9479 0 315 1324 2 Cosine 0.9479 27.036 27 0.7156 0 315 207 2 Cosine 0.7156 15.011 15 0.8916 0 315 321 2 Cosine 0.8916 72.036 72 0.8639 0 1487 988 5 Cosine 0.8639 33.025 33 0.8643 0 1487 1016 5 Cosine 0.8643 -0.959 0 0.8741 0 1487 1029 5 Cosine 0.8741 -14.974 -14 0.851 0 1487 1175 5 Cosine 0.851 14.016 14 0.8909 0 1487 1426 5 Cosine 0.8909 -1.979 -1 0.8335 0 1209 1355 5 Cosine 0.8335 14.016 14 0.9834 0 1209 1128 5 Cosine 0.9834 2.016 2 0.8963 0 1209 1256 5 Cosine 0.8963 42.047 42 0.7921 0 1209 1367 5 Cosine 0.7921 12.036 12 0.8896 0 1209 1388 5 Cosine 0.8896 50.016 50 0.941 0 362 442 15 Cosine 0.941 50.016 50 0.8499 0 362 499 15 Cosine 0.8499 50.016 50 0.8567 0 362 510 15 Cosine 0.8567 -15.995 -15 0.9174 0 362 686 15 Cosine 0.9174 1.003 1 0.9899 0 1246 1272 19 Cosine 0.9899 1.003 1 0.9668 0 1246 1298 19 Cosine 0.9668 12.036 12 0.8052 0 1127 1356 5 Cosine 0.8052 1.004 1 0.979 0 1127 1128 5 Cosine 0.979 -49.979 -49 0.9754 0 1205 1053 1 Cosine 0.9754 -15.995 -15 0.9905 0 1205 1036 1 Cosine 0.9905 62.015 62 0.9681 0 1205 1365 1 Cosine 0.9681 -48.976 -48 0.9411 0 1205 1112 1 Cosine 0.9411 -63.995 -63 0.9862 0 1205 1195 1 Cosine 0.9862 -48.976 -48 0.9469 0 1205 1054 1 Cosine 0.9469 -49.979 -49 0.9692 0 1205 1111 1 Cosine 0.9692 92.026 92 0.9839 0 1205 1354 1 Cosine 0.9839 34.021 34 0.9522 0 1205 1407 1 Cosine 0.9522 35.005 35 0.947 0 1205 1457 1 Cosine 0.947 -1.003 -1 0.9937 0 110 111 21 Cosine 0.9937 -40.031 -40 0.7057 0 1051 1033 19 Cosine 0.7057 0.0 0 0.9395 0 1136 1168 25 Cosine 0.9395 -17.956 -17 0.8092 0 1150 1144 45 Cosine 0.8092 0.0 0 0.9169 0 442 499 15 Cosine 0.9169 16.031 16 0.9308 0 442 286 15 Cosine 0.9308 0.0 0 0.9203 0 442 510 15 Cosine 0.9203 -66.01 -66 0.8843 0 442 686 15 Cosine 0.8843 26.016 26 0.9489 0 442 695 15 Cosine 0.9489 112.081 112 0.9082 0 879 1192 1 Cosine 0.9082 -0.0 0 0.9752 0 879 924 1 Cosine 0.9752 113.084 113 0.8734 0 879 1187 1 Cosine 0.8734 56.063 56 0.9468 0 879 1266 1 Cosine 0.9468 35.005 35 0.8375 0 1426 1181 5 Cosine 0.8375 58.021 58 0.8703 0 1426 988 5 Cosine 0.8703 -14.974 -14 0.8525 0 1426 1029 5 Cosine 0.8525 14.016 14 0.9867 0 1195 1053 1 Cosine 0.9867 48.0 48 0.9847 0 1195 1036 1 Cosine 0.9847 -1.979 -1 0.9713 0 1195 1365 1 Cosine 0.9713 15.019 15 0.9443 0 1195 1112 1 Cosine 0.9443 15.019 15 0.9482 0 1195 1054 1 Cosine 0.9482 14.016 14 0.9844 0 1195 1111 1 Cosine 0.9844 28.031 28 0.9779 0 1195 1354 1 Cosine 0.9779 -29.974 -29 0.9618 0 1195 1407 1 Cosine 0.9618 -28.99 -28 0.9518 0 1195 1457 1 Cosine 0.9518 16.031 16 0.8493 0 460 660 1 Cosine 0.8493 0.0 0 0.9907 0 460 471 1 Cosine 0.9907 14.016 14 0.7932 0 460 640 1 Cosine 0.7932 0.0 0 0.9756 0 1377 1369 2 Cosine 0.9756 30.995 30 0.7698 0 1377 1126 2 Cosine 0.7698 0.984 0 0.7564 0 1377 1145 2 Cosine 0.7564 16.979 16 0.8103 0 1377 1201 2 Cosine 0.8103 1.004 1 0.9595 0 1377 1317 2 Cosine 0.9595 1.996 1 0.8078 0 1377 1321 2 Cosine 0.8078 -15.995 -15 0.701 0 1377 1522 2 Cosine 0.701 2.015 2 0.7507 0 693 498 34 Cosine 0.7507 16.031 16 0.8579 0 693 361 34 Cosine 0.8579 -0.036 0 0.7475 0 870 1259 33 Cosine 0.7475 56.062 56 0.7524 0 137 205 2 Cosine 0.7524 56.063 56 0.7246 0 137 207 2 Cosine 0.7246 0.0 0 0.924 0 617 559 10 Cosine 0.924 -1.003 -1 0.9902 0 622 628 1 Cosine 0.9902 -23.975 -23 0.9554 0 622 1187 1 Cosine 0.9554 -57.022 -57 0.736 0 1522 1409 2 Cosine 0.736 1.003 1 0.9863 0 390 372 22 Cosine 0.9863 -63.995 -63 0.9496 0 1175 1181 5 Cosine 0.9496 48.0 48 0.9667 0 1175 1016 5 Cosine 0.9667 -1.979 -1 0.8749 0 1175 1355 5 Cosine 0.8749 15.019 15 0.8683 0 1175 1030 5 Cosine 0.8683 87.011 87 0.896 0 1175 988 5 Cosine 0.896 14.016 14 0.984 0 1175 1029 5 Cosine 0.984 -66.01 -66 0.8099 0 686 499 15 Cosine 0.8099 -49.979 -49 0.9017 0 686 286 15 Cosine 0.9017 92.026 92 0.9231 0 686 695 15 Cosine 0.9231 33.012 33 0.8554 0 911 606 8 Cosine 0.8554 0.0 0 0.9632 0 1298 1272 19 Cosine 0.9632 54.011 54 0.9388 0 1298 1033 19 Cosine 0.9388 28.031 28 0.8484 0 1298 1121 19 Cosine 0.8484 1.996 1 0.8024 0 1321 1369 2 Cosine 0.8024 -0.026 0 0.7826 0 1321 1352 2 Cosine 0.7826 -0.992 0 0.8136 0 1321 1317 2 Cosine 0.8136 -15.011 -15 0.8874 0 321 348 2 Cosine 0.8874 28.031 28 0.9381 0 321 220 2 Cosine 0.9381 76.031 76 0.7494 0 321 181 2 Cosine 0.7494 14.016 14 0.9575 0 321 253 2 Cosine 0.9575 -15.011 -15 0.8592 0 321 1324 2 Cosine 0.8592 42.047 42 0.7629 0 321 207 2 Cosine 0.7629 12.036 12 0.8233 0 1128 1355 5 Cosine 0.8233 16.032 16 0.8988 0 1128 1256 5 Cosine 0.8988 26.052 26 0.8807 0 1128 1388 5 Cosine 0.8807 17.026 17 0.8945 0 5 4 12 Cosine 0.8945 45.058 45 0.9447 0 5 3 12 Cosine 0.9447 46.061 46 0.9164 0 5 2 12 Cosine 0.9164 -1.003 -1 0.9668 0 1112 1053 1 Cosine 0.9668 32.981 32 0.9328 0 1112 1036 1 Cosine 0.9328 13.04 13 0.9471 0 1112 1365 1 Cosine 0.9471 0.0 0 0.9956 0 1112 1054 1 Cosine 0.9956 -1.003 -1 0.9804 0 1112 1111 1 Cosine 0.9804 43.05 43 0.9486 0 1112 1354 1 Cosine 0.9486 -14.955 -14 0.9562 0 1112 1407 1 Cosine 0.9562 -49.979 -49 0.964 0 1029 1181 5 Cosine 0.964 33.984 33 0.9696 0 1029 1016 5 Cosine 0.9696 -1.004 -1 0.9795 0 1029 1030 5 Cosine 0.9795 72.995 72 0.912 0 1029 988 5 Cosine 0.912 44.063 44 0.7069 0 476 205 2 Cosine 0.7069 12.966 12 0.8146 0 476 979 2 Cosine 0.8146 11.982 11 0.7152 0 476 1171 2 Cosine 0.7152 1.998 1 0.9824 0 129 131 29 Cosine 0.9824 0.0 0 0.9946 0 391 307 2 Cosine 0.9946 16.031 16 0.8357 0 286 499 15 Cosine 0.8357 16.031 16 0.8428 0 286 510 15 Cosine 0.8428 42.047 42 0.9682 0 286 695 15 Cosine 0.9682 -0.984 0 0.9294 0 979 1171 2 Cosine 0.9294 0.0 0 0.9793 0 1157 1134 1 Cosine 0.9793 -85.053 -85 0.7621 0 1157 1159 1 Cosine 0.7621 -87.032 -87 0.8965 0 1157 1263 1 Cosine 0.8965 16.031 16 0.9281 0 1157 1289 1 Cosine 0.9281 42.047 42 0.8315 0 1157 1362 1 Cosine 0.8315 12.036 12 0.9034 0 1157 1371 1 Cosine 0.9034 26.052 26 0.8872 0 1157 1473 1 Cosine 0.8872 42.047 42 0.7592 0 1264 1159 1 Cosine 0.7592 48.0 48 0.8689 0 181 220 2 Cosine 0.8689 -16.957 -16 0.8133 0 181 1409 2 Cosine 0.8133 33.984 33 0.8287 0 181 205 2 Cosine 0.8287 33.984 33 0.8502 0 181 207 2 Cosine 0.8502 0.948 0 0.8453 0 1071 1281 8 Cosine 0.8453 17.974 17 0.8072 0 1071 1279 8 Cosine 0.8072 27.047 27 0.8018 0 1071 944 8 Cosine 0.8018 -18.011 -18 0.8687 0 1071 1069 8 Cosine 0.8687 42.047 42 0.9642 0 1354 1053 1 Cosine 0.9642 76.031 76 0.9747 0 1354 1036 1 Cosine 0.9747 -30.011 -30 0.9748 0 1354 1365 1 Cosine 0.9748 -57.021 -57 0.9442 0 1354 1457 1 Cosine 0.9442 42.047 42 0.9523 0 1354 1111 1 Cosine 0.9523 43.05 43 0.9568 0 1354 1054 1 Cosine 0.9568 -58.005 -58 0.9635 0 1354 1407 1 Cosine 0.9635 56.063 56 0.9368 0 924 1266 1 Cosine 0.9368 12.036 12 0.826 0 1263 1107 1 Cosine 0.826 -87.032 -87 0.8771 0 1263 1134 1 Cosine 0.8771 -1.979 -1 0.8537 0 1263 1159 1 Cosine 0.8537 103.063 103 0.8799 0 1263 1289 1 Cosine 0.8799 27.036 27 0.7037 0 205 348 2 Cosine 0.7037 14.016 14 0.8702 0 205 220 2 Cosine 0.8702 0.0 0 0.9813 0 205 207 2 Cosine 0.9813 28.031 28 0.8302 0 205 253 2 Cosine 0.8302 54.01 54 0.8641 0 980 1367 5 Cosine 0.8641 28.031 28 0.8731 0 1121 1272 19 Cosine 0.8731 25.979 25 0.7952 0 1121 1033 19 Cosine 0.7952 0.0 0 0.9737 0 752 763 24 Cosine 0.9737 0.0 0 0.9808 0 1111 1053 1 Cosine 0.9808 33.984 33 0.9677 0 1111 1036 1 Cosine 0.9677 12.036 12 0.9607 0 1111 1365 1 Cosine 0.9607 -14.974 -14 0.937 0 1111 1457 1 Cosine 0.937 1.003 1 0.9742 0 1111 1054 1 Cosine 0.9742 -15.958 -15 0.9646 0 1111 1407 1 Cosine 0.9646 48.0 48 0.8962 0 113 114 1 Cosine 0.8962 48.0 48 0.8758 0 113 130 1 Cosine 0.8758 66.01 66 0.8412 0 1256 1181 5 Cosine 0.8412 50.016 50 0.8487 0 1256 1016 5 Cosine 0.8487 89.026 89 0.8498 0 1256 988 5 Cosine 0.8498 10.021 10 0.8264 0 1256 1388 5 Cosine 0.8264 27.036 27 0.7191 0 207 348 2 Cosine 0.7191 14.016 14 0.8919 0 207 220 2 Cosine 0.8919 28.031 28 0.8501 0 207 253 2 Cosine 0.8501 -1.003 -1 0.9849 0 440 466 1 Cosine 0.9849 16.031 16 0.9417 0 1289 1134 1 Cosine 0.9417 -3.995 -3 0.8857 0 1289 1371 1 Cosine 0.8857 79.042 79 0.7278 0 305 1187 1 Cosine 0.7278 0.0 0 0.9865 0 305 278 1 Cosine 0.9865 42.011 42 0.7245 0 1145 1409 2 Cosine 0.7245 0.984 0 0.7348 0 1145 1369 2 Cosine 0.7348 30.011 30 0.9104 0 1145 1126 2 Cosine 0.9104 -15.995 -15 0.8751 0 1145 1201 2 Cosine 0.8751 0.0 0 0.9888 0 606 701 8 Cosine 0.9888 -0.036 0 0.9895 0 1279 1069 8 Cosine 0.9895 1.004 1 0.9543 0 1317 1369 2 Cosine 0.9543 79.042 79 0.723 0 278 1187 1 Cosine 0.723 0.0 0 0.9717 0 845 1409 2 Cosine 0.9717 -72.021 -72 0.7196 0 845 1126 2 Cosine 0.7196 0.0 0 0.9795 0 371 392 28 Cosine 0.9795 16.031 16 0.793 0 471 660 1 Cosine 0.793 14.016 14 0.7377 0 471 640 1 Cosine 0.7377 58.005 58 0.7122 0 1201 1409 2 Cosine 0.7122 16.979 16 0.8222 0 1201 1369 2 Cosine 0.8222 14.016 14 0.895 0 1201 1126 2 Cosine 0.895 -1.003 -1 0.9855 0 1192 1187 1 Cosine 0.9855 -56.018 -56 0.9546 0 1192 1266 1 Cosine 0.9546 14.041 14 0.9177 0 1207 1272 19 Cosine 0.9177 23.016 23 0.9185 0 1181 988 5 Cosine 0.9185 -15.995 -15 0.9649 0 1181 1016 5 Cosine 0.9649 -48.975 -48 0.8689 0 1181 1030 5 Cosine 0.8689 -30.01 -30 0.8576 0 1367 1388 5 Cosine 0.8576 29.035 29 0.8096 0 4 2 12 Cosine 0.8096 28.031 28 0.8896 0 4 3 12 Cosine 0.8896 1.003 1 0.9817 0 505 466 1 Cosine 0.9817 -1.004 -1 0.9604 0 1355 1356 5 Cosine 0.9604 14.016 14 0.8802 0 1355 1388 5 Cosine 0.8802 -15.995 -15 0.9447 0 1473 1362 1 Cosine 0.9447 -30.011 -30 0.9315 0 1473 1389 1 Cosine 0.9315 26.052 26 0.9358 0 1473 1134 1 Cosine 0.9358 14.016 14 0.9633 0 1473 1371 1 Cosine 0.9633 1.003 1 0.9345 0 3 2 12 Cosine 0.9345 0.0 0 0.991 0 499 510 15 Cosine 0.991 26.016 26 0.8619 0 499 695 15 Cosine 0.8619 12.036 12 0.9697 0 1365 1053 1 Cosine 0.9697 13.04 13 0.9538 0 1365 1054 1 Cosine 0.9538 44.026 44 0.9214 0 1365 1389 1 Cosine 0.9214 -27.995 -27 0.9563 0 1365 1407 1 Cosine 0.9563 -27.011 -27 0.9618 0 1365 1457 1 Cosine 0.9618 17.027 17 0.9249 0 384 378 31 Cosine 0.9249 0.0 0 0.9998 0 384 415 31 Cosine 0.9998 0.0 0 0.9936 0 384 380 31 Cosine 0.9936 72.021 72 0.7598 0 1126 1409 2 Cosine 0.7598 30.995 30 0.7586 0 1126 1369 2 Cosine 0.7586 12.036 12 0.7202 0 912 498 34 Cosine 0.7202 26.052 26 0.7334 0 912 361 34 Cosine 0.7334 0.0 0 0.945 0 114 130 1 Cosine 0.945 17.027 17 0.9243 0 415 378 31 Cosine 0.9243 0.0 0 0.9938 0 415 380 31 Cosine 0.9938 -15.958 -15 0.966 0 1407 1053 1 Cosine 0.966 18.026 18 0.9622 0 1407 1036 1 Cosine 0.9622 0.984 0 0.9693 0 1407 1457 1 Cosine 0.9693 -14.955 -14 0.9614 0 1407 1054 1 Cosine 0.9614 -30.011 -30 0.9071 0 1362 1371 1 Cosine 0.9071 14.016 14 0.941 0 1362 1389 1 Cosine 0.941 26.016 26 0.8631 0 695 510 15 Cosine 0.8631 2.007 2 0.9696 0 506 466 1 Cosine 0.9696 -23.975 -23 0.9549 0 506 1187 1 Cosine 0.9549 33.984 33 0.9738 0 1036 1053 1 Cosine 0.9738 32.981 32 0.9386 0 1036 1054 1 Cosine 0.9386 19.01 19 0.9604 0 1036 1457 1 Cosine 0.9604 14.016 14 0.8648 0 1107 1159 1 Cosine 0.8648 0.885 0 0.9717 0 1107 1102 1 Cosine 0.9717 14.016 14 0.8205 0 361 498 34 Cosine 0.8205 -1.003 -1 0.9847 0 466 465 1 Cosine 0.9847 39.011 39 0.9167 0 988 1016 5 Cosine 0.9167 17.007 17 0.8619 0 86 83 30 Cosine 0.8619 -1.003 -1 0.9662 0 1054 1053 1 Cosine 0.9662 -13.971 -13 0.9238 0 1054 1457 1 Cosine 0.9238 -0.01 0 1.0 0 182 138 9 Cosine 1.0 -257.102 -257 0.7801 0 995 998 35 Cosine 0.7801 -1.003 -1 0.9809 0 1376 1374 19 Cosine 0.9809 12.036 12 0.9391 0 1134 1371 1 Cosine 0.9391 12.036 12 0.8458 0 1030 1356 5 Cosine 0.8458 -0.995 0 0.848 0 253 348 2 Cosine 0.848 14.016 14 0.9937 0 253 220 2 Cosine 0.9937 -0.995 0 0.8258 0 253 1324 2 Cosine 0.8258 54.011 54 0.9092 0 1272 1033 19 Cosine 0.9092 -1.032 -1 0.878 0 25 18 14 Cosine 0.878 16.023 16 0.8643 0 25 27 14 Cosine 0.8643 0.0 0 0.917 0 25 70 14 Cosine 0.917 14.991 14 0.8004 0 27 18 14 Cosine 0.8004 -16.023 -16 0.9118 0 27 70 14 Cosine 0.9118 -14.974 -14 0.9519 0 1457 1053 1 Cosine 0.9519 -71.037 -71 0.9325 0 1457 1389 1 Cosine 0.9325 -1.032 -1 0.7847 0 18 70 14 Cosine 0.7847 0.0 0 0.941 0 1324 348 2 Cosine 0.941 -1.04 -1 0.8045 0 1352 1353 2 Cosine 0.8045 17.027 17 0.9243 0 380 378 31 Cosine 0.9243 13.02 13 0.8396 0 348 220 2 Cosine 0.8396 -0.0 0 0.8715 0 858 820 27 Cosine 0.8715 nf_output/networking/clustersummary_with_groups.tsv0000644000000000000000000004666014777454545022317 0ustar rootrootcluster index parent mass RTMean 1 124.08669564836464 0.884114 2 709.5135709142155 0.9277029 3 708.5102830575064 0.92855316 4 680.4788218943072 0.94213986 5 663.4525341847894 0.94251555 8 124.0866635483428 0.9758523 13 338.3410184191165 0.94918865 14 228.19530207513023 0.9487448 15 431.3836089366016 0.94785005 16 171.14883588649835 0.96850353 18 392.253772671759 0.95138794 19 144.98179283118262 0.9658699 24 394.2890043118055 0.9663088 25 393.2855729410101 0.9663088 27 377.2624336443359 0.96850294 34 376.2589851838652 0.9727521 38 421.31661595485554 0.9779623 39 88.07551193113026 0.97947496 53 124.08666138918748 0.993165 56 377.2624197988114 0.9718469 59 432.2372666227246 1.0112926 62 421.3166253437647 0.97587925 63 387.179513993051 1.0174752 64 404.206042018552 1.0174752 66 88.07550968410891 0.9884599 67 394.2889108048021 0.9842202 68 351.23847785630625 1.0211498 70 393.2854598750544 0.9889083 73 376.25890207776246 0.99538916 74 288.2529471652366 1.0429213 75 331.0807619477385 1.0405952 77 326.3776187676901 1.0575842 78 171.14889188727136 1.0486741 79 327.3810916038047 1.0591878 80 163.13257303241096 1.0823013 81 393.2854036509345 1.0183046 83 244.1904237605233 1.0973613 84 226.1798566023925 1.0981086 85 266.17230843797444 1.0986773 86 227.1831032067456 1.0987782 87 304.29949433328 1.1027321 88 305.30293167052633 1.1067916 92 251.18498943129944 1.1416863 93 124.08670965523844 1.1556855 94 216.0559227001227 1.1569017 95 214.04970061718825 1.1580465 97 215.0529211514825 1.1586148 98 212.14716102940864 1.1687001 99 258.2788169776792 1.167492 100 88.07553334535379 1.1669827 101 180.10163704706503 1.1693052 102 259.28220830541363 1.1698533 103 211.143882330612 1.1725975 104 367.2087928080393 1.1786896 106 164.07039862833477 1.1870936 107 245.1281492380409 1.1915327 108 284.13905400436323 1.1924504 110 230.2476229409027 1.208052 111 231.2509189682441 1.2119467 113 245.1282150522416 1.2145875 114 197.1282601988709 1.232969 115 200.23706200725795 1.2285993 116 402.3573877818645 1.2316772 117 144.04758008856655 1.2390124 119 284.1390667992057 1.1856359 120 110.05986025284652 1.3090072 121 156.10173858023458 1.2697691 122 590.2061363974616 1.27046 123 138.09113936072484 1.286875 124 96.0442997411288 1.286875 125 162.06601688304164 1.2898526 127 170.11734099333302 1.2949688 128 210.1097480469689 1.3193958 129 146.98014902199242 1.2979198 130 197.12825593496416 1.2959038 131 144.98196187706563 1.3213226 135 169.07576992147565 1.3398076 137 246.1519543589688 1.3437899 138 195.11265710236808 1.3443106 140 154.0860441472675 1.3451465 142 110.0598549901638 1.3488079 148 243.14891618061824 1.3506924 151 126.05477443803215 1.3522042 152 100.07552017645202 1.3522406 156 283.12204191444454 1.3535328 166 298.0965493713124 1.3567747 167 227.17513409439653 1.3601131 170 239.1486489095845 1.3637681 171 332.20810646332137 1.3653196 173 331.2046411437328 1.3668481 175 353.18635058440617 1.3700385 177 124.08674078601246 1.378172 178 123.05520806435112 1.3835589 181 224.07373638627203 1.3882531 182 195.1224565621741 1.3905834 184 210.1097363228984 1.3884922 187 283.1220435150896 1.3583255 190 195.11287983767883 1.3899492 191 249.13438273444345 1.4200606 192 105.06971063859694 1.4354923 193 393.28554314722027 1.3910813 195 124.08674995537856 1.3871161 196 393.28567548041735 1.4236475 197 151.09631717250656 1.4888855 198 348.14383698933153 1.4761354 199 375.0811540275393 1.489473 201 353.0992471828444 1.4867625 202 337.03648815326005 1.5395262 203 321.06256590229526 1.5395222 204 298.0966397086858 1.6940964 205 190.08951118437503 1.7135324 206 144.98195244122175 1.9972055 207 190.0894178152409 1.9916908 208 146.08097871921322 1.9896737 209 267.1449176772506 1.9950703 210 152.07041948711262 2.0314512 211 170.08106776554337 2.0327005 212 171.08430196994564 2.037283 213 331.2046255896961 2.049584 214 212.10276003144267 2.2255604 215 176.07386576343754 2.2393477 216 395.1961437435049 2.25555 217 171.07623002808543 2.4603689 218 136.06166758377617 2.4618294 219 162.99758522735817 2.464494 220 176.07378886026444 2.466533 221 212.1027452521681 2.4712422 222 234.0846850483877 2.4712543 224 251.1500001009124 2.490054 225 170.08096549677393 2.497286 227 242.09971739527816 2.5311325 228 220.11781080236509 2.5324228 229 221.1210520053073 2.5324228 231 137.04566565562763 2.61302 232 167.09253949646646 2.6150174 233 159.02756167849526 2.6262987 234 175.00145180579432 2.6233456 235 83.06022538821384 2.6915092 236 159.02754096432605 2.6711876 238 269.1074820276356 2.733594 239 136.06159150189967 2.7327607 240 268.103853951424 2.735583 241 124.0867204867036 2.7465951 242 206.04549179878435 2.7396824 246 169.05813466701616 2.7622888 247 147.07620312825443 2.7634428 249 251.14995309511343 2.8096216 250 124.08672952186082 2.7857726 251 166.07212983034697 2.8522704 252 86.09628372212455 2.8936963 253 162.0582063782167 2.922553 254 158.08114129553522 3.0417824 255 124.03925425687731 3.3331635 256 131.11768354659372 3.5462894 259 147.03008748928804 3.6102345 265 237.1342771902892 3.554259 268 104.10690922607166 3.615613 270 105.1101628079843 3.5773337 276 356.99219855042145 3.6094525 277 257.10061043785606 3.6021051 278 235.11878342337727 3.6104362 279 104.10691140742011 3.6254394 281 146.02691561369866 3.617239 282 189.99069726862683 3.6186962 284 104.10691151684348 3.6318386 285 105.11016638499711 3.6433537 286 270.1921498403816 3.6826499 289 307.0436219791634 3.8853528 297 291.0697298907951 3.9010928 298 257.1006228106187 3.904753 299 270.1921248236023 3.9918861 305 235.11874356344256 3.9848194 307 146.02687268396707 3.9806588 308 314.09137691435643 3.989151 310 269.0877500718245 3.9971244 311 270.1921288646996 3.9987442 313 137.04561392556303 4.0023994 314 268.1037209235785 4.003829 315 163.05335215225128 4.0424848 317 152.05653168599866 4.009559 321 148.04256672639687 4.012652 324 213.08672615987487 4.018884 334 245.18571573726572 4.136272 345 134.11737910350053 4.1628757 348 163.0533777453292 4.1968255 349 137.04558546014155 4.19949 352 268.1037602942401 4.2119775 353 229.118040650464 4.229315 354 245.18574102113112 4.2097106 356 200.10278438614216 4.2574863 357 268.1037589105309 4.217879 358 270.1922424181455 4.279421 359 189.99075931378115 4.327314 360 134.11743645494067 4.2845025 361 242.18611577228643 4.3433714 362 304.1765208263302 4.7402077 363 172.13294299742864 4.7589955 364 189.9905913432856 4.772744 367 159.09139985691644 4.8108883 371 120.08061352243423 4.8438725 372 167.08935800092092 4.845658 373 266.07438437754746 4.819725 375 249.0607079423268 4.8210406 378 205.09695945152035 4.8233333 380 188.07038343865275 4.8246927 384 188.07038967593124 4.8265615 385 266.07438495902727 4.8215938 390 166.08609631348253 4.846532 391 146.02679892343698 4.84755 392 120.08061021815044 4.850492 393 176.11331845539647 4.850525 405 124.08671779184456 4.861618 406 242.18597353886392 4.893828 414 167.0893640074416 4.8583703 415 188.070370874549 4.853523 432 132.10181358254428 5.070786 439 134.10843493246685 5.0749183 440 133.10514633013727 5.075796 441 132.10180873486888 5.0757966 442 254.16086399050823 5.076235 444 86.09634855868607 5.0771127 460 231.1700284982437 5.157729 462 86.09635085819752 5.0803976 464 132.1018131478376 5.079959 465 133.10514770247934 5.0799584 466 134.10843686992123 5.079081 471 231.17003514728088 5.1624675 472 177.068867688938 5.0954223 476 146.02680791872297 5.2020907 482 170.06097130330835 5.208097 485 322.054438749271 5.261234 486 306.0806507387645 5.269045 487 284.09869474213104 5.2824006 490 254.1609829416835 5.2925267 498 228.1703774765928 5.428404 499 254.16093846752423 5.4288635 500 176.06557454370355 5.4312606 501 86.09634303157317 5.453327 502 132.10179944532445 5.452833 505 133.10515142846097 5.4484563 506 132.10179448037488 5.4554677 507 86.09633268244676 5.4559617 508 192.0394553458964 5.4579144 510 254.160928157678 5.431993 518 208.01345244401543 5.4915414 529 122.9244093086683 5.570595 530 458.7694151411931 5.5711894 532 206.88568577248728 5.572176 534 542.7307149004203 5.5728345 537 290.8469756666516 5.574323 539 292.84486404160776 5.57543 546 118.086136282161 5.6935368 547 119.08943078666724 5.6957307 549 158.03999253356488 5.6885877 558 118.08614084735753 5.695406 559 156.0419594783285 5.700437 561 133.10503503876865 5.7478676 563 119.08942925468972 5.6976 564 235.1649571996301 5.6980495 573 273.1208172600843 5.7226243 586 150.0580937823089 5.736668 587 257.14684101952525 5.737107 591 163.05338891159045 5.738424 603 107.0714836044441 5.7414956 604 136.05042953346918 5.741495 606 153.07702607515895 5.742373 609 201.00917974363804 5.743689 617 156.04195771190652 5.7104034 621 273.12082086293464 5.7262015 622 132.10170818206214 5.7288346 628 133.10504212972964 5.765699 640 217.15447541961305 5.817688 659 203.13879992661973 5.825148 660 215.13885933944832 5.825148 674 138.0547721930798 5.8345313 678 227.15804343513688 5.843843 679 226.1548276939271 5.84388 683 118.08618244730933 5.818649 685 197.040867463821 5.8871245 686 320.17136170937744 5.910408 687 115.08651467149711 5.9351325 688 137.06841851907743 5.936834 690 265.11149031603264 5.9485784 691 228.14534892007973 6.0084243 693 226.1548933204581 6.043236 695 228.1454157073448 6.1668887 698 118.08615791324712 6.2560725 699 132.10171546003687 6.300898 700 133.10509747646654 6.288588 701 153.07699495948592 6.2302094 708 298.02467259368444 6.2890944 710 162.0499397667938 6.361732 711 118.08612947184405 6.2692437 713 90.976550099308 6.411321 717 133.10506197129337 6.3418784 723 132.10170322970416 6.3238697 729 430.9133167798752 6.445311 730 498.9006283059093 6.4422398 733 566.887996552571 6.4444346 742 162.049928906656 6.3924384 743 566.8879974709893 6.465941 744 298.0246176631577 6.392486 746 90.9765516798645 6.4571624 752 362.925952839678 6.459356 753 430.91332032039486 6.4764752 754 498.9006293329196 6.464187 760 430.9133173583412 6.47867 763 362.9259521619515 6.46155 768 498.9006350513378 6.4663815 772 566.8880079908274 6.4703307 774 226.95130605314407 6.4734025 776 158.96391743043827 6.475264 777 90.97655184812557 6.4699974 783 430.913321997725 6.485361 797 498.9006368424921 6.481851 798 566.8880087807638 6.490188 801 116.07045588148864 6.535134 806 90.97654696859416 6.497805 807 133.1050813977587 6.57356 820 258.15586908713766 6.8444924 821 301.96555337204217 6.8449597 822 214.12973993847905 6.8736024 826 376.979765282261 6.890302 833 308.9923908286443 6.898309 835 173.09190815945408 6.8987 836 165.99085411729348 6.9019084 837 451.9939689509807 6.901796 842 122.02695576262852 6.907451 845 241.0309804045192 6.929818 848 118.08612324531742 6.906456 850 122.02695713603926 6.910003 853 208.1806931005108 6.967325 857 226.95139637449867 7.056883 858 258.156014085099 7.159303 859 104.07052981519426 7.1661315 860 226.9514186720039 7.1463103 861 245.9476010251665 7.220245 862 201.9837410781343 7.2195973 863 267.92949707305337 7.2172837 864 90.05496978874557 7.6612244 865 244.140503738826 7.6647267 866 230.14997669311865 7.6839995 867 134.01883779940704 7.6638207 868 328.0301594961641 7.9222236 869 306.048316086854 7.914533 870 285.1667082325685 7.933275 871 387.2709948049544 7.9394317 872 187.10747655608205 7.93947 877 197.0894356361632 7.961445 879 269.16060472372754 7.962421 880 346.05434588118914 7.9639306 881 271.1510202898235 7.9642925 890 129.06566925010313 7.9716926 891 120.06545039741656 7.972265 894 164.02922326766455 7.9790225 895 133.10507612878197 7.9839897 896 153.07696300828565 7.981729 899 129.06566954676447 7.973686 901 233.10652019611663 7.9997315 904 217.12933749214804 8.017409 909 205.11810687589983 8.066115 910 176.09158435507644 8.110695 911 120.06538793621888 8.095319 912 216.13414402314515 8.137809 913 254.110947332547 8.13853 918 142.09734305994664 8.155034 919 247.12867941295664 8.191632 920 203.11372007085788 8.203923 921 246.1446736791892 8.23056 922 261.1443564364716 8.234616 923 283.12626085214976 8.235302 924 269.16066025719937 8.241423 925 226.9513300667016 8.252555 926 118.0861033091863 8.375219 927 244.0942511712273 8.360445 928 201.1788423536045 8.363343 929 200.1756825779179 8.360786 930 226.9513188023629 8.36787 931 217.1181167414713 8.373118 932 265.12695885890884 8.393177 933 365.105201429741 8.39588 934 157.16978702908858 8.416748 935 205.11817679551444 8.449443 936 166.0531984049978 8.511632 937 210.01689084731828 8.517229 938 574.1288443930529 8.598261 939 188.03499184859004 8.604352 940 166.05302736240878 8.598813 941 147.07628217729822 8.606629 942 169.0581892689462 8.606629 944 175.10751430696803 8.61571 945 258.14458594133026 8.616849 949 106.0497993519311 8.619147 951 227.09996497608665 8.619727 953 365.1050858603464 8.622464 954 277.03801398466214 8.624969 957 230.1133787668119 8.627342 958 150.01357254868546 8.627431 964 268.12651808851587 8.64582 965 246.14460651871127 8.647682 966 118.0860713755489 8.666564 970 331.0597083994683 8.728163 971 177.02446857919654 8.73112 974 155.04258957375788 8.740393 975 230.1133464625389 8.74039 979 133.0606595880094 8.745018 980 286.15069933735964 8.763644 982 247.12860338588263 8.766978 988 361.1977693027184 8.791953 994 296.0656615542094 8.852614 995 280.0918526920189 8.8539295 998 537.1943231163153 8.85701 999 259.11326523868405 8.8587675 1003 258.1099364516471 8.860084 1009 153.07693685054173 8.865781 1016 322.1869685406384 8.8856325 1019 348.0696595688975 8.905177 1020 156.14936280240056 8.929667 1023 255.14499651185736 8.961529 1026 198.0847628014792 8.995751 1027 176.1027959719887 8.99959 1029 288.2028931457914 9.03741 1030 289.2065919245926 9.038054 1031 168.076587656824 9.039931 1033 229.12936404392448 9.058728 1034 251.11128458048435 9.060653 1036 294.18102755142905 9.065932 1039 258.1447309396798 9.109013 1040 365.1052316626935 9.099115 1043 258.14458259952363 9.161549 1045 216.0629531114795 9.191652 1048 238.04483266653563 9.194025 1051 269.1604872451791 9.198629 1053 260.19665861930304 9.201791 1054 261.20006499413546 9.202691 1067 149.06356867672196 9.225198 1069 130.04972503456412 9.2256365 1071 148.06031941955982 9.226085 1079 288.2028125859761 9.241891 1085 221.112942320711 9.250683 1096 366.10847337323975 9.300052 1099 365.1051586729516 9.302187 1100 118.08606206806408 9.277427 1102 360.149656817636 9.311521 1107 359.26492669564453 9.318966 1111 260.1967063364553 9.344571 1112 261.2001203040639 9.346213 1113 433.0925277310742 9.346755 1118 345.22421788168214 9.386636 1121 203.1501620783906 9.454228 1122 188.1755993548724 9.460129 1124 294.16712720772256 9.486702 1125 335.0339660433254 9.493368 1126 313.0520546222224 9.502534 1127 289.206630553843 9.5099125 1128 288.2029258528593 9.509217 1131 218.18619761371053 9.525903 1132 306.06162796412696 9.547405 1133 188.17558642399584 9.518045 1134 260.1967002040386 9.570424 1135 306.1592562972893 9.571097 1136 284.0796833657358 9.646189 1137 324.0588200527568 9.649519 1138 219.09737415252712 9.655475 1139 148.0602834766663 9.6562 1141 154.01670024274702 9.662093 1143 195.04322321426469 9.665049 1144 290.1344649431372 9.675607 1145 283.04150739594115 9.690609 1149 207.0973923543056 9.729797 1150 308.09087390128616 9.73265 1151 613.1510753489329 9.735156 1155 317.2180748441611 9.774086 1157 260.1966837829511 9.806193 1159 345.2493190320606 9.83373 1163 282.1180701017672 9.848723 1164 219.0973471625064 9.852621 1165 248.12386819185812 9.854269 1167 262.90666776551785 9.858233 1168 284.0795670488393 9.863204 1171 134.04468296663256 9.863805 1172 142.94789363209495 9.862807 1174 249.107884486856 9.871725 1175 274.18716937581314 9.873346 1181 338.1819343706756 9.884996 1185 175.14390259797082 9.938897 1187 156.07665515382126 9.965302 1188 178.05845818353518 9.965835 1189 110.07110800895867 9.96585 1192 157.07990648632463 9.970797 1195 246.1809879902873 9.996257 1201 299.0363071280015 10.030114 1205 310.17584025335856 10.059572 1206 190.1628070441479 10.089722 1207 189.15962556992508 10.091929 1208 275.1908113067463 10.101804 1209 274.18718518067203 10.102931 1211 364.0649234803579 10.105504 1216 227.11370840600603 10.148948 1219 195.0254494451458 10.179174 1220 323.0839267608916 10.180491 1224 237.05378657328663 10.185353 1229 259.12865594655494 10.204153 1234 235.09230901827425 10.252195 1239 472.2874612980231 10.308299 1242 175.11882033505466 10.356683 1243 349.23023603947246 10.357158 1244 371.2121607007718 10.357639 1246 176.12211343714353 10.358672 1249 197.1006803958095 10.360531 1251 130.09729229124068 10.370269 1252 246.18095223184145 10.376628 1254 364.0649180883176 10.324018 1256 272.1714484795354 10.424933 1258 257.1242348570159 10.465497 1259 285.2030842021909 10.469291 1260 156.0765780966775 10.469985 1261 442.74712460313145 10.470643 1263 347.228682719869 10.512813 1264 303.20249423925924 10.522915 1266 213.09809375538885 10.5390005 1267 589.1399646335841 10.551182 1271 156.07656270160743 10.643449 1272 175.11883104950437 10.63616 1276 148.11599366591082 10.651277 1278 191.07647587262292 10.651727 1279 130.0861855729082 10.652225 1280 84.08064494962149 10.652238 1281 147.1127199612054 10.652242 1283 169.09453102570544 10.654132 1289 244.16534762312872 10.664137 1290 257.1969723050618 10.6713915 1293 133.09706985780863 10.722098 1295 116.07050095631276 10.722583 1296 489.2762008111585 10.794624 1298 175.11881153058343 10.751388 1310 304.03932259922425 10.842536 1317 283.06144442783113 10.857608 1318 563.1074885117305 10.858048 1320 282.05750541230793 10.858509 1321 284.0531507149704 10.858556 1324 163.05334706421047 10.861239 1330 237.0359682970429 10.877342 1334 175.1187171353388 10.861039 1336 241.03078940211464 10.946838 1342 246.1559001157775 10.92701 1345 247.15931781669644 10.927976 1346 243.1085915333856 10.930374 1348 163.0534682624983 10.963395 1349 241.0308201955841 10.969333 1350 158.91554905353604 10.985007 1352 284.0795279906775 11.007104 1353 285.1191553590796 11.007634 1354 218.14977569757968 11.019916 1355 276.1666669024399 11.127444 1356 277.17032556111366 11.130445 1360 270.11951370352017 11.143098 1361 477.7683038765202 11.143561 1362 218.149918302188 11.197883 1364 175.11883005279304 11.212697 1365 248.16044847300984 11.214851 1366 241.03097143373472 11.219297 1367 232.14043462663736 11.221642 1369 282.057543479596 11.168553 1370 313.18703563912146 11.3278265 1371 248.1605684094749 11.336497 1374 277.1390483125494 11.51134 1376 278.1423901329732 11.513539 1377 282.057449726996 11.514416 1378 304.16126122413266 11.517955 1388 262.1506913923568 11.531592 1389 204.13402659101504 11.532012 1407 276.1550226035785 11.559689 1409 241.03094338850485 11.5610075 1415 243.02678201103345 11.562327 1426 303.1772234383022 11.568047 1437 251.166119732511 11.585159 1457 275.1710225348117 11.613685 1466 263.0128023889946 11.642216 1469 278.98660980913854 11.648937 1471 396.2363286809719 11.677346 1473 234.1446648417694 11.690246 1485 261.15555602427605 11.726382 1487 289.1616430518823 11.733912 1488 182.9849459620996 11.736179 1492 304.02686844036094 11.8071165 1499 151.03510544906462 11.850545 1503 278.9867347050311 11.727371 1509 304.0269243781329 11.844499 1510 151.03514920449794 11.8673315 1515 376.2189013075872 11.939273 1521 473.3444755147893 12.102442 1522 298.05247964856613 12.136988 1523 173.13408485930873 12.497563 1524 427.0952727376404 12.633031 1525 182.98494465025965 12.898163 1527 167.01271717741983 12.917134 1528 255.94395639690367 12.917243 1530 385.9017133531906 12.921013 1531 143.99665492800966 12.922867 1533 125.98620278672723 12.925508 1536 282.9047940378916 12.953278 1539 491.7875226546853 13.435786 1540 167.01272908201915 14.068723 1541 241.03094812769385 14.083734 1542 125.9861272213276 14.077281 1543 241.03092328785684 14.2579565 1544 125.98610652607104 14.2632475 1545 125.9860987016528 14.282119 1546 167.01266837053672 14.29509 1547 241.03092878208284 14.737781 1548 241.03095848676367 15.381517 1549 241.03092431621664 15.560758 1550 125.98607678073093 19.125986 1551 125.986068468798 19.237349 nf_output/networking/merged_pairs.tsv0000644000000000000000000010676414777454557017234 0ustar rootrootCLUSTERID1 CLUSTERID2 DeltaMZ MinRatio Cosine AlignScore2 AlignScore3 2 3 1.003 0.000 0.9345 0.8545 1 2 4 29.035 0.000 0.8096 0.4968 1 2 5 46.061 0.000 0.9164 0.7965 1 3 4 28.031 0.000 0.8896 0.6015 1 3 5 45.058 0.000 0.9447 0.8866 1 4 5 17.026 0.000 0.8945 0.6367 1 18 24 -2.035 0.000 0.7107 0.6657 1 18 25 -1.032 0.000 0.8780 0.7753 1 18 27 14.991 0.000 0.8004 0.8059 1 18 34 15.995 0.000 0.7902 0.6726 1 18 56 14.991 0.000 0.7747 0.7868 1 18 70 -1.032 0.000 0.7847 0.8447 1 18 73 15.995 0.000 0.7276 0.5247 1 24 25 1.003 0.000 0.8494 0.6774 1 24 27 17.027 0.000 0.8424 0.5907 1 24 34 18.030 0.000 0.8478 0.6750 1 24 56 17.027 0.000 0.8115 0.5893 1 24 67 0.000 0.000 0.9222 0.7999 1 24 70 1.004 0.000 0.8900 0.7022 1 24 73 18.030 0.000 0.8523 0.6976 1 25 27 16.023 0.000 0.8643 0.7392 1 25 34 17.027 0.000 0.8109 0.6055 1 25 56 16.023 0.000 0.8543 0.7628 1 25 67 -1.003 0.000 0.8760 0.7235 1 25 70 0.000 0.000 0.9170 0.8300 1 25 73 17.027 0.000 0.7960 0.5643 1 27 34 1.003 0.000 0.9492 0.7990 1 27 56 0.000 0.000 0.9886 0.9449 1 27 67 -17.027 0.000 0.8973 0.6664 1 27 70 -16.023 0.000 0.9118 0.8296 1 27 73 1.003 0.000 0.8901 0.6539 1 34 56 -1.003 0.000 0.9392 0.8349 1 34 67 -18.030 0.000 0.8930 0.7452 1 34 70 -17.026 0.000 0.9083 0.7299 1 34 73 0.000 0.000 0.9267 0.7516 1 38 62 0.000 0.000 0.9903 0.8702 1 56 67 -17.027 0.000 0.8697 0.6703 1 56 70 -16.023 0.000 0.8905 0.8123 1 56 73 1.003 0.000 0.8599 0.6622 1 67 70 1.003 0.000 0.9450 0.7891 1 67 73 18.030 0.000 0.8791 0.7615 1 70 73 17.027 0.000 0.8919 0.6740 1 77 79 -1.004 0.000 0.9714 0.9060 1 83 84 18.010 0.000 0.8787 0.7225 1 83 86 17.007 0.000 0.8619 0.7071 1 84 86 -1.003 0.000 0.9654 0.9547 1 98 103 1.003 0.000 0.9562 0.8925 1 103 107 -33.984 0.000 0.8888 0.6827 1 103 113 -33.984 0.000 0.8812 0.6827 1 103 114 14.016 0.000 0.9624 0.8128 1 103 130 14.016 0.000 0.9145 0.8128 1 103 278 -23.975 0.000 0.8001 0.6514 1 103 305 -23.975 0.000 0.7950 0.6514 1 107 113 -0.000 0.000 0.9995 1.0000 1 107 114 48.000 0.000 0.9054 0.8350 1 107 130 48.000 0.000 0.8792 0.8024 1 110 111 -1.003 0.000 0.9937 0.9691 1 113 114 48.000 0.000 0.8962 0.8350 1 113 130 48.000 0.000 0.8758 0.8024 1 114 130 0.000 0.000 0.9450 1.0000 1 121 127 -14.016 0.000 0.7126 0.6222 1 129 131 1.998 0.000 0.9824 0.9227 1 137 205 56.062 0.000 0.7524 0.6059 1 137 207 56.063 0.000 0.7246 0.5434 1 137 215 70.078 0.000 0.7539 0.5109 1 137 220 70.078 0.000 0.7665 0.5109 1 137 253 84.094 0.000 0.7607 0.5193 1 137 321 98.109 0.000 0.7429 0.5193 1 138 182 -0.010 0.000 1.0000 1.0000 1 156 187 0.000 0.000 0.9542 0.7368 1 166 238 28.989 0.000 0.9044 0.6470 1 166 240 29.993 0.000 0.9436 0.7987 1 171 173 1.004 0.000 0.9438 0.8957 1 181 205 33.984 0.000 0.8287 0.7611 1 181 207 33.984 0.000 0.8502 0.7611 1 181 215 48.000 0.000 0.8857 0.8218 1 181 220 48.000 0.000 0.8689 0.8218 1 181 253 62.016 0.000 0.7998 0.8218 1 181 321 76.031 0.000 0.7494 0.7708 1 181 1409 -16.957 0.000 0.8133 0.6348 1 205 207 0.000 0.000 0.9813 0.9352 1 205 215 14.016 0.000 0.9217 0.9192 1 205 220 14.016 0.000 0.8702 0.8269 1 205 253 28.031 0.000 0.8302 0.8269 1 205 315 27.036 0.000 0.7008 0.7370 1 205 321 42.047 0.000 0.7476 0.7107 1 205 348 27.036 0.000 0.7037 0.7154 1 205 476 44.063 0.000 0.7069 0.7534 1 205 591 27.036 0.000 0.7013 0.6690 1 207 215 14.016 0.000 0.9426 0.9192 1 207 220 14.016 0.000 0.8919 0.8853 1 207 253 28.031 0.000 0.8501 0.8853 1 207 315 27.036 0.000 0.7156 0.7370 1 207 321 42.047 0.000 0.7629 0.7464 1 207 348 27.036 0.000 0.7191 0.7154 1 207 591 27.036 0.000 0.7024 0.6479 1 207 1348 27.036 0.000 0.7088 0.6949 1 215 220 0.000 0.000 0.9877 0.9493 1 215 253 14.016 0.000 0.9747 0.9493 1 215 315 13.020 0.000 0.8536 0.8485 1 215 321 28.031 0.000 0.9345 0.9082 1 215 348 13.020 0.000 0.8520 0.8153 1 215 591 13.020 0.000 0.8364 0.7406 1 215 1324 13.021 0.000 0.8308 0.7659 1 215 1348 13.020 0.000 0.8399 0.7936 1 220 253 14.016 0.000 0.9937 1.0000 1 220 315 13.020 0.000 0.8432 0.7867 1 220 321 28.031 0.000 0.9381 0.8674 1 220 348 13.020 0.000 0.8396 0.7521 1 220 591 13.020 0.000 0.8266 0.6883 1 220 1324 13.021 0.000 0.8182 0.7076 1 220 1348 13.020 0.000 0.8316 0.7377 1 228 229 -1.003 0.000 0.9728 0.9396 1 238 240 1.004 0.000 0.9855 0.9242 1 253 315 -0.995 0.000 0.8543 0.7867 1 253 321 14.016 0.000 0.9575 0.8926 1 253 348 -0.995 0.000 0.8480 0.7521 1 253 591 -0.995 0.000 0.8363 0.6883 1 253 1324 -0.995 0.000 0.8258 0.7076 1 253 1348 -0.995 0.000 0.8429 0.7377 1 259 281 1.003 0.000 0.9678 0.8489 1 259 315 -16.023 0.000 0.7221 0.7829 1 259 391 1.003 0.000 0.9604 0.8227 1 278 305 0.000 0.000 0.9865 0.9369 1 278 1187 79.042 0.000 0.7230 0.5145 1 286 311 0.000 0.000 0.9837 0.9431 1 286 442 16.031 0.000 0.9308 0.8083 1 286 490 16.031 0.000 0.9325 0.8592 1 286 499 16.031 0.000 0.8357 0.7235 1 286 510 16.031 0.000 0.8428 0.8011 1 286 686 -49.979 0.000 0.9017 0.5914 1 286 691 42.047 0.000 0.9664 0.8882 1 286 695 42.047 0.000 0.9682 0.8046 1 286 822 56.062 0.000 0.9561 0.8519 1 286 865 26.052 0.000 0.8419 0.5630 1 305 1187 79.042 0.000 0.7278 0.5386 1 307 391 0.000 0.000 0.9946 0.9345 1 311 362 -33.984 0.000 0.9710 0.8262 1 311 442 16.031 0.000 0.9426 0.8479 1 311 490 16.031 0.000 0.9427 0.8967 1 311 499 16.031 0.000 0.8474 0.7606 1 311 510 16.031 0.000 0.8545 0.8416 1 311 686 -49.979 0.000 0.9216 0.6393 1 311 691 42.047 0.000 0.9661 0.8887 1 311 695 42.047 0.000 0.9690 0.8046 1 311 822 56.062 0.000 0.9567 0.8519 1 311 865 26.052 0.000 0.8431 0.5630 1 315 321 15.011 0.000 0.8916 0.7867 1 315 348 0.000 0.000 0.9900 0.9573 1 315 391 17.027 0.000 0.7060 0.7090 1 315 591 0.000 0.000 0.9811 0.8779 1 315 1324 0.000 0.000 0.9479 0.8615 1 315 1348 -0.000 0.000 0.9921 0.9475 1 321 348 -15.011 0.000 0.8874 0.7949 1 321 591 -15.011 0.000 0.8765 0.7094 1 321 1324 -15.011 0.000 0.8592 0.7076 1 321 1348 -15.011 0.000 0.8766 0.7377 1 348 591 0.000 0.000 0.9724 0.8779 1 348 1324 0.000 0.000 0.9410 0.8615 1 348 1348 -0.000 0.000 0.9828 0.9475 1 361 498 14.016 0.000 0.8205 0.5959 1 361 679 16.031 0.000 0.8914 0.6356 1 361 693 16.031 0.000 0.8579 0.7394 1 361 912 26.052 0.000 0.7334 0.4806 1 362 442 50.016 0.000 0.9410 0.7517 1 362 490 50.016 0.000 0.9416 0.7969 1 362 499 50.016 0.000 0.8499 0.6570 1 362 510 50.016 0.000 0.8567 0.7256 1 362 686 -15.995 0.000 0.9174 0.5707 1 362 865 60.036 0.000 0.8516 0.5301 1 371 392 0.000 0.000 0.9795 0.8745 1 372 390 1.003 0.000 0.9863 0.8807 1 372 414 0.000 0.000 0.9972 0.9600 1 378 380 17.027 0.000 0.9243 0.7898 1 378 384 17.027 0.000 0.9249 0.7898 1 378 415 17.027 0.000 0.9243 0.7898 1 380 384 0.000 0.000 0.9936 0.8854 1 380 415 0.000 0.000 0.9938 0.8854 1 384 415 0.000 0.000 0.9998 1.0000 1 432 439 -2.007 0.000 0.9572 0.8567 1 432 466 -2.007 0.000 0.9591 0.8592 1 439 440 1.003 0.000 0.9837 0.9051 1 439 465 1.003 0.000 0.9837 0.9042 1 439 466 0.000 0.000 0.9993 0.9845 1 439 505 1.003 0.000 0.9817 0.9045 1 439 506 2.007 0.000 0.9687 0.8751 1 440 466 -1.003 0.000 0.9849 0.9073 1 442 490 -0.000 0.000 0.9922 0.9233 1 442 499 0.000 0.000 0.9169 0.8753 1 442 510 0.000 0.000 0.9203 0.9233 1 442 686 -66.010 0.000 0.8843 0.6563 1 442 691 26.016 0.000 0.9544 0.8507 1 442 695 26.016 0.000 0.9489 0.8346 1 442 822 40.031 0.000 0.9472 0.8507 1 442 865 10.020 0.000 0.8535 0.5969 1 442 1124 -40.006 0.000 0.8044 0.6310 1 460 471 0.000 0.000 0.9907 0.9577 1 460 640 14.016 0.000 0.7932 0.6903 1 460 660 16.031 0.000 0.8493 0.8889 1 465 466 -1.003 0.000 0.9847 0.9036 1 466 505 1.003 0.000 0.9817 0.9058 1 466 506 2.007 0.000 0.9696 0.8774 1 471 640 14.016 0.000 0.7377 0.6290 1 471 660 16.031 0.000 0.7930 0.8523 1 471 1023 -23.975 0.000 0.7350 0.6281 1 476 979 12.966 0.000 0.8146 0.7041 1 476 1171 11.982 0.000 0.7152 0.6728 1 490 499 0.000 0.000 0.9151 0.8574 1 490 510 0.000 0.000 0.9214 0.9452 1 490 686 -66.010 0.000 0.8836 0.6665 1 490 691 26.016 0.000 0.9574 0.9033 1 490 695 26.016 0.000 0.9545 0.8589 1 490 822 40.031 0.000 0.9504 0.8679 1 490 865 10.020 0.000 0.8562 0.5969 1 498 679 2.016 0.000 0.8761 0.8009 1 498 693 2.015 0.000 0.7507 0.6404 1 498 912 12.036 0.000 0.7202 0.6939 1 499 510 0.000 0.000 0.9910 0.9080 1 499 686 -66.010 0.000 0.8099 0.6832 1 499 691 26.016 0.000 0.8634 0.7436 1 499 695 26.016 0.000 0.8619 0.8598 1 499 822 40.031 0.000 0.8398 0.7436 1 499 865 10.020 0.000 0.7613 0.5969 1 499 1124 -40.006 0.000 0.7809 0.6700 1 502 505 -1.003 0.000 0.9877 0.9344 1 502 506 0.000 0.000 0.9967 0.9320 1 502 1187 -23.975 0.000 0.9550 0.7103 1 506 1187 -23.975 0.000 0.9549 0.7103 1 510 686 -66.010 0.000 0.8053 0.6317 1 510 691 26.016 0.000 0.8700 0.8215 1 510 695 26.016 0.000 0.8631 0.8346 1 510 822 40.031 0.000 0.8456 0.8215 1 510 865 10.020 0.000 0.7665 0.5969 1 559 617 0.000 0.000 0.9240 0.7920 1 573 621 0.000 0.000 0.9958 0.8788 1 586 606 -3.019 0.000 0.9776 0.9226 1 586 701 -3.019 0.000 0.9767 0.8767 1 586 1069 20.008 0.000 0.7497 0.7995 1 591 1324 0.000 0.000 0.9340 0.8384 1 591 1348 -0.000 0.000 0.9905 0.9345 1 606 701 0.000 0.000 0.9888 0.8863 1 606 911 33.012 0.000 0.8554 0.6323 1 622 628 -1.003 0.000 0.9902 0.9583 1 622 1187 -23.975 0.000 0.9554 0.7052 1 678 679 1.003 0.000 0.9431 0.9075 1 678 693 1.003 0.000 0.7941 0.6072 1 679 693 -0.000 0.000 0.8841 0.7464 1 679 912 10.021 0.000 0.7593 0.7345 1 686 691 92.026 0.000 0.9094 0.6203 1 686 695 92.026 0.000 0.9231 0.7461 1 686 822 106.042 0.000 0.9107 0.6524 1 686 865 76.031 0.000 0.8540 0.7202 1 686 1124 26.004 0.000 0.7990 0.6009 1 691 695 -0.000 0.000 0.9831 0.8367 1 691 822 14.016 0.000 0.9888 0.9453 1 691 865 -15.995 0.000 0.8720 0.6220 1 695 822 14.016 0.000 0.9840 0.8653 1 695 865 -15.995 0.000 0.8815 0.7151 1 695 1124 -66.022 0.000 0.7757 0.6294 1 729 733 -135.975 0.000 0.7713 0.6258 1 729 743 -135.975 0.000 0.7773 0.6965 1 729 753 0.000 0.000 0.9979 0.9848 1 729 754 -67.987 0.000 0.9926 0.8901 1 729 768 -67.987 0.000 0.9874 0.8755 1 729 783 0.000 0.000 0.9930 0.8425 1 730 754 0.000 0.000 0.9921 0.9031 1 733 743 0.000 0.000 0.9919 0.8795 1 733 753 135.975 0.000 0.7650 0.6258 1 733 754 67.987 0.000 0.7420 0.6496 1 733 772 0.000 0.000 0.9880 0.8583 1 733 783 135.975 0.000 0.7608 0.6258 1 733 798 0.000 0.000 0.9890 0.8583 1 743 753 135.975 0.000 0.7724 0.6965 1 743 754 67.987 0.000 0.7301 0.6843 1 743 763 203.962 0.000 0.8453 0.7661 1 743 772 0.000 0.000 0.9923 0.9573 1 743 783 135.975 0.000 0.7673 0.6965 1 743 798 0.000 0.000 0.9940 0.9573 1 752 763 0.000 0.000 0.9737 0.7640 1 753 754 -67.987 0.000 0.9936 0.8901 1 753 768 -67.987 0.000 0.9887 0.8755 1 753 783 0.000 0.000 0.9926 0.8425 1 754 763 135.975 0.000 0.9117 0.7570 1 754 768 0.000 0.000 0.9857 0.8755 1 754 772 -67.987 0.000 0.7559 0.7137 1 754 798 -67.987 0.000 0.7460 0.7265 1 763 768 -135.975 0.000 0.9089 0.7554 1 763 783 -67.987 0.000 0.9244 0.7541 1 768 772 -67.987 0.000 0.7528 0.7097 1 768 783 67.987 0.000 0.9825 0.8425 1 768 798 -67.987 0.000 0.7444 0.7265 1 772 783 135.975 0.000 0.7987 0.7257 1 772 798 0.000 0.000 0.9982 0.9810 1 783 798 -135.975 0.000 0.7858 0.7382 1 820 858 -0.000 0.000 0.8715 0.6578 1 822 865 -30.011 0.000 0.8781 0.6482 1 826 837 -75.014 0.000 0.9555 0.8983 1 842 850 0.000 0.000 0.9998 1.0000 1 845 1126 -72.021 0.000 0.7196 0.5403 1 845 1409 0.000 0.000 0.9717 0.7518 1 845 1415 -1.996 0.000 0.7891 0.4986 1 845 1549 0.000 0.000 0.9956 1.0000 1 858 865 14.016 0.000 0.7648 0.6537 1 865 1124 -50.027 0.000 0.7808 0.6320 1 870 1259 -0.036 0.000 0.7475 0.5048 1 871 1118 42.047 0.000 0.7473 0.6463 1 879 924 -0.000 0.000 0.9752 0.8094 1 879 1023 14.016 0.000 0.9856 0.8697 1 879 1187 113.084 0.000 0.8734 0.5233 1 879 1192 112.081 0.000 0.9082 0.6355 1 879 1216 42.047 0.000 0.9840 0.8945 1 879 1258 12.036 0.000 0.9504 0.7752 1 879 1266 56.063 0.000 0.9468 0.7486 1 904 920 14.016 0.000 0.8150 0.6948 1 904 980 -69.021 0.000 0.7636 0.6236 1 904 1029 -71.074 0.000 0.7081 0.6130 1 904 1175 -57.058 0.000 0.7384 0.6761 1 904 1342 -29.027 0.000 0.7701 0.7113 1 904 1345 -30.030 0.000 0.8035 0.7727 1 904 1356 -60.041 0.000 0.7289 0.5851 1 904 1367 -15.011 0.000 0.8121 0.7507 1 904 1378 -87.032 0.000 0.7241 0.6236 1 904 1388 -45.021 0.000 0.7907 0.7007 1 904 1466 -45.883 0.000 0.7695 0.6654 1 920 980 -83.037 0.000 0.7183 0.5452 1 920 988 -158.084 0.000 0.7172 0.6452 1 920 1016 -119.073 0.000 0.7113 0.6314 1 920 1029 -85.089 0.000 0.7509 0.6028 1 920 1079 -85.089 0.000 0.7549 0.5831 1 920 1175 -71.074 0.000 0.7562 0.6105 1 920 1181 -135.068 0.000 0.7404 0.6322 1 920 1242 27.995 0.000 0.7098 0.5917 1 920 1256 -69.058 0.000 0.7055 0.6064 1 920 1272 27.995 0.000 0.7260 0.6644 1 920 1342 -43.042 0.000 0.7966 0.6614 1 920 1355 -73.053 0.000 0.7501 0.5786 1 920 1356 -74.057 0.000 0.7305 0.5501 1 920 1367 -29.027 0.000 0.8472 0.7250 1 920 1378 -101.048 0.000 0.7322 0.5373 1 920 1388 -59.037 0.000 0.7819 0.6416 1 920 1426 -100.063 0.000 0.7078 0.5145 1 920 1466 -59.899 0.000 0.7342 0.6019 1 922 982 14.016 0.000 0.9872 1.0000 1 922 1157 0.948 0.000 0.7454 0.7832 1 922 1174 12.037 0.000 0.7876 0.5939 1 924 1023 14.016 0.000 0.9771 0.8688 1 924 1216 42.047 0.000 0.9661 0.8671 1 924 1258 12.036 0.000 0.9503 0.8973 1 924 1266 56.063 0.000 0.9368 0.8203 1 928 929 1.003 0.000 0.9881 1.0000 1 944 1053 -85.089 0.000 0.7887 0.6668 1 944 1054 -86.093 0.000 0.7668 0.6473 1 944 1071 27.047 0.000 0.8018 0.7445 1 944 1111 -85.089 0.000 0.8019 0.6548 1 944 1112 -86.093 0.000 0.7702 0.6406 1 944 1195 -71.074 0.000 0.8018 0.7607 1 944 1362 -43.042 0.000 0.8039 0.7607 1 944 1371 -73.053 0.000 0.7369 0.5662 1 944 1389 -29.027 0.000 0.8681 0.7607 1 944 1407 -101.048 0.000 0.8118 0.6884 1 944 1457 -100.063 0.000 0.7919 0.6812 1 944 1473 -59.037 0.000 0.7990 0.6664 1 945 1290 0.948 0.000 0.8219 0.5956 1 957 975 0.000 0.000 0.9882 0.9501 1 979 1171 -0.984 0.000 0.9294 0.9131 1 980 988 -75.047 0.000 0.7098 0.6930 1 980 1016 -36.036 0.000 0.7608 0.7544 1 980 1029 -2.052 0.000 0.7314 0.7850 1 980 1079 -2.052 0.000 0.7338 0.7710 1 980 1128 -2.052 0.000 0.7138 0.7929 1 980 1175 11.964 0.000 0.7258 0.7860 1 980 1181 -52.031 0.000 0.7464 0.7544 1 980 1209 11.964 0.000 0.7483 0.8230 1 980 1342 39.995 0.000 0.7754 0.7023 1 980 1355 9.984 0.000 0.7411 0.7251 1 980 1367 54.010 0.000 0.8641 0.7383 1 980 1378 -18.011 0.000 0.7858 0.7901 1 980 1388 24.000 0.000 0.7665 0.7098 1 980 1426 -17.026 0.000 0.7570 0.7514 1 980 1487 -3.011 0.000 0.7175 0.6671 1 982 1174 -1.979 0.000 0.8306 0.5939 1 982 1252 0.948 0.000 0.7868 0.7755 1 988 1016 39.011 0.000 0.9167 0.8352 1 988 1029 72.995 0.000 0.9120 0.7661 1 988 1030 71.991 0.000 0.8435 0.6384 1 988 1079 72.995 0.000 0.9121 0.7515 1 988 1127 71.991 0.000 0.7288 0.6606 1 988 1128 72.995 0.000 0.7601 0.6970 1 988 1132 55.136 0.000 0.7325 0.6696 1 988 1135 55.039 0.000 0.7882 0.6696 1 988 1175 87.011 0.000 0.8960 0.7637 1 988 1181 23.016 0.000 0.9185 0.8325 1 988 1208 86.007 0.000 0.7139 0.6472 1 988 1209 87.011 0.000 0.7717 0.7385 1 988 1256 89.026 0.000 0.8498 0.6082 1 988 1342 115.042 0.000 0.8931 0.8413 1 988 1345 114.039 0.000 0.7701 0.6277 1 988 1355 85.031 0.000 0.8010 0.6278 1 988 1356 84.028 0.000 0.7585 0.5700 1 988 1367 129.057 0.000 0.7082 0.6776 1 988 1378 57.037 0.000 0.8676 0.6762 1 988 1388 99.047 0.000 0.8002 0.7231 1 988 1426 58.021 0.000 0.8703 0.6847 1 988 1437 -140.127 0.000 0.7520 0.5524 1 988 1466 98.185 0.000 0.7359 0.6549 1 988 1487 72.036 0.000 0.8639 0.6895 1 995 998 -257.102 0.000 0.7801 0.6148 1 999 1003 1.003 0.000 0.9817 0.8968 1 1016 1029 33.984 0.000 0.9696 0.8482 1 1016 1030 32.980 0.000 0.8414 0.6210 1 1016 1079 33.984 0.000 0.9583 0.8205 1 1016 1128 33.984 0.000 0.7707 0.7266 1 1016 1132 16.125 0.000 0.7902 0.7361 1 1016 1135 16.028 0.000 0.8439 0.7458 1 1016 1175 48.000 0.000 0.9667 0.8599 1 1016 1181 -15.995 0.000 0.9649 0.8861 1 1016 1209 48.000 0.000 0.7864 0.7560 1 1016 1256 50.016 0.000 0.8487 0.6184 1 1016 1342 76.031 0.000 0.9229 0.8543 1 1016 1345 75.028 0.000 0.7766 0.6285 1 1016 1355 46.020 0.000 0.8343 0.6703 1 1016 1356 45.017 0.000 0.7785 0.5921 1 1016 1367 90.047 0.000 0.7710 0.7482 1 1016 1378 18.026 0.000 0.9395 0.7679 1 1016 1388 60.036 0.000 0.8173 0.7430 1 1016 1426 19.010 0.000 0.8294 0.6264 1 1016 1487 33.025 0.000 0.8643 0.6845 1 1023 1216 28.031 0.000 0.9806 0.9351 1 1023 1258 -1.979 0.000 0.9519 0.8688 1 1023 1266 42.047 0.000 0.9483 0.8311 1 1029 1030 -1.004 0.000 0.9795 0.9645 1 1029 1079 0.000 0.000 0.9779 0.9327 1 1029 1127 -1.004 0.000 0.7384 0.7368 1 1029 1128 0.000 0.000 0.7560 0.7795 1 1029 1132 -17.859 0.000 0.7566 0.6260 1 1029 1135 -17.956 0.000 0.8156 0.6260 1 1029 1175 14.016 0.000 0.9840 0.9455 1 1029 1181 -49.979 0.000 0.9640 0.8883 1 1029 1209 14.016 0.000 0.7771 0.8252 1 1029 1256 16.032 0.000 0.8340 0.5294 1 1029 1342 42.047 0.000 0.9111 0.7921 1 1029 1345 41.044 0.000 0.8172 0.6639 1 1029 1355 12.036 0.000 0.8208 0.7136 1 1029 1356 11.033 0.000 0.7835 0.6522 1 1029 1367 56.063 0.000 0.7660 0.6930 1 1029 1378 -15.958 0.000 0.9349 0.8150 1 1029 1388 26.052 0.000 0.8167 0.8137 1 1029 1426 -14.974 0.000 0.8525 0.7282 1 1029 1437 -213.122 0.000 0.7501 0.5826 1 1029 1466 25.190 0.000 0.7156 0.6535 1 1029 1487 -0.959 0.000 0.8741 0.7948 1 1030 1079 1.004 0.000 0.9477 0.8962 1 1030 1127 0.000 0.000 0.7418 0.7130 1 1030 1128 1.004 0.000 0.7766 0.7804 1 1030 1132 -16.855 0.000 0.7007 0.5311 1 1030 1135 -16.953 0.000 0.7543 0.5311 1 1030 1175 15.019 0.000 0.8683 0.7411 1 1030 1181 -48.975 0.000 0.8689 0.7288 1 1030 1208 14.016 0.000 0.7772 0.7805 1 1030 1209 15.019 0.000 0.7169 0.7276 1 1030 1256 17.035 0.000 0.8269 0.5110 1 1030 1342 43.051 0.000 0.8946 0.7759 1 1030 1345 42.047 0.000 0.9049 0.7771 1 1030 1355 13.040 0.000 0.7997 0.7002 1 1030 1356 12.036 0.000 0.8458 0.7514 1 1030 1367 57.066 0.000 0.7382 0.6382 1 1030 1378 -14.955 0.000 0.8768 0.7567 1 1030 1388 27.056 0.000 0.7703 0.6792 1 1030 1426 -13.971 0.000 0.7914 0.6455 1 1030 1437 -212.118 0.000 0.7298 0.5753 1 1030 1466 26.194 0.000 0.7839 0.7541 1 1030 1487 0.045 0.000 0.7831 0.6513 1 1033 1051 -40.031 0.000 0.7057 0.6264 1 1033 1121 25.979 0.000 0.7952 0.6996 1 1033 1242 54.011 0.000 0.9144 0.8127 1 1033 1272 54.011 0.000 0.9092 0.7740 1 1033 1298 54.011 0.000 0.9388 0.8228 1 1036 1053 33.984 0.000 0.9738 0.7794 1 1036 1054 32.981 0.000 0.9386 0.7028 1 1036 1111 33.984 0.000 0.9677 0.7426 1 1036 1112 32.981 0.000 0.9328 0.6865 1 1036 1134 33.984 0.000 0.7797 0.8547 1 1036 1195 48.000 0.000 0.9847 0.9225 1 1036 1205 -15.995 0.000 0.9905 0.9149 1 1036 1289 50.016 0.000 0.7399 0.8547 1 1036 1354 76.031 0.000 0.9747 0.8494 1 1036 1362 76.031 0.000 0.8121 0.8394 1 1036 1371 46.020 0.000 0.8047 0.6896 1 1036 1389 90.047 0.000 0.9194 0.8403 1 1036 1407 18.026 0.000 0.9622 0.7756 1 1036 1457 19.010 0.000 0.9604 0.8221 1 1036 1473 60.036 0.000 0.8566 0.7721 1 1036 1485 33.025 0.000 0.7225 0.5322 1 1036 1521 -179.164 0.000 0.7167 0.5406 1 1039 1043 0.000 0.000 0.9853 0.9386 1 1053 1054 -1.003 0.000 0.9662 0.8487 1 1053 1067 111.133 0.000 0.7198 0.4497 1 1053 1071 112.136 0.000 0.7153 0.4479 1 1053 1111 0.000 0.000 0.9808 0.8744 1 1053 1112 -1.003 0.000 0.9668 0.8594 1 1053 1134 0.000 0.000 0.7685 0.6988 1 1053 1195 14.016 0.000 0.9867 0.8400 1 1053 1205 -49.979 0.000 0.9754 0.7507 1 1053 1276 112.081 0.000 0.8299 0.4479 1 1053 1289 16.031 0.000 0.7285 0.7251 1 1053 1354 42.047 0.000 0.9642 0.7091 1 1053 1362 42.047 0.000 0.8329 0.7972 1 1053 1365 12.036 0.000 0.9697 0.7772 1 1053 1371 12.036 0.000 0.8216 0.8095 1 1053 1389 56.063 0.000 0.9317 0.7984 1 1053 1407 -15.958 0.000 0.9660 0.8539 1 1053 1457 -14.974 0.000 0.9519 0.7917 1 1053 1473 26.052 0.000 0.8677 0.8261 1 1053 1485 -0.959 0.000 0.7263 0.5939 1 1054 1067 112.137 0.000 0.7035 0.4862 1 1054 1111 1.003 0.000 0.9742 0.8937 1 1054 1112 0.000 0.000 0.9956 0.9791 1 1054 1134 1.003 0.000 0.7567 0.6894 1 1054 1155 -56.018 0.000 0.7153 0.6201 1 1054 1195 15.019 0.000 0.9482 0.7166 1 1054 1205 -48.976 0.000 0.9469 0.7028 1 1054 1276 113.084 0.000 0.8425 0.4462 1 1054 1354 43.050 0.000 0.9568 0.7028 1 1054 1362 43.050 0.000 0.8177 0.7837 1 1054 1365 13.040 0.000 0.9538 0.7532 1 1054 1371 13.040 0.000 0.7844 0.7861 1 1054 1374 -15.939 0.000 0.7095 0.5440 1 1054 1389 57.066 0.000 0.9150 0.7837 1 1054 1407 -14.955 0.000 0.9614 0.8956 1 1054 1457 -13.971 0.000 0.9238 0.7318 1 1054 1473 27.055 0.000 0.8387 0.8534 1 1067 1069 19.014 0.000 0.8752 0.9076 1 1067 1071 1.003 0.000 0.9914 0.9570 1 1067 1111 -111.133 0.000 0.7213 0.4712 1 1067 1112 -112.137 0.000 0.7252 0.5023 1 1067 1276 0.948 0.000 0.8631 0.8903 1 1067 1279 18.977 0.000 0.8165 0.6447 1 1067 1281 1.951 0.000 0.8264 0.7207 1 1069 1071 -18.011 0.000 0.8687 0.9356 1 1069 1276 -18.066 0.000 0.9879 0.9386 1 1069 1279 -0.036 0.000 0.9895 0.9090 1 1071 1276 -0.056 0.000 0.8413 0.8782 1 1071 1279 17.974 0.000 0.8072 0.6454 1 1071 1281 0.948 0.000 0.8453 0.8549 1 1079 1127 -1.004 0.000 0.8083 0.7796 1 1079 1128 -0.000 0.000 0.8122 0.7800 1 1079 1132 -17.859 0.000 0.7432 0.5984 1 1079 1135 -17.957 0.000 0.8001 0.5984 1 1079 1175 14.016 0.000 0.9815 0.9418 1 1079 1181 -49.979 0.000 0.9601 0.8649 1 1079 1208 13.012 0.000 0.7047 0.6748 1 1079 1209 14.016 0.000 0.8238 0.7960 1 1079 1256 16.031 0.000 0.8415 0.5085 1 1079 1342 42.047 0.000 0.8944 0.7582 1 1079 1345 41.043 0.000 0.8000 0.6291 1 1079 1355 12.036 0.000 0.8458 0.7504 1 1079 1356 11.033 0.000 0.7821 0.6763 1 1079 1367 56.062 0.000 0.7592 0.6617 1 1079 1378 -15.958 0.000 0.9189 0.8161 1 1079 1388 26.052 0.000 0.8407 0.8111 1 1079 1426 -14.974 0.000 0.8395 0.7599 1 1079 1437 -213.122 0.000 0.7681 0.6684 1 1079 1466 25.190 0.000 0.7096 0.6189 1 1079 1487 -0.959 0.000 0.8542 0.7755 1 1085 1165 -27.011 0.000 0.7798 0.5930 1 1085 1258 -36.011 0.000 0.8988 0.8266 1 1085 1371 -27.048 0.000 0.7241 0.6725 1 1102 1107 0.885 0.000 0.9717 0.9362 1 1107 1134 99.068 0.000 0.7288 0.4546 1 1107 1155 42.047 0.000 0.8001 0.5945 1 1107 1157 99.068 0.000 0.7474 0.4848 1 1107 1159 14.016 0.000 0.8648 0.6963 1 1107 1252 113.084 0.000 0.7078 0.4657 1 1107 1263 12.036 0.000 0.8260 0.7555 1 1111 1112 -1.003 0.000 0.9804 0.9153 1 1111 1134 0.000 0.000 0.7930 0.6929 1 1111 1157 0.000 0.000 0.7065 0.6929 1 1111 1195 14.016 0.000 0.9844 0.8146 1 1111 1205 -49.979 0.000 0.9692 0.7141 1 1111 1252 14.016 0.000 0.7179 0.6929 1 1111 1289 16.031 0.000 0.7442 0.6861 1 1111 1354 42.047 0.000 0.9523 0.6666 1 1111 1362 42.047 0.000 0.8349 0.7289 1 1111 1365 12.036 0.000 0.9607 0.7341 1 1111 1371 12.036 0.000 0.8309 0.8001 1 1111 1389 56.063 0.000 0.9303 0.7574 1 1111 1407 -15.958 0.000 0.9646 0.8591 1 1111 1457 -14.974 0.000 0.9370 0.7287 1 1111 1473 26.052 0.000 0.8846 0.8311 1 1111 1485 -0.959 0.000 0.7391 0.6116 1 1112 1134 1.003 0.000 0.7734 0.6840 1 1112 1155 -56.018 0.000 0.7282 0.6199 1 1112 1195 15.019 0.000 0.9443 0.7048 1 1112 1205 -48.976 0.000 0.9411 0.6865 1 1112 1276 113.084 0.000 0.8260 0.4303 1 1112 1354 43.050 0.000 0.9486 0.6865 1 1112 1362 43.050 0.000 0.8258 0.7680 1 1112 1365 13.040 0.000 0.9471 0.7348 1 1112 1371 13.040 0.000 0.7898 0.7861 1 1112 1374 -15.939 0.000 0.7148 0.5591 1 1112 1389 57.066 0.000 0.9157 0.7680 1 1112 1407 -14.955 0.000 0.9562 0.8879 1 1112 1457 -13.971 0.000 0.9199 0.7138 1 1112 1473 27.055 0.000 0.8433 0.8368 1 1112 1485 0.044 0.000 0.7011 0.5734 1 1118 1437 -156.101 0.000 0.7416 0.5608 1 1121 1242 28.031 0.000 0.8797 0.7679 1 1121 1272 28.031 0.000 0.8731 0.7460 1 1121 1298 28.031 0.000 0.8484 0.5978 1 1126 1145 30.011 0.000 0.9104 0.7963 1 1126 1201 14.016 0.000 0.8950 0.7302 1 1126 1320 30.995 0.000 0.7851 0.6118 1 1126 1369 30.995 0.000 0.7586 0.5071 1 1126 1377 30.995 0.000 0.7698 0.6077 1 1126 1409 72.021 0.000 0.7598 0.7312 1 1126 1415 70.025 0.000 0.7135 0.7888 1 1126 1549 72.021 0.000 0.7474 0.5403 1 1127 1128 1.004 0.000 0.9790 0.9420 1 1127 1181 -48.975 0.000 0.7071 0.6815 1 1127 1208 14.016 0.000 0.9787 0.9274 1 1127 1209 15.019 0.000 0.7258 0.6644 1 1127 1243 -60.024 0.000 0.7188 0.4114 1 1127 1256 17.035 0.000 0.7079 0.4477 1 1127 1345 42.047 0.000 0.7230 0.6600 1 1127 1356 12.036 0.000 0.8052 0.7155 1 1127 1388 27.056 0.000 0.7193 0.6629 1 1127 1466 26.194 0.000 0.8424 0.8016 1 1128 1134 28.006 0.000 0.7206 0.4379 1 1128 1157 28.006 0.000 0.7678 0.4908 1 1128 1175 14.016 0.000 0.7427 0.7616 1 1128 1181 -49.979 0.000 0.8113 0.7941 1 1128 1208 13.012 0.000 0.7739 0.7910 1 1128 1209 14.016 0.000 0.9834 0.9406 1 1128 1243 -61.027 0.000 0.7089 0.3757 1 1128 1256 16.032 0.000 0.8988 0.5790 1 1128 1342 42.047 0.000 0.7241 0.6683 1 1128 1345 41.044 0.000 0.7062 0.6601 1 1128 1355 12.036 0.000 0.8233 0.7796 1 1128 1367 56.063 0.000 0.7199 0.6806 1 1128 1378 -15.958 0.000 0.7266 0.7093 1 1128 1388 26.052 0.000 0.8807 0.8575 1 1132 1135 -0.098 0.000 0.9902 1.0000 1 1132 1175 31.874 0.000 0.7546 0.6311 1 1132 1181 -32.120 0.000 0.7469 0.6573 1 1132 1342 59.906 0.000 0.7498 0.6115 1 1132 1345 58.902 0.000 0.7103 0.5902 1 1132 1355 29.895 0.000 0.7036 0.5614 1 1132 1378 1.900 0.000 0.7161 0.5398 1 1132 1426 2.884 0.000 0.7074 0.4922 1 1134 1157 0.000 0.000 0.9793 0.8997 1 1134 1159 -85.053 0.000 0.7455 0.5220 1 1134 1165 12.073 0.000 0.7623 0.6441 1 1134 1195 14.016 0.000 0.7706 0.8250 1 1134 1205 -49.979 0.000 0.7949 0.9371 1 1134 1252 14.016 0.000 0.9801 0.8950 1 1134 1263 -87.032 0.000 0.8771 0.6765 1 1134 1289 16.031 0.000 0.9417 0.9483 1 1134 1371 12.036 0.000 0.9391 0.6966 1 1134 1407 -15.958 0.000 0.7280 0.7152 1 1134 1473 26.052 0.000 0.9358 0.7665 1 1134 1485 -0.959 0.000 0.7610 0.4883 1 1134 1521 -213.148 0.000 0.7055 0.4916 1 1135 1175 31.972 0.000 0.8134 0.6311 1 1135 1181 -32.023 0.000 0.8051 0.6573 1 1135 1342 60.003 0.000 0.7831 0.6115 1 1135 1345 59.000 0.000 0.7421 0.5902 1 1135 1355 29.993 0.000 0.7478 0.5614 1 1135 1378 1.998 0.000 0.7717 0.5398 1 1135 1388 44.009 0.000 0.7181 0.5834 1 1135 1426 2.982 0.000 0.7432 0.4922 1 1135 1487 16.998 0.000 0.7091 0.4794 1 1136 1168 0.000 0.000 0.9395 0.7432 1 1138 1234 -15.995 0.000 0.7843 0.7057 1 1144 1150 -17.956 0.000 0.8092 0.6862 1 1145 1201 -15.995 0.000 0.8751 0.7124 1 1145 1320 0.984 0.000 0.7705 0.7080 1 1145 1369 0.984 0.000 0.7348 0.4857 1 1145 1377 0.984 0.000 0.7564 0.5986 1 1145 1409 42.011 0.000 0.7245 0.6250 1 1145 1415 40.015 0.000 0.7212 0.7788 1 1145 1549 42.011 0.000 0.7213 0.4851 1 1155 1264 14.016 0.000 0.7717 0.6967 1 1155 1473 83.073 0.000 0.8801 0.6947 1 1157 1159 -85.053 0.000 0.7621 0.5527 1 1157 1165 12.073 0.000 0.7894 0.6941 1 1157 1205 -49.979 0.000 0.7026 0.8586 1 1157 1252 14.016 0.000 0.9986 1.0000 1 1157 1263 -87.032 0.000 0.8965 0.7210 1 1157 1289 16.031 0.000 0.9281 0.8586 1 1157 1362 42.047 0.000 0.8315 0.7101 1 1157 1371 12.036 0.000 0.9034 0.6966 1 1157 1389 56.063 0.000 0.7354 0.7101 1 1157 1457 -14.974 0.000 0.7472 0.7263 1 1157 1473 26.052 0.000 0.8872 0.7665 1 1157 1485 -0.959 0.000 0.7326 0.5386 1 1159 1252 99.068 0.000 0.7807 0.5698 1 1159 1263 -1.979 0.000 0.8537 0.8174 1 1159 1264 42.047 0.000 0.7592 0.6795 1 1165 1174 -0.984 0.000 0.8657 0.8246 1 1165 1252 1.943 0.000 0.7622 0.6441 1 1165 1263 -99.105 0.000 0.7895 0.6784 1 1165 1289 3.959 0.000 0.7719 0.5670 1 1165 1371 -0.037 0.000 0.7241 0.6717 1 1174 1234 14.016 0.000 0.9434 0.7609 1 1174 1371 0.947 0.000 0.7342 0.6411 1 1175 1181 -63.995 0.000 0.9496 0.8734 1 1175 1208 -1.004 0.000 0.7322 0.7433 1 1175 1209 0.000 0.000 0.7524 0.7567 1 1175 1256 2.016 0.000 0.8261 0.5276 1 1175 1272 99.068 0.000 0.7146 0.5099 1 1175 1342 28.031 0.000 0.9522 0.8826 1 1175 1345 27.028 0.000 0.7783 0.6077 1 1175 1355 -1.979 0.000 0.8749 0.8138 1 1175 1356 -2.983 0.000 0.8343 0.7333 1 1175 1367 42.047 0.000 0.7847 0.7367 1 1175 1378 -29.974 0.000 0.9269 0.7922 1 1175 1388 12.036 0.000 0.7922 0.7722 1 1175 1426 -28.990 0.000 0.8426 0.7282 1 1175 1437 -227.138 0.000 0.7127 0.5153 1 1175 1466 11.174 0.000 0.7395 0.6981 1 1175 1487 -14.974 0.000 0.8510 0.7323 1 1181 1209 63.995 0.000 0.8160 0.8143 1 1181 1256 66.010 0.000 0.8412 0.5717 1 1181 1342 92.026 0.000 0.9035 0.8241 1 1181 1345 91.023 0.000 0.7784 0.6209 1 1181 1355 62.015 0.000 0.8362 0.6937 1 1181 1356 61.012 0.000 0.7774 0.6324 1 1181 1367 106.041 0.000 0.7559 0.6816 1 1181 1378 34.021 0.000 0.9159 0.7697 1 1181 1388 76.031 0.000 0.8326 0.7951 1 1181 1426 35.005 0.000 0.8375 0.6959 1 1181 1466 75.169 0.000 0.7157 0.6619 1 1181 1487 49.020 0.000 0.8182 0.6375 1 1187 1192 -1.003 0.000 0.9855 0.9075 1 1192 1216 -70.034 0.000 0.9282 0.8090 1 1192 1266 -56.018 0.000 0.9546 0.8329 1 1195 1205 -63.995 0.000 0.9862 0.8878 1 1195 1264 -57.022 0.000 0.7501 0.6467 1 1195 1289 2.016 0.000 0.7184 0.8250 1 1195 1354 28.031 0.000 0.9779 0.8434 1 1195 1362 28.031 0.000 0.8317 0.8824 1 1195 1365 -1.979 0.000 0.9713 0.8765 1 1195 1371 -1.980 0.000 0.8116 0.7416 1 1195 1389 42.047 0.000 0.9350 0.8991 1 1195 1407 -29.974 0.000 0.9618 0.7779 1 1195 1457 -28.990 0.000 0.9518 0.7915 1 1195 1473 12.036 0.000 0.8612 0.8119 1 1195 1485 -14.975 0.000 0.7208 0.5620 1 1195 1521 -227.164 0.000 0.7305 0.5927 1 1201 1320 16.979 0.000 0.8161 0.6996 1 1201 1369 16.979 0.000 0.8222 0.6170 1 1201 1377 16.979 0.000 0.8103 0.6543 1 1201 1409 58.005 0.000 0.7122 0.6631 1 1201 1549 58.005 0.000 0.7114 0.5859 1 1205 1252 63.995 0.000 0.7151 0.8575 1 1205 1289 66.011 0.000 0.7533 0.9371 1 1205 1354 92.026 0.000 0.9839 0.9274 1 1205 1362 92.026 0.000 0.8254 0.8394 1 1205 1365 62.015 0.000 0.9681 0.8541 1 1205 1371 62.015 0.000 0.8179 0.6896 1 1205 1389 106.042 0.000 0.9241 0.8143 1 1205 1407 34.021 0.000 0.9522 0.7034 1 1205 1457 35.005 0.000 0.9470 0.7374 1 1205 1473 76.031 0.000 0.8696 0.7721 1 1205 1485 49.020 0.000 0.7215 0.5060 1 1205 1521 -163.169 0.000 0.7079 0.4916 1 1206 1207 1.003 0.000 0.9880 0.9325 1 1206 1246 14.041 0.000 0.9401 0.8371 1 1206 1374 -86.976 0.000 0.8083 0.6360 1 1207 1242 14.041 0.000 0.9365 0.8333 1 1207 1272 14.041 0.000 0.9177 0.7796 1 1207 1407 -86.995 0.000 0.7283 0.5576 1 1207 1473 -44.985 0.000 0.7131 0.5795 1 1208 1209 1.004 0.000 0.9784 0.9437 1 1208 1256 3.019 0.000 0.7010 0.4294 1 1208 1345 28.031 0.000 0.7829 0.7807 1 1208 1356 -1.979 0.000 0.8335 0.7558 1 1208 1388 13.040 0.000 0.8261 0.8235 1 1208 1466 12.178 0.000 0.8602 0.7994 1 1209 1252 28.006 0.000 0.7447 0.4640 1 1209 1256 2.016 0.000 0.8963 0.5935 1 1209 1342 28.031 0.000 0.7653 0.7326 1 1209 1345 27.028 0.000 0.7473 0.7569 1 1209 1355 -1.979 0.000 0.8335 0.7645 1 1209 1356 -2.983 0.000 0.7108 0.6689 1 1209 1367 42.047 0.000 0.7921 0.7824 1 1209 1378 -29.974 0.000 0.7503 0.7318 1 1209 1388 12.036 0.000 0.8896 0.8169 1 1209 1466 11.174 0.000 0.8072 0.7761 1 1209 1487 -14.974 0.000 0.7319 0.7528 1 1216 1258 -30.011 0.000 0.9706 0.8671 1 1216 1266 14.016 0.000 0.9800 0.8570 1 1229 1374 -18.010 0.000 0.7850 0.5900 1 1242 1246 -1.003 0.000 0.9831 0.9322 1 1242 1272 0.000 0.000 0.9896 0.9643 1 1242 1298 0.000 0.000 0.9798 0.8127 1 1246 1272 1.003 0.000 0.9899 0.9657 1 1246 1298 1.003 0.000 0.9668 0.7778 1 1252 1263 -101.048 0.000 0.8859 0.7210 1 1252 1264 -57.022 0.000 0.8251 0.6634 1 1252 1289 2.016 0.000 0.9181 0.8575 1 1252 1362 28.031 0.000 0.8539 0.7315 1 1252 1371 -1.980 0.000 0.9093 0.6966 1 1252 1457 -28.990 0.000 0.7547 0.7263 1 1252 1473 12.036 0.000 0.8977 0.7665 1 1252 1485 -14.975 0.000 0.7426 0.5386 1 1252 1521 -227.164 0.000 0.7010 0.5141 1 1256 1342 26.015 0.000 0.8414 0.5929 1 1256 1345 25.012 0.000 0.8053 0.5635 1 1256 1355 -3.995 0.000 0.8238 0.5219 1 1256 1356 -4.999 0.000 0.8027 0.5015 1 1256 1367 40.031 0.000 0.7588 0.6124 1 1256 1378 -31.990 0.000 0.8153 0.4955 1 1256 1388 10.021 0.000 0.8264 0.5772 1 1256 1426 -31.006 0.000 0.7828 0.4683 1 1256 1466 9.159 0.000 0.7282 0.4933 1 1256 1487 -16.990 0.000 0.7902 0.4877 1 1258 1266 44.026 0.000 0.9611 0.8289 1 1263 1289 103.063 0.000 0.8799 0.6440 1 1263 1371 99.068 0.000 0.8063 0.7031 1 1263 1473 113.084 0.000 0.7699 0.6765 1 1264 1362 85.053 0.000 0.7425 0.5638 1 1264 1389 99.069 0.000 0.7449 0.5706 1 1264 1457 28.032 0.000 0.7044 0.5956 1 1264 1473 69.058 0.000 0.7215 0.6589 1 1272 1298 0.000 0.000 0.9632 0.7740 1 1272 1342 -71.037 0.000 0.7130 0.5394 1 1276 1281 1.003 0.000 0.9875 0.8904 1 1289 1362 26.015 0.000 0.7377 0.7291 1 1289 1371 -3.995 0.000 0.8857 0.7058 1 1289 1389 40.031 0.000 0.7053 0.7291 1 1289 1457 -31.006 0.000 0.7894 0.7415 1 1289 1473 10.021 0.000 0.8686 0.7867 1 1289 1485 -16.990 0.000 0.7261 0.5720 1 1317 1320 1.004 0.000 0.9677 0.9304 1 1317 1321 -0.992 0.000 0.8136 0.7408 1 1317 1369 1.004 0.000 0.9543 0.7392 1 1317 1377 1.004 0.000 0.9595 0.8279 1 1320 1321 -1.996 0.000 0.8110 0.8082 1 1320 1369 0.000 0.000 0.9692 0.7516 1 1320 1377 0.000 0.000 0.9888 0.8920 1 1321 1352 -0.026 0.000 0.7826 0.6651 1 1321 1369 1.996 0.000 0.8024 0.6612 1 1321 1377 1.996 0.000 0.8078 0.7390 1 1324 1348 -0.000 0.000 0.9405 0.8615 1 1342 1345 -1.003 0.000 0.9398 0.8577 1 1342 1355 -30.011 0.000 0.8320 0.6885 1 1342 1356 -31.014 0.000 0.7702 0.6186 1 1342 1367 14.016 0.000 0.8769 0.8102 1 1342 1378 -58.005 0.000 0.9209 0.7603 1 1342 1388 -15.995 0.000 0.8436 0.7597 1 1342 1426 -57.021 0.000 0.8710 0.7510 1 1342 1437 -255.169 0.000 0.7082 0.5058 1 1342 1466 -16.857 0.000 0.7316 0.6571 1 1342 1487 -43.006 0.000 0.8989 0.7907 1 1345 1355 -29.007 0.000 0.7635 0.5826 1 1345 1356 -30.011 0.000 0.8240 0.6416 1 1345 1367 15.019 0.000 0.7540 0.7020 1 1345 1378 -57.002 0.000 0.7982 0.6022 1 1345 1388 -14.991 0.000 0.7666 0.6450 1 1345 1426 -56.018 0.000 0.7209 0.5180 1 1345 1466 -15.853 0.000 0.8047 0.6902 1 1345 1487 -42.002 0.000 0.7577 0.6054 1 1352 1353 -1.040 0.000 0.8045 0.8718 1 1354 1362 -0.000 0.000 0.8016 0.8394 1 1354 1365 -30.011 0.000 0.9748 0.8541 1 1354 1371 -30.011 0.000 0.7480 0.5922 1 1354 1389 14.016 0.000 0.9213 0.8143 1 1354 1407 -58.005 0.000 0.9635 0.7034 1 1354 1457 -57.021 0.000 0.9442 0.7374 1 1354 1473 -15.995 0.000 0.8138 0.6889 1 1355 1356 -1.004 0.000 0.9604 0.9162 1 1355 1367 44.026 0.000 0.8089 0.6677 1 1355 1378 -27.995 0.000 0.8009 0.6444 1 1355 1388 14.016 0.000 0.8802 0.7956 1 1355 1426 -27.010 0.000 0.7581 0.6365 1 1355 1437 -225.158 0.000 0.7029 0.5811 1 1355 1466 13.154 0.000 0.7645 0.6865 1 1355 1487 -12.995 0.000 0.7808 0.6596 1 1356 1367 45.030 0.000 0.7604 0.6126 1 1356 1378 -26.991 0.000 0.7713 0.6232 1 1356 1388 15.020 0.000 0.7830 0.6961 1 1356 1426 -26.007 0.000 0.7792 0.6546 1 1356 1466 14.158 0.000 0.8731 0.8190 1 1356 1487 -11.991 0.000 0.7199 0.5771 1 1362 1365 -30.010 0.000 0.8165 0.8824 1 1362 1371 -30.011 0.000 0.9071 0.7183 1 1362 1389 14.016 0.000 0.9410 0.9448 1 1362 1407 -58.005 0.000 0.8073 0.7733 1 1362 1457 -57.021 0.000 0.8511 0.7829 1 1362 1473 -15.995 0.000 0.9447 0.8028 1 1362 1485 -43.006 0.000 0.8223 0.6326 1 1362 1521 -255.195 0.000 0.7668 0.5395 1 1365 1371 -0.000 0.000 0.7632 0.6284 1 1365 1374 -28.979 0.000 0.7579 0.6933 1 1365 1389 44.026 0.000 0.9214 0.8583 1 1365 1407 -27.995 0.000 0.9563 0.7487 1 1365 1457 -27.011 0.000 0.9618 0.8203 1 1365 1473 14.016 0.000 0.8282 0.7322 1 1365 1485 -12.995 0.000 0.7042 0.5153 1 1365 1521 -225.184 0.000 0.7054 0.5072 1 1367 1378 -72.021 0.000 0.7853 0.6474 1 1367 1388 -30.010 0.000 0.8576 0.7407 1 1367 1426 -71.037 0.000 0.7074 0.5601 1 1367 1487 -57.021 0.000 0.7541 0.6419 1 1369 1377 0.000 0.000 0.9756 0.8320 1 1370 1457 350.196 0.000 0.7060 0.5518 1 1371 1389 44.027 0.000 0.8719 0.7011 1 1371 1407 -27.994 0.000 0.7887 0.7692 1 1371 1457 -27.010 0.000 0.8410 0.7117 1 1371 1473 14.016 0.000 0.9633 0.8546 1 1371 1485 -12.995 0.000 0.8098 0.6391 1 1371 1521 -225.184 0.000 0.7253 0.5275 1 1374 1376 -1.003 0.000 0.9809 0.8962 1 1374 1407 0.984 0.000 0.8382 0.6697 1 1377 1522 -15.995 0.000 0.7010 0.6139 1 1378 1388 42.011 0.000 0.7805 0.6469 1 1378 1426 0.984 0.000 0.8697 0.7802 1 1378 1466 41.148 0.000 0.7084 0.6118 1 1378 1487 15.000 0.000 0.8532 0.7246 1 1388 1426 -41.026 0.000 0.7586 0.5957 1 1388 1466 -0.862 0.000 0.9462 0.8880 1 1388 1487 -27.011 0.000 0.7348 0.5921 1 1389 1407 -72.021 0.000 0.9322 0.8024 1 1389 1457 -71.037 0.000 0.9325 0.8155 1 1389 1473 -30.011 0.000 0.9315 0.8028 1 1389 1485 -57.022 0.000 0.8093 0.5997 1 1407 1457 0.984 0.000 0.9693 0.8807 1 1407 1473 42.010 0.000 0.8395 0.8200 1 1407 1485 14.999 0.000 0.7082 0.5864 1 1409 1415 -1.996 0.000 0.8308 0.7249 1 1409 1522 -57.022 0.000 0.7360 0.7566 1 1409 1549 0.000 0.000 0.9707 0.7518 1 1415 1549 1.996 0.000 0.7895 0.4986 1 1426 1437 -198.148 0.000 0.7366 0.5616 1 1426 1466 40.164 0.000 0.7180 0.5879 1 1426 1487 14.016 0.000 0.8909 0.7964 1 1437 1487 212.163 0.000 0.7288 0.5678 1 1457 1473 41.026 0.000 0.8735 0.7727 1 1457 1485 14.015 0.000 0.7629 0.5726 1 1457 1521 -198.174 0.000 0.7422 0.5631 1 1473 1485 -27.011 0.000 0.8492 0.6531 1 1473 1521 -239.200 0.000 0.7544 0.5286 1 1492 1509 0.000 0.000 0.8998 0.6483 1 1499 1510 0.000 0.000 0.9964 1.0000 1 1522 1524 -129.043 0.000 0.7726 0.5974 1 nf_output/DEREPLICATOR_IDENTIFIED_LIBRARY.mgf.tsv0000644000000000000000000000000114777454540017642 0ustar rootroot nf_output/SUMNER.mgf.tsv0000644000000000000000000000000114777454540014126 0ustar rootroot nf_output/library/0000755000000000000000000000000014777455226013266 5ustar rootrootnf_output/library/merged_results_with_gnps.tsv0000644000000000000000000023653114777455226021144 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 CCMSLIB00005464472 1409 spectra_filtered.mgf GNPS-MSMLS.mgf 0.995657 314980000.0 0 0.443144 10 0.000106812 241.031 1 temp/spectra_filtered.mgf1409 1 CYSTINE ESI Orbitrap Commercial Dorrestein Kelly Weldon M+H 241.031 240.024 1 56-89-3 N/A N[C@@H](CSSC[C@H](N)C(O)=O)C(O)=O """InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1""" N/A 1 Positive GNPS-MSMLS 241.031 UPDATE-SINGLE-ANNOTATED-GOLD Gold C6H12N2O4S2 LEVWYRKDKASIDU-IMJSIDKUSA-N LEVWYRKDKASIDU Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Aminoacids Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005464472 CCMSLIB00005885033 372 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.994848 10437000.0 0 6041.46 6 1.0034 167.089 1 temp/spectra_filtered.mgf372 1 Phenylalanine - 40.00 eV ESI Orbitrap Isolated Madeleine Ernst Anna Abrahamsson M+H 166.086 0.0 1 63-91-2 N/A N[C@@H](CC1=CC=CC=C1)C(O)=O InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1 N/A 1 Positive GNPS-LIBRARY 166.086 UPDATE-SINGLE-ANNOTATED-GOLD Gold C9H11NO2 COLNVLDHVKWLRT-QMMMGPOBSA-N COLNVLDHVKWLRT Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Aminoacids Amino acids and Peptides|Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005885033 CCMSLIB00000220666 378 spectra_filtered.mgf MASSBANK.mgf 0.994018 1815000.0 0 473.171 6 0.0970001 205.097 1 temp/spectra_filtered.mgf378 1 Massbank:KO004073 Trp|Tryptophan|L-Tryptophan|(S)-alpha-Amino-beta-(3-indolyl)-propionic acid ESI LC-ESI-QQ Isolated Putative Massbank Match Massbank [M+H]+ 205.0 0.0 1 73-22-3 N/A OC(=O)[C@H](N)Cc(c1)c(c2)c(ccc2)n1 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 Positive MASSBANK 205.0 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:CCMSLIB00000220666 CCMSLIB00006679502 1207 spectra_filtered.mgf MONA.mgf 0.993951 5217000.0 0 2.09732 7 0.000396729 189.16 1 temp/spectra_filtered.mgf1207 1 """NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE""" ESI Orbitrap isolated MoNA MoNA:MoNA038545 M+H 189.16 0.0 1 N/A N/A C[N+](C)(C)CCCC[C@@H](C(=O)[O-])N """InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/t8-/m0/s1""" N/A 3 positive MONA 189.16 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A MXNRLFUSFKVQSK-QMMMGPOBSA-N MXNRLFUSFKVQSK Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues N/A N/A N/A mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006679502 CCMSLIB00006679779 240 spectra_filtered.mgf MONA.mgf 0.993828 32202000.0 0 0.341482 7 9.15527e-05 268.104 1 temp/spectra_filtered.mgf240 1 ADENOSINE ESI Orbitrap isolated MoNA MoNA:MoNA038592 M+H 268.104 0.0 1 N/A N/A C([C@@H]1[C@H]([C@H]([C@H](N2C=NC3=C2N=CN=C3N)O1)O)O)O """InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1""" N/A 3 positive MONA 268.104 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C10H13N5O4 OIRDTQYFTABQOQ-KQYNXXCUSA-N OIRDTQYFTABQOQ N/A N/A N/A Nucleosides Purine nucleos(t)ides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006679779 CCMSLIB00013639057 982 spectra_filtered.mgf WINE-DB-ORBITRAP.mgf 0.993752 1435000.0 0 2.40803 7 0.000595093 247.129 1 temp/spectra_filtered.mgf982 1 Val-Glu ESI Orbitrap Commercial Axel_Marchal TE_MLS M+H 247.128 246.26 1 3062-07-5 N/A [C@H](NC([C@H](C(C)C)N)=O)(CCC(O)=O)C(O)=O InChI=1S/C10H18N2O5/c1-5(2)8(11)9(15)12-6(10(16)17)3-4-7(13)14/h5-6,8H,3-4,11H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)/t6-,8-/m0/s1 N/A 1 Positive WINE-DB-ORBITRAP 247.128 UPDATE-SINGLE-ANNOTATED-GOLD Gold C10H18N2O5 UPJONISHZRADBH-XPUUQOCRSA-N UPJONISHZRADBH Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00013639057 CCMSLIB00005884161 1187 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.993497 16736000.0 0 1.85753 6 0.000289917 156.077 1 temp/spectra_filtered.mgf1187 1 L-HISTIDINE - 20.0 eV ESI Orbitrap Isolated Madeleine Ernst Anna Abrahamsson M+H 156.077 0.0 1 5934-29-2 N/A N[C@@H](CC1=CNC=N1)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 N/A 1 Positive GNPS-LIBRARY 156.077 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:CCMSLIB00005884161 CCMSLIB00000577895 166 spectra_filtered.mgf GNPS-EMBL-MCF.mgf 0.993385 8581000.0 0 11.773 8 0.00350952 298.096 1 temp/spectra_filtered.mgf166 1 5'-METHYLTHIOADENOSINE LC-ESI Q-Exactive Plus Commercial standard Alexandrov Theodore Prasad M+H 298.1 297.09 0 2457-80-9 439176 CSCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14) N/A 1 Positive GNPS-EMBL-MCF 298.1 UPDATE-SINGLE-ANNOTATED-GOLD Gold C11H15N5O3S WUUGFSXJNOTRMR-UHFFFAOYSA-N WUUGFSXJNOTRMR Nucleosides, nucleotides, and analogues 5'-deoxyribonucleosides 5'-deoxy-5'-thionucleosides Nucleosides Purine nucleos(t)ides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000577895 CCMSLIB00005738304 1192 spectra_filtered.mgf MASSBANK.mgf 0.992854 9249000.0 0 6425.67 6 1.0029 157.08 1 temp/spectra_filtered.mgf1192 1 Massbank:RP002001 L-Histidine|(2S)-2-azaniumyl-3-(1H-imidazol-5-yl)propanoate ESI qTof Isolated Massbank Massbank M+H 156.077 0.0 1 71-00-1 N/A c1c([nH]cn1)C[C@@H](C(=O)O)N 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 N/A 3 Positive MASSBANK 156.077 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze 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:CCMSLIB00005738304 CCMSLIB00005885033 414 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.991927 6649000.0 0 6041.46 6 1.0034 167.089 1 temp/spectra_filtered.mgf414 1 Phenylalanine - 40.00 eV ESI Orbitrap Isolated Madeleine Ernst Anna Abrahamsson M+H 166.086 0.0 1 63-91-2 N/A N[C@@H](CC1=CC=CC=C1)C(O)=O InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1 N/A 1 Positive GNPS-LIBRARY 166.086 UPDATE-SINGLE-ANNOTATED-GOLD Gold C9H11NO2 COLNVLDHVKWLRT-QMMMGPOBSA-N COLNVLDHVKWLRT Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Aminoacids Amino acids and Peptides|Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005885033 CCMSLIB00010137630 465 spectra_filtered.mgf MCE-DRUG.mgf 0.991859 127610000.0 0 7593.36 6 1.0031 133.105 1 temp/spectra_filtered.mgf465 1 D-LEUCINE ESI Orbitrap Crude Tomas Pluskal Corinna Brungs M+H 132.102 131.095 0 N/A N/A CC(C)C[C@@H](N)C(=O)O """InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m1/s1""" ROHFNLRQFUQHCH-RXMQYKEDSA-N 3 Positive MCE-DRUG 132.102 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C6H13NO2 ROHFNLRQFUQHCH-RXMQYKEDSA-N ROHFNLRQFUQHCH Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Aminoacids Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00010137630 CCMSLIB00005738652 238 spectra_filtered.mgf MASSBANK.mgf 0.990043 18312000.0 0 3742.99 7 1.00351 269.108 1 temp/spectra_filtered.mgf238 1 Massbank:RP010902 Adenosine|(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol ESI qTof Isolated Massbank Massbank M+H 268.104 0.0 1 58-61-7 N/A NC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2=NC=N1 1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 N/A 3 Positive MASSBANK 268.104 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C10H13N5O4 OIRDTQYFTABQOQ-KQYNXXCUSA-N OIRDTQYFTABQOQ N/A N/A N/A Nucleosides Purine nucleos(t)ides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005738652 CCMSLIB00005464443 1150 spectra_filtered.mgf GNPS-MSMLS.mgf 0.990036 1574000.0 0 0.297161 14 9.15527e-05 308.091 1 temp/spectra_filtered.mgf1150 1 GLUTATHIONE REDUCED ESI Orbitrap Commercial Dorrestein Kelly Weldon M+H 308.091 307.084 1 70-18-8 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 1 Positive GNPS-MSMLS 308.091 UPDATE-SINGLE-ANNOTATED-GOLD Gold C10H17N3O6S RWSXRVCMGQZWBV-WDSKDSINSA-N RWSXRVCMGQZWBV Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Tripeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005464443 CCMSLIB00006679241 1003 spectra_filtered.mgf MONA.mgf 0.989944 82930000.0 0 0.354704 7 9.15527e-05 258.11 1 temp/spectra_filtered.mgf1003 1 SN-GLYCERO-3-PHOSPHOCHOLINE ESI Orbitrap isolated MoNA MoNA:MoNA038795 M+H 258.11 0.0 1 N/A N/A C[N+](C)(C)CCOP(=O)([O-])OC[C@H](CO)O """InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/t8-/m0/s1""" N/A 3 positive MONA 258.11 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A SUHOQUVVVLNYQR-QMMMGPOBSA-N SUHOQUVVVLNYQR Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines N/A N/A N/A mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006679241 CCMSLIB00005883850 698 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.988584 7460000.0 0 1.67983 6 0.000198364 118.086 1 temp/spectra_filtered.mgf698 1 L-VALINE - 20.0 eV ESI Orbitrap Isolated Madeleine Ernst Anna Abrahamsson M+H 118.086 0.0 1 72-18-4 N/A CC(C)[C@H](N)C(O)=O InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1 N/A 1 Positive GNPS-LIBRARY 118.086 UPDATE-SINGLE-ANNOTATED-GOLD Gold C5H11NO2 KZSNJWFQEVHDMF-BYPYZUCNSA-N KZSNJWFQEVHDMF Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Aminoacids Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005883850 CCMSLIB00012335088 1121 spectra_filtered.mgf MSNLIB-POSITIVE.mgf 0.985699 2533000.0 0 1.05155 9 0.000213623 203.15 1 temp/spectra_filtered.mgf1121 1 N,N-dimethylarginine ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M+H]+ 203.15 202.143 1 N/A N/A CN(C)C(N)=NCCC[C@H](N)C(=O)O InChI=1S/C8H18N4O2/c1-12(2)8(10)11-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H2,10,11)(H,13,14)/t6-/m0/s1 YDGMGEXADBMOMJ-LURJTMIESA-N 1 Positive MSNLIB-POSITIVE 203.15 UPDATE-SINGLE-ANNOTATED-GOLD Gold C8H18N4O2 YDGMGEXADBMOMJ-LURJTMIESA-N YDGMGEXADBMOMJ Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Aminoacids Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012335088 CCMSLIB00005464320 1144 spectra_filtered.mgf GNPS-MSMLS.mgf 0.985371 1317000.0 0 1.78813 11 0.000518799 290.134 1 temp/spectra_filtered.mgf1144 1 OPHTHALMATE ESI Orbitrap Commercial Dorrestein Kelly Weldon M+H 290.135 289.127 1 495-27-2 N/A CC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O """InChI=1S/C11H19N3O6/c1-2-7(10(18)13-5-9(16)17)14-8(15)4-3-6(12)11(19)20/h6-7H,2-5,12H2,1H3,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1""" N/A 1 Positive GNPS-MSMLS 290.135 UPDATE-SINGLE-ANNOTATED-GOLD Gold C11H19N3O6 JCMUOFQHZLPHQP-BQBZGAKWSA-N JCMUOFQHZLPHQP Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides|Tripeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005464320 CCMSLIB00006679502 1206 spectra_filtered.mgf MONA.mgf 0.984754 3050000.0 0 5301.29 7 1.00279 190.163 1 temp/spectra_filtered.mgf1206 1 """NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE""" ESI Orbitrap isolated MoNA MoNA:MoNA038545 M+H 189.16 0.0 1 N/A N/A C[N+](C)(C)CCCC[C@@H](C(=O)[O-])N """InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/t8-/m0/s1""" N/A 3 positive MONA 189.16 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A MXNRLFUSFKVQSK-QMMMGPOBSA-N MXNRLFUSFKVQSK Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues N/A N/A N/A mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006679502 CCMSLIB00010102912 845 spectra_filtered.mgf BERKELEY-LAB.mgf 0.982056 578000.0 0 0.0 7 0.0 241.031 1 temp/spectra_filtered.mgf845 1 L-cystine CollisionEnergy:102040 LC-ESI Orbitrap Commercial Trent Northen JGI M+H 241.031 0.0 1 N/A N/A N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O """InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1""" N/A 3 Positive BERKELEY-LAB 241.031 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C6H12N2O4S2 LEVWYRKDKASIDU-IMJSIDKUSA-N LEVWYRKDKASIDU Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Aminoacids Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00010102912 CCMSLIB00000479728 390 spectra_filtered.mgf GNPS-EMBL-MCF.mgf 0.981588 26328000.0 0 83.6891 6 0.0139008 166.086 1 temp/spectra_filtered.mgf390 1 Phenylalanine DI-ESI Orbitrap Commercial Alexandrov Theodore Prasad M+H 166.1 165.079 1 150-30-1 6140 N/A """InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)""" COLNVLDHVKWLRT-UHFFFAOYSA-N 1 Positive GNPS-EMBL-MCF 166.1 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:CCMSLIB00000479728 CCMSLIB00005464472 1549 spectra_filtered.mgf GNPS-MSMLS.mgf 0.978582 464000.0 0 0.443144 7 0.000106812 241.031 1 temp/spectra_filtered.mgf1549 1 CYSTINE ESI Orbitrap Commercial Dorrestein Kelly Weldon M+H 241.031 240.024 1 56-89-3 N/A N[C@@H](CSSC[C@H](N)C(O)=O)C(O)=O """InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1""" N/A 1 Positive GNPS-MSMLS 241.031 UPDATE-SINGLE-ANNOTATED-GOLD Gold C6H12N2O4S2 LEVWYRKDKASIDU-IMJSIDKUSA-N LEVWYRKDKASIDU Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Aminoacids Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005464472 CCMSLIB00010150603 999 spectra_filtered.mgf MCE-DRUG.mgf 0.970682 48856000.0 0 3887.2 7 1.00333 259.113 1 temp/spectra_filtered.mgf999 1 Choline Alfoscerate ESI Orbitrap Crude Tomas Pluskal Corinna Brungs M+H 258.11 257.103 1 N/A N/A C[N+](C)(C)CCOP(=O)([O-])OC[C@H](O)CO """InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/t8-/m1/s1""" SUHOQUVVVLNYQR-MRVPVSSYSA-N 3 Positive MCE-DRUG 258.11 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A SUHOQUVVVLNYQR-MRVPVSSYSA-N SUHOQUVVVLNYQR Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines N/A N/A N/A mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00010150603 CCMSLIB00000573096 1019 spectra_filtered.mgf MONA.mgf 0.969252 690000.0 0 0.876765 7 0.000305176 348.07 1 temp/spectra_filtered.mgf1019 1 AMP portion of methylmalonyl-CoA? and as listed by MoNA:3472824 Methylmalonyl-Coenzyme A LC-ESI qTof Commercial MoNA MoNA M+H 348.07 347.063 1 N/A N/A C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N InChI=1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(17)7(4(1-16)21-10)22-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1/f/h18-19H,11H2 N/A 3 Positive MONA 348.07 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C10H14N5O7P LNQVTSROQXJCDD-KQYNXXCUSA-N LNQVTSROQXJCDD N/A N/A N/A Nucleosides Purine nucleos(t)ides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000573096 CCMSLIB00003137398 278 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.966963 1836000.0 0 16.1599 9 0.00379944 235.119 1 temp/spectra_filtered.mgf278 1 Spectral Match to His-Pro from NIST14 ESI qTof Isolated Data from Pieter Dorrestein Data deposited by lfnothias M+H-H2O 235.115 252.122 1 N/A N/A C1C[C@H](N(C1)C(=O)[C@H](CC2=CN=CN2)N)C(=O)O InChI=1S/C11H16N4O3/c12-8(4-7-5-13-6-14-7)10(16)15-3-1-2-9(15)11(17)18/h5-6,8-9H,1-4,12H2,(H,13,14)(H,17,18)/t8-,9-/m0/s1 N/A 3 Positive GNPS-NIST14-MATCHES 235.115 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C11H16N4O3 LNCFUHAPNTYMJB-IUCAKERBSA-N LNCFUHAPNTYMJB Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00003137398 CCMSLIB00003137590 640 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.966193 5894000.0 0 2.3188 6 0.00050354 217.154 1 temp/spectra_filtered.mgf640 1 Spectral Match to Val-Val from NIST14 ESI qTof Isolated Data from Chris Turck Data deposited by fevargas M+H 217.155 216.147 1 3918943 N/A CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)O)N InChI=1S/C10H20N2O3/c1-5(2)7(11)9(13)12-8(6(3)4)10(14)15/h5-8H,11H2,1-4H3,(H,12,13)(H,14,15)/t7-,8-/m0/s1 N/A 3 Positive GNPS-NIST14-MATCHES 217.155 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C10H20N2O3 KRNYOVHEKOBTEF-YUMQZZPRSA-N KRNYOVHEKOBTEF Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00003137590 CCMSLIB00000007145 114 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.965279 430000.0 0 3.56063 8 0.000701904 197.128 1 temp/spectra_filtered.mgf114 1 cyclo(L-Val-L-Pro) DI-ESI qTof Isolated Keyzers R Keyzers M+H 197.129 196.121 1 285-40-2 N/A CC(C)[C@H]1C(=O)N2CCC[C@H]2C(=O)N1 InChI=1S/C10H16N2O2/c1-6(2)8-10(14)12-5-3-4-7(12)9(13)11-8/h6-8H,3-5H2,1-2H3,(H,11,13)/t7-,8-/m0/s1 N/A 3 Positive GNPS-LIBRARY 197.129 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C10H16N2O2 XLUAWXQORJEMBD-YUMQZZPRSA-N XLUAWXQORJEMBD Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000007145 CCMSLIB00003137900 922 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.961442 1141000.0 0 7591.3 6 1.99759 261.144 1 temp/spectra_filtered.mgf922 1 Spectral Match to Ile-Met from NIST14 ESI QqQ Isolated Data from Joshua Wollam Data deposited by fevargas M+H 263.142 0.0 1 N/A N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 263.142 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze ??[Chemical Family]||Adenosine[Chemical Family] N/A N/A N/A N/A N/A N/A N/A N/A N/A mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00003137900 CCMSLIB00010133244 305 spectra_filtered.mgf MCE-DRUG.mgf 0.960925 1635000.0 0 1.29796 8 0.000305176 235.119 1 temp/spectra_filtered.mgf305 1 Cyclo(-His-Pro) ESI Orbitrap Crude Tomas Pluskal Corinna Brungs M+H 235.119 234.112 1 N/A N/A O=C1N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@@H]12 """InChI=1S/C11H14N4O2/c16-10-9-2-1-3-15(9)11(17)8(14-10)4-7-5-12-6-13-7/h5-6,8-9H,1-4H2,(H,12,13)(H,14,16)/t8-,9-/m0/s1""" NAKUGCPAQTUSBE-IUCAKERBSA-N 3 Positive MCE-DRUG 235.119 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C11H14N4O2 NAKUGCPAQTUSBE-IUCAKERBSA-N NAKUGCPAQTUSBE Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00010133244 CCMSLIB00000217068 1354 spectra_filtered.mgf MASSBANK.mgf 0.959477 795000.0 0 687.135 6 0.149796 218.15 1 temp/spectra_filtered.mgf1354 1 Massbank:KO002290 b-Ala-Lys|beta-Alanyl-L-lysine|beta-Ala-Lys ESI LC-ESI-QQ Isolated Putative Massbank Match Massbank [M+H]+ 218.0 0.0 1 N/A N/A NCCCC[C@@H](C(O)=O)NC(=O)CCN 1S/C9H19N3O3/c10-5-2-1-3-7(9(14)15)12-8(13)4-6-11/h7H,1-6,10-11H2,(H,12,13)(H,14,15)/t7-/m0/s1 N/A 3 Positive MASSBANK 218.0 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C9H19N3O3 PLDCWKCPEXNWJH-ZETCQYMHSA-N PLDCWKCPEXNWJH Organic acids and derivatives Peptidomimetics Hybrid peptides Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000217068 CCMSLIB00003137060 380 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.95531 6809000.0 0 2.10947 6 0.000396729 188.07 1 temp/spectra_filtered.mgf380 1 Spectral Match to L-Tryptophan from NIST14 ESI HCD Isolated Data from Pieter C Dorrestein Data deposited by negarg M+H-NH3 188.07 0.0 1 73223 N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 188.07 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:CCMSLIB00003137060 CCMSLIB00000007146 130 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.954501 423000.0 0 3.56063 8 0.000701904 197.128 1 temp/spectra_filtered.mgf130 1 cyclo(L-Val-L-Pro) DI-ESI qTof Isolated Keyzers R Keyzers M+H 197.129 196.121 1 285-40-2 N/A N/A N/A N/A 3 Positive GNPS-LIBRARY 197.129 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze Peptide[Chemical Family] N/A N/A N/A N/A N/A N/A N/A N/A N/A mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000007146 CCMSLIB00000221713 1298 spectra_filtered.mgf MASSBANK.mgf 0.953598 681000.0 0 6.7964 6 0.00119019 175.119 1 temp/spectra_filtered.mgf1298 1 Massbank:PB000419 Arginine|2-amino-5-(diaminomethylideneamino)pentanoic acid ESI LC-ESI-QTOF Isolated Putative Massbank Match Massbank [M+H]+ 175.12 0.0 1 N/A N/A C(CC(C(=O)O)N)CN=C(N)N 1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10) N/A 3 Positive MASSBANK 175.12 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C6H14N4O2 ODKSFYDXXFIFQN-UHFFFAOYSA-N ODKSFYDXXFIFQN Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Aminoacids Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000221713 CCMSLIB00000221713 1242 spectra_filtered.mgf MASSBANK.mgf 0.947687 33562000.0 0 6.7964 6 0.00119019 175.119 1 temp/spectra_filtered.mgf1242 1 Massbank:PB000419 Arginine|2-amino-5-(diaminomethylideneamino)pentanoic acid ESI LC-ESI-QTOF Isolated Putative Massbank Match Massbank [M+H]+ 175.12 0.0 1 N/A N/A C(CC(C(=O)O)N)CN=C(N)N 1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10) N/A 3 Positive MASSBANK 175.12 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C6H14N4O2 ODKSFYDXXFIFQN-UHFFFAOYSA-N ODKSFYDXXFIFQN Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Aminoacids Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000221713 CCMSLIB00003134852 879 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.946948 6957000.0 0 2.26762 12 0.000610352 269.161 1 temp/spectra_filtered.mgf879 1 Spectral Match to His-Ile from NIST14 ESI qTof Isolated Data from Gabriel Haddad Data deposited by mjmeehan M+H 269.16 268.154 1 N/A N/A CCC(C)C(C(=O)O)NC(=O)C(CC1=CN=CN1)N InChI=1S/C12H20N4O3/c1-3-7(2)10(12(18)19)16-11(17)9(13)4-8-5-14-6-15-8/h5-7,9-10H,3-4,13H2,1-2H3,(H,14,15)(H,16,17)(H,18,19) N/A 3 Positive GNPS-NIST14-MATCHES 269.16 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C12H20N4O3 IDXZDKMBEXLFMB-UHFFFAOYSA-N IDXZDKMBEXLFMB Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00003134852 CCMSLIB00000217027 1133 spectra_filtered.mgf MASSBANK.mgf 0.945941 173000.0 0 934.033 6 0.175598 188.176 1 temp/spectra_filtered.mgf1133 1 Massbank:KO002270 N8-Acetylspermidine ESI LC-ESI-QQ Isolated Putative Massbank Match Massbank [M+H]+ 188.0 0.0 1 34450-15-2 N/A NCCCNCCCCNC(C)=O 1S/C9H21N3O/c1-9(13)12-8-3-2-6-11-7-4-5-10/h11H,2-8,10H2,1H3,(H,12,13) N/A 3 Positive MASSBANK 188.0 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C9H21N3O FONIWJIDLJEJTL-UHFFFAOYSA-N FONIWJIDLJEJTL Organic acids and derivatives Carboximidic acids and derivatives Carboximidic acids Ornithine alkaloids Polyamines Alkaloids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000217027 CCMSLIB00004702431 14 spectra_filtered.mgf MONA.mgf 0.945192 784000.0 0 544.997 9 0.124298 228.195 1 temp/spectra_filtered.mgf14 1 MUCIC ACID N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF011368 [M+NH4]+ 228.071 0.0 1 N/A N/A O=C(O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2+,3+,4- N/A 3 positive MONA 228.071 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C6H10O8 DSLZVSRJTYRBFB-DUHBMQHGSA-N DSLZVSRJTYRBFB Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Fatty Acids and Conjugates Hydroxy fatty acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004702431 CCMSLIB00000007136 113 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.943872 355000.0 0 0.809227 6 0.000198364 245.128 1 temp/spectra_filtered.mgf113 1 cyclo(L-Phe-D-Pro) DI-ESI qTof Isolated Keyzers R Keyzers M+H 245.128 244.121 1 32021-26-4 N/A N/A N/A N/A 3 Positive GNPS-LIBRARY 245.128 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:CCMSLIB00000007136 CCMSLIB00003135133 460 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.94149 1635000.0 0 0.0 7 0.0 231.17 1 temp/spectra_filtered.mgf460 1 Spectral Match to Leu-Val from NIST14 ESI qTof Isolated Data from Gabriel Haddad Data deposited by mjmeehan M+H 231.17 230.163 1 13588959 N/A CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)O)N InChI=1S/C11H22N2O3/c1-6(2)5-8(12)10(14)13-9(7(3)4)11(15)16/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16)/t8-,9-/m0/s1 N/A 3 Positive GNPS-NIST14-MATCHES 231.17 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C11H22N2O3 MDSUKZSLOATHMH-IUCAKERBSA-N MDSUKZSLOATHMH Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00003135133 CCMSLIB00000221713 1272 spectra_filtered.mgf MASSBANK.mgf 0.940977 2571000.0 0 6.7964 6 0.00119019 175.119 1 temp/spectra_filtered.mgf1272 1 Massbank:PB000419 Arginine|2-amino-5-(diaminomethylideneamino)pentanoic acid ESI LC-ESI-QTOF Isolated Putative Massbank Match Massbank [M+H]+ 175.12 0.0 1 N/A N/A C(CC(C(=O)O)N)CN=C(N)N 1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10) N/A 3 Positive MASSBANK 175.12 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C6H14N4O2 ODKSFYDXXFIFQN-UHFFFAOYSA-N ODKSFYDXXFIFQN Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Aminoacids Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000221713 CCMSLIB00000007136 107 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.940913 371000.0 0 0.373489 6 9.15527e-05 245.128 1 temp/spectra_filtered.mgf107 1 cyclo(L-Phe-D-Pro) DI-ESI qTof Isolated Keyzers R Keyzers M+H 245.128 244.121 1 32021-26-4 N/A N/A N/A N/A 3 Positive GNPS-LIBRARY 245.128 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:CCMSLIB00000007136 CCMSLIB00005884607 228 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.940431 2370000.0 0 0.901172 11 0.000198364 220.118 1 temp/spectra_filtered.mgf228 1 D-PANTOTHENIC ACID - 40.0 eV ESI Orbitrap Isolated Madeleine Ernst Anna Abrahamsson M+H 220.118 0.0 1 137-08-6 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 1 Positive GNPS-LIBRARY 220.118 UPDATE-SINGLE-ANNOTATED-GOLD Gold C9H17NO5 GHOKWGTUZJEAQD-UHFFFAOYSA-N GHOKWGTUZJEAQD Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005884607 CCMSLIB00000221715 1246 spectra_filtered.mgf MASSBANK.mgf 0.940396 21744000.0 0 5722.39 7 1.00211 176.122 1 temp/spectra_filtered.mgf1246 1 Massbank:PB000420 Arginine|2-amino-5-(diaminomethylideneamino)pentanoic acid ESI LC-ESI-QTOF Isolated Putative Massbank Match Massbank [M+H]+ 175.12 0.0 1 N/A N/A C(CC(C(=O)O)N)CN=C(N)N 1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10) N/A 3 Positive MASSBANK 175.12 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C6H14N4O2 ODKSFYDXXFIFQN-UHFFFAOYSA-N ODKSFYDXXFIFQN Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Aminoacids Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000221715 CCMSLIB00005749482 98 spectra_filtered.mgf MASSBANK.mgf 0.939981 875000.0 0 4751.28 10 1.0032 212.147 1 temp/spectra_filtered.mgf98 1 Massbank:PR300811 Cyclo(proline-leucine) ESI qTof Isolated Massbank Massbank M+H 211.144 0.0 1 N/A N/A CC(C)CC1N=C(O)C2CCCN2C1=O 1S/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14) N/A 3 Positive MASSBANK 211.144 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C11H18N2O2 SZJNCZMRZAUNQT-UHFFFAOYSA-N SZJNCZMRZAUNQT Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005749482 CCMSLIB00004719579 111 spectra_filtered.mgf MONA.mgf 0.93881 1509000.0 0 3847.17 6 0.893097 231.251 1 temp/spectra_filtered.mgf111 1 Harmaline N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF026687 [M+NH4]+ 232.144 0.0 1 N/A N/A COc1ccc2c(c1)=NC1=C(C)NCCC=21 InChI=1S/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,14H,5-6H2,1-2H3 N/A 3 positive MONA 232.144 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C13H14N2O QJOZJXNKVMFAET-UHFFFAOYSA-N QJOZJXNKVMFAET N/A N/A N/A Tryptophan alkaloids Carboline alkaloids Alkaloids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004719579 CCMSLIB00003136698 1111 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.937353 8284000.0 0 1.17286 9 0.000305176 260.197 1 temp/spectra_filtered.mgf1111 1 Spectral Match to Lys-Leu from NIST14 ESI qTof Isolated Data from Pieter Dorrestein Data deposited by lfnothias M+H 260.197 259.19 1 N/A N/A CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CCCCN)N InChI=1S/C12H25N3O3/c1-8(2)7-10(12(17)18)15-11(16)9(14)5-3-4-6-13/h8-10H,3-7,13-14H2,1-2H3,(H,15,16)(H,17,18)/t9-,10-/m0/s1 N/A 3 Positive GNPS-NIST14-MATCHES 260.197 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C12H25N3O3 ATIPDCIQTUXABX-UWVGGRQHSA-N ATIPDCIQTUXABX Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00003136698 CCMSLIB00003136698 1053 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.937143 19244000.0 0 1.17286 9 0.000305176 260.197 1 temp/spectra_filtered.mgf1053 1 Spectral Match to Lys-Leu from NIST14 ESI qTof Isolated Data from Pieter Dorrestein Data deposited by lfnothias M+H 260.197 259.19 1 N/A N/A CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CCCCN)N InChI=1S/C12H25N3O3/c1-8(2)7-10(12(17)18)15-11(16)9(14)5-3-4-6-13/h8-10H,3-7,13-14H2,1-2H3,(H,15,16)(H,17,18)/t9-,10-/m0/s1 N/A 3 Positive GNPS-NIST14-MATCHES 260.197 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C12H25N3O3 ATIPDCIQTUXABX-UWVGGRQHSA-N ATIPDCIQTUXABX Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00003136698 CCMSLIB00004719579 110 spectra_filtered.mgf MONA.mgf 0.935103 2767000.0 0 8169.04 6 1.89639 230.248 1 temp/spectra_filtered.mgf110 1 Harmaline N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF026687 [M+NH4]+ 232.144 0.0 1 N/A N/A COc1ccc2c(c1)=NC1=C(C)NCCC=21 InChI=1S/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,14H,5-6H2,1-2H3 N/A 3 positive MONA 232.144 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C13H14N2O QJOZJXNKVMFAET-UHFFFAOYSA-N QJOZJXNKVMFAET N/A N/A N/A Tryptophan alkaloids Carboline alkaloids Alkaloids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004719579 CCMSLIB00003137734 1157 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.933859 2533000.0 0 1.17286 6 0.000305176 260.197 1 temp/spectra_filtered.mgf1157 1 Spectral Match to Ile-Lys from NIST14 ESI qTof Isolated Data from Pieter Dorrestein Data deposited by lfnothias M+H 260.197 259.19 1 N/A N/A CCC(C)C(C(=O)NC(CCCCN)C(=O)O)N InChI=1S/C12H25N3O3/c1-3-8(2)10(14)11(16)15-9(12(17)18)6-4-5-7-13/h8-10H,3-7,13-14H2,1-2H3,(H,15,16)(H,17,18) N/A 3 Positive GNPS-NIST14-MATCHES 260.197 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C12H25N3O3 UWBDLNOCIDGPQE-UHFFFAOYSA-N UWBDLNOCIDGPQE Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00003137734 CCMSLIB00000218474 1407 spectra_filtered.mgf MASSBANK.mgf 0.933076 5478000.0 0 3050.55 6 0.845001 276.155 1 temp/spectra_filtered.mgf1407 1 Massbank:KO002982 Glu-Glu ESI LC-ESI-QQ Isolated Putative Massbank Match Massbank [M+H]+ 277.0 0.0 1 3929-61-1 N/A OC(=O)CCC(N)C(=O)NC(CCC(O)=O)C(O)=O 1S/C10H16N2O7/c11-5(1-3-7(13)14)9(17)12-6(10(18)19)2-4-8(15)16/h5-6H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1 N/A 3 Positive MASSBANK 277.0 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C10H16N2O7 KOSRFJWDECSPRO-UHFFFAOYSA-N KOSRFJWDECSPRO Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000218474 CCMSLIB00003139626 353 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.931392 606000.0 0 0.0 7 0.0 229.118 1 temp/spectra_filtered.mgf353 1 Spectral Match to PyroGlu-Val from NIST14 ESI Q-TOF Isolated Data from Joshua Wollam Data deposited by fevargas M+H 229.118 0.0 1 N/A N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 229.118 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:CCMSLIB00003139626 CCMSLIB00003136730 1128 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.930395 5814000.0 0 0.317668 11 9.15527e-05 288.203 1 temp/spectra_filtered.mgf1128 1 Spectral Match to Ile-Arg from NIST14 ESI Q-TOF Isolated Data from Pieter Dorrestein Data deposited by lfnothias M+H 288.203 0.0 1 N/A N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 288.203 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:CCMSLIB00003136730 CCMSLIB00003136698 1054 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.930384 11115000.0 0 3855.21 11 1.00311 261.2 1 temp/spectra_filtered.mgf1054 1 Spectral Match to Lys-Leu from NIST14 ESI qTof Isolated Data from Pieter Dorrestein Data deposited by lfnothias M+H 260.197 259.19 1 N/A N/A CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CCCCN)N InChI=1S/C12H25N3O3/c1-8(2)7-10(12(17)18)15-11(16)9(14)5-3-4-6-13/h8-10H,3-7,13-14H2,1-2H3,(H,15,16)(H,17,18)/t9-,10-/m0/s1 N/A 3 Positive GNPS-NIST14-MATCHES 260.197 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C12H25N3O3 ATIPDCIQTUXABX-UWVGGRQHSA-N ATIPDCIQTUXABX Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00003136698 CCMSLIB00006683005 505 spectra_filtered.mgf MONA.mgf 0.928482 20025000.0 0 7594.05 6 1.00319 133.105 1 temp/spectra_filtered.mgf505 1 ISOLEUCINE ESI qTof isolated MoNA MoNA:MoNA036034 M+H 132.102 0.0 1 N/A N/A CC[C@H](C)[C@@H](C(=O)O)N """InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1""" N/A 3 positive MONA 132.102 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C6H13NO2 AGPKZVBTJJNPAG-WHFBIAKZSA-N AGPKZVBTJJNPAG Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Aminoacids Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006683005 CCMSLIB00003134852 924 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.928187 1351000.0 0 2.60776 8 0.000701904 269.161 1 temp/spectra_filtered.mgf924 1 Spectral Match to His-Ile from NIST14 ESI qTof Isolated Data from Gabriel Haddad Data deposited by mjmeehan M+H 269.16 268.154 1 N/A N/A CCC(C)C(C(=O)O)NC(=O)C(CC1=CN=CN1)N InChI=1S/C12H20N4O3/c1-3-7(2)10(12(18)19)16-11(17)9(13)4-8-5-14-6-15-8/h5-7,9-10H,3-4,13H2,1-2H3,(H,14,15)(H,16,17)(H,18,19) N/A 3 Positive GNPS-NIST14-MATCHES 269.16 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C12H20N4O3 IDXZDKMBEXLFMB-UHFFFAOYSA-N IDXZDKMBEXLFMB Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00003134852 CCMSLIB00003136698 1112 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.923142 4548000.0 0 3855.21 10 1.00311 261.2 1 temp/spectra_filtered.mgf1112 1 Spectral Match to Lys-Leu from NIST14 ESI qTof Isolated Data from Pieter Dorrestein Data deposited by lfnothias M+H 260.197 259.19 1 N/A N/A CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CCCCN)N InChI=1S/C12H25N3O3/c1-8(2)7-10(12(17)18)15-11(16)9(14)5-3-4-6-13/h8-10H,3-7,13-14H2,1-2H3,(H,15,16)(H,17,18)/t9-,10-/m0/s1 N/A 3 Positive GNPS-NIST14-MATCHES 260.197 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C12H25N3O3 ATIPDCIQTUXABX-UWVGGRQHSA-N ATIPDCIQTUXABX Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00003136698 CCMSLIB00006682581 586 spectra_filtered.mgf MONA.mgf 0.91982 2264000.0 0 0.711802 6 0.000106812 150.058 1 temp/spectra_filtered.mgf586 1 METHIONINE ESI qTof isolated MoNA MoNA:MoNA032419 M+H 150.058 0.0 1 N/A N/A CSCC[C@@H](C(=O)O)N """InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1""" N/A 3 positive MONA 150.058 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C5H11NO2S FFEARJCKVFRZRR-BYPYZUCNSA-N FFEARJCKVFRZRR Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Aminoacids Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006682581 CCMSLIB00003134511 13 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.91912 1088000.0 0 0.0 9 0.0 338.341 1 temp/spectra_filtered.mgf13 1 Spectral Match to 13-Docosenamide, (Z)- from NIST14 ESI QQQ Isolated Data from Piel Data deposited by eriche M+H 338.341 337.335 1 112845 N/A CCCCCCCC/C=C\CCCCCCCCCCCC(=O)N InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9- N/A 3 Positive GNPS-NIST14-MATCHES 338.341 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C22H43NO UAUDZVJPLUQNMU-KTKRTIGZSA-N UAUDZVJPLUQNMU Lipids and lipid-like molecules Fatty Acyls Fatty amides Fatty amides Primary amides Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00003134511 CCMSLIB00005885075 1067 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.918371 23019000.0 0 6778.34 6 1.0036 149.064 1 temp/spectra_filtered.mgf1067 1 Glutamate - 40.00 eV ESI Orbitrap Isolated Madeleine Ernst Anna Abrahamsson M+H 148.06 0.0 1 56-86-0 N/A N[C@@H](CCC(O)=O)C(O)=O InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 N/A 1 Positive GNPS-LIBRARY 148.06 UPDATE-SINGLE-ANNOTATED-GOLD Gold C5H9NO4 WHUUTDBJXJRKMK-VKHMYHEASA-N WHUUTDBJXJRKMK Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Aminoacids Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005885075 CCMSLIB00012716495 1216 spectra_filtered.mgf GNPS-N-ACYL-LIPIDS-MASSQL.mgf 0.917513 3056000.0 0 4403.44 6 0.995697 227.114 1 temp/spectra_filtered.mgf1216 1 Candidate Histidine-C4:0 (delta mass:70.0409) LC-ESI Orbitrap Crude Pieter Dorrestein helenamrusso M+H 226.118 226.118 0 N/A N/A N/A N/A N/A 4 Positive GNPS-N-ACYL-LIPIDS-MASSQL 226.118 UPDATE-SINGLE-ANNOTATED-BRONZE Insilico N/A N/A N/A N/A N/A N/A N/A N/A N/A mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012716495 CCMSLIB00005885075 1071 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.914185 42220000.0 0 2.06116 6 0.000305176 148.06 1 temp/spectra_filtered.mgf1071 1 Glutamate - 40.00 eV ESI Orbitrap Isolated Madeleine Ernst Anna Abrahamsson M+H 148.06 0.0 1 56-86-0 N/A N[C@@H](CCC(O)=O)C(O)=O InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 N/A 1 Positive GNPS-LIBRARY 148.06 UPDATE-SINGLE-ANNOTATED-GOLD Gold C5H9NO4 WHUUTDBJXJRKMK-VKHMYHEASA-N WHUUTDBJXJRKMK Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Aminoacids Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005885075 CCMSLIB00003140066 1029 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.913608 6557000.0 0 3.17669 12 0.000915527 288.203 1 temp/spectra_filtered.mgf1029 1 Spectral Match to Arg-Ile from NIST14 ESI qTof Isolated Data from Julia Gauglitz Data deposited by fevargas M+H 288.202 287.196 1 N/A N/A CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CCCN=C(N)N)N InChI=1S/C12H25N5O3/c1-3-7(2)9(11(19)20)17-10(18)8(13)5-4-6-16-12(14)15/h7-9H,3-6,13H2,1-2H3,(H,17,18)(H,19,20)(H4,14,15,16)/t7-,8-,9-/m0/s1 N/A 3 Positive GNPS-NIST14-MATCHES 288.202 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C12H25N5O3 QYLJIYOGHRGUIH-CIUDSAMLSA-N QYLJIYOGHRGUIH Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00003140066 CCMSLIB00000221255 1376 spectra_filtered.mgf RESPECT.mgf 0.91063 1722000.0 0 3616.87 6 1.00238 278.142 1 temp/spectra_filtered.mgf1376 1 ReSpect:PT105020 L-saccharopine|epsilon-N-(L-glutar-2-yl)-L-lysine|N6-(L-1,3-dicarboxylpropyl)-L-lysine|(2S)-2-[[(5S)-5-amino-6-hydroxy-6-oxohexyl]amino]pentanedioic acid ESI LC-Q-TOF/MS Isolated Putative ReSpect Match ReSpect [M+H] 277.14 0.0 1 997-68-2 N/A C(CCNC(CCC(=O)O)C(=O)O)CC(C(=O)O)N 1/C11H20N2O6/c12-7(10(16)17)3-1-2-6-13-8(11(18)19)4-5-9(14)15/h7-8,13H,1-6,12H2,(H,14,15)(H,16,17)(H,18,19)/t7-,8-/m0/s1/f/h14,16,18H N/A 3 Positive RESPECT 277.14 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C11H20N2O6 ZDGJAHTZVHVLOT-UHFFFAOYSA-N ZDGJAHTZVHVLOT Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Aminoacids Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000221255 CCMSLIB00003138103 1127 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.910443 3042000.0 0 3503.2 11 1.00961 289.207 1 temp/spectra_filtered.mgf1127 1 Spectral Match to Ile-Arg from NIST14 ESI qTof Isolated Data from Pieter Dorrestein Data deposited by lfnothias M+H 288.197 287.196 1 N/A N/A CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)N InChI=1S/C12H25N5O3/c1-3-7(2)9(13)10(18)17-8(11(19)20)5-4-6-16-12(14)15/h7-9H,3-6,13H2,1-2H3,(H,17,18)(H,19,20)(H4,14,15,16)/t7-,8-,9-/m0/s1 N/A 3 Positive GNPS-NIST14-MATCHES 288.197 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C12H25N5O3 HYXQKVOADYPQEA-CIUDSAMLSA-N HYXQKVOADYPQEA Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00003138103 CCMSLIB00003135133 471 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.910355 2894000.0 0 0.0 7 0.0 231.17 1 temp/spectra_filtered.mgf471 1 Spectral Match to Leu-Val from NIST14 ESI qTof Isolated Data from Gabriel Haddad Data deposited by mjmeehan M+H 231.17 230.163 1 13588959 N/A CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)O)N InChI=1S/C11H22N2O3/c1-6(2)5-8(12)10(14)13-9(7(3)4)11(15)16/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16)/t8-,9-/m0/s1 N/A 3 Positive GNPS-NIST14-MATCHES 231.17 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C11H22N2O3 MDSUKZSLOATHMH-IUCAKERBSA-N MDSUKZSLOATHMH Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00003135133 CCMSLIB00003140066 1079 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.905079 11120000.0 0 2.75313 12 0.000793457 288.203 1 temp/spectra_filtered.mgf1079 1 Spectral Match to Arg-Ile from NIST14 ESI qTof Isolated Data from Julia Gauglitz Data deposited by fevargas M+H 288.202 287.196 1 N/A N/A CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CCCN=C(N)N)N InChI=1S/C12H25N5O3/c1-3-7(2)9(11(19)20)17-10(18)8(13)5-4-6-16-12(14)15/h7-9H,3-6,13H2,1-2H3,(H,17,18)(H,19,20)(H4,14,15,16)/t7-,8-,9-/m0/s1 N/A 3 Positive GNPS-NIST14-MATCHES 288.202 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C12H25N5O3 QYLJIYOGHRGUIH-CIUDSAMLSA-N QYLJIYOGHRGUIH Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00003140066 CCMSLIB00005884607 229 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.903358 1313000.0 0 4557.09 9 1.0031 221.121 1 temp/spectra_filtered.mgf229 1 D-PANTOTHENIC ACID - 40.0 eV ESI Orbitrap Isolated Madeleine Ernst Anna Abrahamsson M+H 220.118 0.0 1 137-08-6 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 1 Positive GNPS-LIBRARY 220.118 UPDATE-SINGLE-ANNOTATED-GOLD Gold C9H17NO5 GHOKWGTUZJEAQD-UHFFFAOYSA-N GHOKWGTUZJEAQD Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005884607 CCMSLIB00003134720 1209 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.90238 4816000.0 0 0.667812 11 0.000183105 274.187 1 temp/spectra_filtered.mgf1209 1 Spectral Match to Val-Arg from NIST14 ESI Q-TOF Isolated Data from Pieter Dorrestein Data deposited by lfnothias M+H 274.187 0.0 1 N/A N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 274.187 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:CCMSLIB00003134720 CCMSLIB00000217066 1362 spectra_filtered.mgf MASSBANK.mgf 0.895637 4260000.0 0 687.625 6 0.149902 218.15 1 temp/spectra_filtered.mgf1362 1 Massbank:KO002289 b-Ala-Lys|beta-Alanyl-L-lysine|beta-Ala-Lys ESI LC-ESI-QQ Isolated Putative Massbank Match Massbank [M+H]+ 218.0 0.0 1 N/A N/A NCCCC[C@@H](C(O)=O)NC(=O)CCN 1S/C9H19N3O3/c10-5-2-1-3-7(9(14)15)12-8(13)4-6-11/h7H,1-6,10-11H2,(H,12,13)(H,14,15)/t7-/m0/s1 N/A 3 Positive MASSBANK 218.0 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C9H19N3O3 PLDCWKCPEXNWJH-ZETCQYMHSA-N PLDCWKCPEXNWJH Organic acids and derivatives Peptidomimetics Hybrid peptides Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000217066 CCMSLIB00010130992 904 spectra_filtered.mgf MCE-DRUG.mgf 0.89355 1438000.0 0 3.23265 8 0.000701904 217.129 1 temp/spectra_filtered.mgf904 1 N-Acetyl-L-arginine ESI Orbitrap Crude Tomas Pluskal Corinna Brungs M+H 217.13 216.122 1 N/A N/A CC(=O)N[C@@H](CCCN=C(N)N)C(=O)O """InChI=1S/C8H16N4O3/c1-5(13)12-6(7(14)15)3-2-4-11-8(9)10/h6H,2-4H2,1H3,(H,12,13)(H,14,15)(H4,9,10,11)/t6-/m0/s1""" SNEIUMQYRCDYCH-LURJTMIESA-N 3 Positive MCE-DRUG 217.13 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C8H16N4O3 SNEIUMQYRCDYCH-LURJTMIESA-N SNEIUMQYRCDYCH Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00010130992 CCMSLIB00003139461 1016 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.892583 921000.0 0 0.0 12 0.0 322.187 1 temp/spectra_filtered.mgf1016 1 Spectral Match to Arg-Phe from NIST14 ESI qTof Isolated Data from Pieter Dorrestein Data deposited by lfnothias M+H 322.187 321.18 1 N/A N/A C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)[C@H](CCCN=C(N)N)N InChI=1S/C15H23N5O3/c16-11(7-4-8-19-15(17)18)13(21)20-12(14(22)23)9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,16H2,(H,20,21)(H,22,23)(H4,17,18,19)/t11-,12-/m0/s1 N/A 3 Positive GNPS-NIST14-MATCHES 322.187 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C15H23N5O3 PQBHGSGQZSOLIR-RYUDHWBXSA-N PQBHGSGQZSOLIR Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00003139461 CCMSLIB00005739084 103 spectra_filtered.mgf MASSBANK.mgf 0.892528 1845000.0 0 0.433603 7 9.15527e-05 211.144 1 temp/spectra_filtered.mgf103 1 Massbank:PR311142 Cyclo(leucylprolyl) ESI qTof Isolated Massbank Massbank M+H 211.144 0.0 1 N/A N/A O=C1NC(C(=O)N2CCCC12)CC(C)C 1S/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14) N/A 3 Positive MASSBANK 211.144 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C11H18N2O2 SZJNCZMRZAUNQT-UHFFFAOYSA-N SZJNCZMRZAUNQT Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005739084 CCMSLIB00011434806 1195 spectra_filtered.mgf ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf 0.891276 1717000.0 0 4058.12 6 0.994995 246.181 1 temp/spectra_filtered.mgf1195 1 Lys-C6:0 ESI Orbitrap Commercial Dorrestein Ipsita M+H 245.186 244.179 1 N/A N/A CCCCCC(NC(CCCCN)C(O)=O)=O InChI=1S/C12H24N2O3/c1-2-3-4-8-11(15)14-10(12(16)17)7-5-6-9-13/h10H,2-9,13H2,1H3,(H,14,15)(H,16,17) N/A 1 Positive ECG-ACYL-AMIDES-C4-C24-LIBRARY 245.186 UPDATE-SINGLE-ANNOTATED-GOLD Gold C12H24N2O3 DEAFEFSHUVGNFC-UHFFFAOYSA-N DEAFEFSHUVGNFC Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Fatty amides|Small peptides Dipeptides|N-acyl amines Amino acids and Peptides|Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00011434806 CCMSLIB00003134720 1208 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.889444 2559000.0 0 3660.95 10 1.00378 275.191 1 temp/spectra_filtered.mgf1208 1 Spectral Match to Val-Arg from NIST14 ESI Q-TOF Isolated Data from Pieter Dorrestein Data deposited by lfnothias M+H 274.187 0.0 1 N/A N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 274.187 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:CCMSLIB00003134720 CCMSLIB00003140066 1030 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.887152 3505000.0 0 3485.78 12 1.00461 289.207 1 temp/spectra_filtered.mgf1030 1 Spectral Match to Arg-Ile from NIST14 ESI qTof Isolated Data from Julia Gauglitz Data deposited by fevargas M+H 288.202 287.196 1 N/A N/A CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CCCN=C(N)N)N InChI=1S/C12H25N5O3/c1-3-7(2)9(11(19)20)17-10(18)8(13)5-4-6-16-12(14)15/h7-9H,3-6,13H2,1-2H3,(H,17,18)(H,19,20)(H4,14,15,16)/t7-,8-,9-/m0/s1 N/A 3 Positive GNPS-NIST14-MATCHES 288.202 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C12H25N5O3 QYLJIYOGHRGUIH-CIUDSAMLSA-N QYLJIYOGHRGUIH Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00003140066 CCMSLIB00000005338 695 spectra_filtered.mgf GNPS-SELLECKCHEM-FDA-PART1.mgf 0.883025 3330000.0 0 8300.59 6 1.90959 228.145 1 temp/spectra_filtered.mgf695 1 AmilorideHCl LC-ESI qTof Isolated Sirenas Ed Esquenazi M+H 230.055 229.048 1 N/A N/A C1(=C(N=C(C(=N1)Cl)N)N)C(=O)N=C(N)N InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15) N/A 3 Positive GNPS-SELLECKCHEM-FDA-PART1 230.055 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C6H8ClN7O XSDQTOBWRPYKKA-UHFFFAOYSA-N XSDQTOBWRPYKKA Organoheterocyclic compounds Diazines Pyrazines mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000005338 CCMSLIB00010010618 1023 spectra_filtered.mgf ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf 0.880457 2133000.0 0 3915.05 7 0.99501 255.145 1 temp/spectra_filtered.mgf1023 1 His-C6:0 ESI qTof Crude Dorrestein Emily Gentry M+H 254.15 253.143 1 N/A N/A CCCCCC(NC(CC1=NC=CN1)C(O)=O)=O InChI=1S/C12H19N3O3/c1-2-3-4-5-11(16)15-9(12(17)18)8-10-13-6-7-14-10/h6-7,9H,2-5,8H2,1H3,(H,13,14)(H,15,16)(H,17,18) N/A 2 Positive ECG-ACYL-AMIDES-C4-C24-LIBRARY 254.15 UPDATE-SINGLE-ANNOTATED-SILVER Silver C12H19N3O3 IVSBEXUIJYAGSK-UHFFFAOYSA-N IVSBEXUIJYAGSK Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00010010618 CCMSLIB00006679237 606 spectra_filtered.mgf MONA.mgf 0.87726 79500000.0 0 0.0 6 0.0 153.077 1 temp/spectra_filtered.mgf606 1 IS_METHIONINE-METHYL-D3 ESI Orbitrap isolated MoNA MoNA:MoNA038900 M+H 153.077 0.0 1 N/A N/A CSCC[C@@H](C(=O)O)N """InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1""" N/A 3 positive MONA 153.077 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C5H11NO2S FFEARJCKVFRZRR-BYPYZUCNSA-N FFEARJCKVFRZRR Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Aminoacids Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006679237 CCMSLIB00000005338 691 spectra_filtered.mgf GNPS-SELLECKCHEM-FDA-PART1.mgf 0.876173 900000.0 0 8301.05 6 1.9097 228.145 1 temp/spectra_filtered.mgf691 1 AmilorideHCl LC-ESI qTof Isolated Sirenas Ed Esquenazi M+H 230.055 229.048 1 N/A N/A C1(=C(N=C(C(=N1)Cl)N)N)C(=O)N=C(N)N InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15) N/A 3 Positive GNPS-SELLECKCHEM-FDA-PART1 230.055 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C6H8ClN7O XSDQTOBWRPYKKA-UHFFFAOYSA-N XSDQTOBWRPYKKA Organoheterocyclic compounds Diazines Pyrazines mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000005338 CCMSLIB00011434721 1345 spectra_filtered.mgf ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf 0.87555 4333000.0 0 8151.0 9 1.99831 247.159 1 temp/spectra_filtered.mgf1345 1 Arg-C4:0 ESI Orbitrap Commercial Dorrestein Ipsita M+H 245.161 244.154 1 N/A N/A CCCC(NC(C(O)=O)CCCNC(N)=N)=O InChI=1S/C10H20N4O3/c1-2-4-8(15)14-7(9(16)17)5-3-6-13-10(11)12/h7H,2-6H2,1H3,(H,14,15)(H,16,17)(H4,11,12,13) N/A 1 Positive ECG-ACYL-AMIDES-C4-C24-LIBRARY 245.161 UPDATE-SINGLE-ANNOTATED-GOLD Gold C10H20N4O3 XHXFSMZBXZZZIT-UHFFFAOYSA-N XHXFSMZBXZZZIT Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00011434721 CCMSLIB00003139726 1051 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.865138 2949000.0 0 5.55562 7 0.00149536 269.16 1 temp/spectra_filtered.mgf1051 1 Spectral Match to Leu-His from NIST14 ESI qTof Isolated Data from Gabriel Haddad Data deposited by mjmeehan M+H 269.162 268.154 1 N/A N/A CC(C)C[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)O)N InChI=1S/C12H20N4O3/c1-7(2)3-9(13)11(17)16-10(12(18)19)4-8-5-14-6-15-8/h5-7,9-10H,3-4,13H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)/t9-,10-/m0/s1 N/A 3 Positive GNPS-NIST14-MATCHES 269.162 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C12H20N4O3 XWOBNBRUDDUEEY-UWVGGRQHSA-N XWOBNBRUDDUEEY Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00003139726 CCMSLIB00011434721 1342 spectra_filtered.mgf ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf 0.863632 8064000.0 0 4058.16 9 0.994904 246.156 1 temp/spectra_filtered.mgf1342 1 Arg-C4:0 ESI Orbitrap Commercial Dorrestein Ipsita M+H 245.161 244.154 1 N/A N/A CCCC(NC(C(O)=O)CCCNC(N)=N)=O InChI=1S/C10H20N4O3/c1-2-4-8(15)14-7(9(16)17)5-3-6-13-10(11)12/h7H,2-6H2,1H3,(H,14,15)(H,16,17)(H4,11,12,13) N/A 1 Positive ECG-ACYL-AMIDES-C4-C24-LIBRARY 245.161 UPDATE-SINGLE-ANNOTATED-GOLD Gold C10H20N4O3 XHXFSMZBXZZZIT-UHFFFAOYSA-N XHXFSMZBXZZZIT Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00011434721 CCMSLIB00003135507 1134 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.862779 876000.0 0 1.17286 6 0.000305176 260.197 1 temp/spectra_filtered.mgf1134 1 Spectral Match to Lys-Ile from NIST14 ESI qTof Isolated Data from Gabriel Haddad Data deposited by mjmeehan M+H 260.197 259.19 1 N/A N/A CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CCCCN)N InChI=1S/C12H25N3O3/c1-3-8(2)10(12(17)18)15-11(16)9(14)6-4-5-7-13/h8-10H,3-7,13-14H2,1-2H3,(H,15,16)(H,17,18)/t8-,9-,10-/m0/s1 N/A 3 Positive GNPS-NIST14-MATCHES 260.197 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C12H25N3O3 FMIIKPHLJKUXGE-GUBZILKMSA-N FMIIKPHLJKUXGE Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00003135507 CCMSLIB00004706026 5 spectra_filtered.mgf MONA.mgf 0.858367 10832000.0 0 2802.43 15 1.8645 663.453 1 temp/spectra_filtered.mgf5 1 Sarmentoside B N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF014963 [M+H]+ 665.317 0.0 1 N/A N/A COC1C(O)C(O[C@H]2CC[C@]3(C=O)C4C(CC[C@]3(O)C2)[C@@]2(O)CC[C@H](C3=CC(=O)OC3)[C@@]2(C)C[C@H]4OC(C)=O)OC(C)C1OC(C)=O InChI=1S/C34H48O13/c1-17-28(46-19(3)37)29(42-5)27(39)30(44-17)47-21-6-9-32(16-35)26-23(7-10-33(32,40)13-21)34(41)11-8-22(20-12-25(38)43-15-20)31(34,4)14-24(26)45-18(2)36/h12,16-17,21-24,26-30,39-41H,6-11,13-15H2,1-5H3/t17?,21-,22+,23?,24+,26?,27?,28?,29?,30?,31+,32-,33-,34-/m0/s1 N/A 3 positive MONA 665.317 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C34H48O13 JJSVXWKQLGHFES-QGZYWIHFSA-N JJSVXWKQLGHFES Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones Steroids Cardenolides Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004706026 CCMSLIB00010106860 84 spectra_filtered.mgf BERKELEY-LAB.mgf 0.856432 2244000.0 0 4332.11 8 0.9841 226.18 1 temp/spectra_filtered.mgf84 1 2-heptylhexanedioic acid CollisionEnergy:102040 LC-ESI Orbitrap Commercial Trent Northen JGI M+H-H2O 227.164 0.0 1 N/A N/A CCCCCCCC(CCCC(=O)O)C(=O)O """InChI=1S/C13H24O4/c1-2-3-4-5-6-8-11(13(16)17)9-7-10-12(14)15/h11H,2-10H2,1H3,(H,14,15)(H,16,17)""" N/A 3 Positive BERKELEY-LAB 227.164 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C13H24O4 BXXCVHNCCFZMSE-UHFFFAOYSA-N BXXCVHNCCFZMSE Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Fatty Acids and Conjugates Dicarboxylic acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00010106860 CCMSLIB00006674927 1033 spectra_filtered.mgf GNPS-NUTRI-METAB-FEM-POS.mgf 0.853459 1385000.0 0 2.66378 6 0.000610352 229.129 1 temp/spectra_filtered.mgf1033 1 MGH2_methylglyoxal-derived hydroimidazolone 2 ESI Orbitrap Commercial Ulaszewska Marynka Ulaszewska M+H 229.13 228.122 1 1232154-60-7 CC1N=C(NCCC[C@H](N)C(=O)O)NC1=O InChI=1S/C9H16N4O3/c1-5-7(14)13-9(12-5)11-4-2-3-6(10)8(15)16/h5-6H,2-4,10H2,1H3,(H,15,16)(H2,11,12,13,14)/t5?,6-/m0/s1 N/A 1 Positive GNPS-NUTRI-METAB-FEM-POS 229.13 UPDATE-SINGLE-ANNOTATED-GOLD Gold C9H16N4O3 KGQMQNPFMOBJCY-GDVGLLTNSA-N KGQMQNPFMOBJCY Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Aminoacids Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006674927 CCMSLIB00012361157 1164 spectra_filtered.mgf MSNLIB-POSITIVE.mgf 0.848699 1150000.0 0 3.20361 6 0.000701904 219.097 1 temp/spectra_filtered.mgf1164 1 5875-41-2 ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M+H]+ 219.098 218.09 1 N/A N/A C[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O InChI=1S/C8H14N2O5/c1-4(7(12)13)10-6(11)3-2-5(9)8(14)15/h4-5H,2-3,9H2,1H3,(H,10,11)(H,12,13)(H,14,15)/t4-,5-/m0/s1 WQXXXVRAFAKQJM-WHFBIAKZSA-N 1 Positive MSNLIB-POSITIVE 219.098 UPDATE-SINGLE-ANNOTATED-GOLD Gold C8H14N2O5 WQXXXVRAFAKQJM-WHFBIAKZSA-N WQXXXVRAFAKQJM Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012361157 CCMSLIB00003134493 1102 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.844317 1885000.0 0 2462.46 10 0.884674 360.15 1 temp/spectra_filtered.mgf1102 1 Spectral Match to Leu-Val-Lys from NIST14 ESI Q-TOF Isolated Data from Chris Turck Data deposited by fevargas M+H 359.265 0.0 1 N/A N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 359.265 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:CCMSLIB00003134493 CCMSLIB00003134741 1374 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.841451 3206000.0 0 0.0 8 0.0 277.139 1 temp/spectra_filtered.mgf1374 1 Spectral Match to L-Saccharopine from NIST14 ESI Q-TOF Isolated Data from Rob Knight Data deposited by amelnik M+H 277.139 0.0 1 997682 N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 277.139 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:CCMSLIB00003134741 CCMSLIB00003134493 1107 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.840939 1483000.0 0 0.339778 9 0.00012207 359.265 1 temp/spectra_filtered.mgf1107 1 Spectral Match to Leu-Val-Lys from NIST14 ESI Q-TOF Isolated Data from Chris Turck Data deposited by fevargas M+H 359.265 0.0 1 N/A N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 359.265 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:CCMSLIB00003134493 CCMSLIB00011434881 980 spectra_filtered.mgf ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf 0.830881 1401000.0 0 3681.35 10 1.05731 286.151 1 temp/spectra_filtered.mgf980 1 Arg-C7:0 ESI Orbitrap Commercial Dorrestein Ipsita M+H 287.208 286.2 1 N/A N/A CCCCCCC(NC(C(O)=O)CCCNC(N)=N)=O InChI=1S/C13H26N4O3/c1-2-3-4-5-8-11(18)17-10(12(19)20)7-6-9-16-13(14)15/h10H,2-9H2,1H3,(H,17,18)(H,19,20)(H4,14,15,16) N/A 1 Positive ECG-ACYL-AMIDES-C4-C24-LIBRARY 287.208 UPDATE-SINGLE-ANNOTATED-GOLD Gold C13H26N4O3 YPCASTMKDJIXPW-UHFFFAOYSA-N YPCASTMKDJIXPW Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00011434881 CCMSLIB00003135481 1355 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.830524 5949000.0 0 7220.16 10 1.97968 276.167 1 temp/spectra_filtered.mgf1355 1 Spectral Match to Val-Arg from NIST14 ESI qTof Isolated Data from Pieter Dorrestein Data deposited by lfnothias M+H 274.187 273.18 1 N/A N/A CC(C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)N InChI=1S/C11H23N5O3/c1-6(2)8(12)9(17)16-7(10(18)19)4-3-5-15-11(13)14/h6-8H,3-5,12H2,1-2H3,(H,16,17)(H,18,19)(H4,13,14,15)/t7-,8-/m0/s1 N/A 3 Positive GNPS-NIST14-MATCHES 274.187 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C11H23N5O3 IBIDRSSEHFLGSD-YUMQZZPRSA-N IBIDRSSEHFLGSD Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00003135481 CCMSLIB00005464472 1415 spectra_filtered.mgf GNPS-MSMLS.mgf 0.826619 37255000.0 0 8280.21 7 1.99579 243.027 1 temp/spectra_filtered.mgf1415 1 CYSTINE ESI Orbitrap Commercial Dorrestein Kelly Weldon M+H 241.031 240.024 1 56-89-3 N/A N[C@@H](CSSC[C@H](N)C(O)=O)C(O)=O """InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1""" N/A 1 Positive GNPS-MSMLS 241.031 UPDATE-SINGLE-ANNOTATED-GOLD Gold C6H12N2O4S2 LEVWYRKDKASIDU-IMJSIDKUSA-N LEVWYRKDKASIDU Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Aminoacids Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005464472 CCMSLIB00012991969 127 spectra_filtered.mgf MSNLIB-POSITIVE.mgf 0.825506 138000.0 0 6033.78 6 1.02029 170.117 1 temp/spectra_filtered.mgf127 1 1,5-diethyl-1H-pyrazole-4-carboxylic acid ESI Orbitrap Commercial Tomas Pluskal Corinna Brungs [M+H]+ 169.097 168.09 1 N/A N/A CCc1c(C(=O)O)cnn1CC InChI=1S/C8H12N2O2/c1-3-7-6(8(11)12)5-9-10(7)4-2/h5H,3-4H2,1-2H3,(H,11,12) LFUBLXXJJYZGNK-UHFFFAOYSA-N 1 Positive MSNLIB-POSITIVE 169.097 UPDATE-SINGLE-ANNOTATED-GOLD Gold C8H12N2O2 LFUBLXXJJYZGNK-UHFFFAOYSA-N LFUBLXXJJYZGNK N/A N/A N/A Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012991969 CCMSLIB00012307769 686 spectra_filtered.mgf MSNLIB-POSITIVE.mgf 0.824539 1478000.0 0 2898.15 6 0.930603 320.171 1 temp/spectra_filtered.mgf686 1 Eniporide ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M+H]+ 321.102 320.094 1 N/A N/A Cc1cc(-n2cccc2)c(S(C)(=O)=O)cc1C(=O)N=C(N)N InChI=1S/C14H16N4O3S/c1-9-7-11(18-5-3-4-6-18)12(22(2,20)21)8-10(9)13(19)17-14(15)16/h3-8H,1-2H3,(H4,15,16,17,19) UADMBZFZZOBWBB-UHFFFAOYSA-N 1 Positive MSNLIB-POSITIVE 321.102 UPDATE-SINGLE-ANNOTATED-GOLD Gold C14H16N4O3S UADMBZFZZOBWBB-UHFFFAOYSA-N UADMBZFZZOBWBB Organoheterocyclic compounds Pyrroles Substituted pyrroles Alkaloids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012307769 CCMSLIB00006122305 348 spectra_filtered.mgf BIRMINGHAM-UHPLC-MS-POS.mgf 0.823328 596000.0 0 6002.2 6 0.984589 163.053 1 temp/spectra_filtered.mgf348 1 N-Acetyl-L-cysteine - 40.0 eV ESI Orbitrap Isolated PI Data Collector M+H 164.038 0.0 1 N/A CC(=O)N[C@@H](CS)C(=O)O InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1 N/A 1 Positive BIRMINGHAM-UHPLC-MS-POS 164.038 UPDATE-SINGLE-ANNOTATED-GOLD Gold C5H9NO3S PWKSKIMOESPYIA-BYPYZUCNSA-N PWKSKIMOESPYIA Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006122305 CCMSLIB00011434796 1175 spectra_filtered.mgf ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf 0.822437 4652000.0 0 3642.89 10 0.995209 274.187 1 temp/spectra_filtered.mgf1175 1 Arg-C6:0 ESI Orbitrap Commercial Dorrestein Ipsita M+H 273.192 272.185 1 N/A N/A CCCCCC(NC(C(O)=O)CCCNC(N)=N)=O InChI=1S/C12H24N4O3/c1-2-3-4-7-10(17)16-9(11(18)19)6-5-8-15-12(13)14/h9H,2-8H2,1H3,(H,16,17)(H,18,19)(H4,13,14,15) N/A 1 Positive ECG-ACYL-AMIDES-C4-C24-LIBRARY 273.192 UPDATE-SINGLE-ANNOTATED-GOLD Gold C12H24N4O3 PSJWLBCIYJBZIA-UHFFFAOYSA-N PSJWLBCIYJBZIA Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00011434796 CCMSLIB00006122292 591 spectra_filtered.mgf BIRMINGHAM-UHPLC-MS-POS.mgf 0.821138 26750000.0 0 5996.19 7 0.983597 163.053 1 temp/spectra_filtered.mgf591 1 N-Acetyl-L-cysteine - 40.0 eV ESI Orbitrap Isolated PI Data Collector M+H 164.037 0.0 1 N/A CC(=O)N[C@@H](CS)C(=O)O InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1 N/A 1 Positive BIRMINGHAM-UHPLC-MS-POS 164.037 UPDATE-SINGLE-ANNOTATED-GOLD Gold C5H9NO3S PWKSKIMOESPYIA-BYPYZUCNSA-N PWKSKIMOESPYIA Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006122292 CCMSLIB00010010638 1457 spectra_filtered.mgf ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf 0.816254 6509000.0 0 7151.75 6 1.95398 275.171 1 temp/spectra_filtered.mgf1457 1 Lys-C8:0 ESI qTof Crude Dorrestein Emily Gentry M+H 273.217 272.21 1 N/A N/A CCCCCCCC(NC(CCCCN)C(O)=O)=O InChI=1S/C14H28N2O3/c1-2-3-4-5-6-10-13(17)16-12(14(18)19)9-7-8-11-15/h12H,2-11,15H2,1H3,(H,16,17)(H,18,19) N/A 2 Positive ECG-ACYL-AMIDES-C4-C24-LIBRARY 273.217 UPDATE-SINGLE-ANNOTATED-SILVER Silver C14H28N2O3 GGCVGFFRMZLQBP-UHFFFAOYSA-N GGCVGFFRMZLQBP Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Fatty amides|Small peptides Dipeptides|N-acyl amines Amino acids and Peptides|Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00010010638 CCMSLIB00003134966 938 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.813114 1267000.0 0 1716.43 6 0.983765 574.129 1 temp/spectra_filtered.mgf938 1 Spectral Match to Adenylyl(3'-5')cytidine from NIST14 ESI qTof Isolated Data from Chris Turck Data deposited by fevargas M+H 573.145 572.138 1 2382663 N/A C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O InChI=1S/C19H25N8O11P/c20-9-1-2-26(19(32)25-9)18-13(31)14(7(3-28)36-18)38-39(33,34)35-4-8-11(29)12(30)17(37-8)27-6-24-10-15(21)22-5-23-16(10)27/h1-2,5-8,11-14,17-18,28-31H,3-4H2,(H,33,34)(H2,20,25,32)(H2,21,22,23)/t7-,8-,11-,12-,13-,14-,17+,18-/m1/s1 N/A 3 Positive GNPS-NIST14-MATCHES 573.145 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C19H25N8O11P ZLVJWOGZEAIPAO-NJMNKXSSSA-N ZLVJWOGZEAIPAO Nucleosides, nucleotides, and analogues (3'->5')-dinucleotides and analogues (3'->5')-dinucleotides Nucleosides Purine nucleos(t)ides|Pyrimidine nucleos(t)ides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00003134966 CCMSLIB00012307935 1426 spectra_filtered.mgf MSNLIB-POSITIVE.mgf 0.8086 2533000.0 0 121.38 10 0.0368042 303.177 1 temp/spectra_filtered.mgf1426 1 Arg-Lys ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M+H]+ 303.214 302.207 1 N/A N/A NCCCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)O InChI=1S/C12H26N6O3/c13-6-2-1-5-9(11(20)21)18-10(19)8(14)4-3-7-17-12(15)16/h8-9H,1-7,13-14H2,(H,18,19)(H,20,21)(H4,15,16,17)/t8-,9-/m0/s1 JQFZHHSQMKZLRU-IUCAKERBSA-N 1 Positive MSNLIB-POSITIVE 303.214 UPDATE-SINGLE-ANNOTATED-GOLD Gold C12H26N6O3 JQFZHHSQMKZLRU-IUCAKERBSA-N JQFZHHSQMKZLRU Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012307935 CCMSLIB00003140066 1487 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.806503 2254000.0 0 3329.59 9 0.959595 289.162 1 temp/spectra_filtered.mgf1487 1 Spectral Match to Arg-Ile from NIST14 ESI qTof Isolated Data from Julia Gauglitz Data deposited by fevargas M+H 288.202 287.196 1 N/A N/A CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CCCN=C(N)N)N InChI=1S/C12H25N5O3/c1-3-7(2)9(11(19)20)17-10(18)8(13)5-4-6-16-12(14)15/h7-9H,3-6,13H2,1-2H3,(H,17,18)(H,19,20)(H4,14,15,16)/t7-,8-,9-/m0/s1 N/A 3 Positive GNPS-NIST14-MATCHES 288.202 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C12H25N5O3 QYLJIYOGHRGUIH-CIUDSAMLSA-N QYLJIYOGHRGUIH Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00003140066 CCMSLIB00006122303 1324 spectra_filtered.mgf BIRMINGHAM-UHPLC-MS-POS.mgf 0.795087 1430000.0 0 5996.84 6 0.983704 163.053 1 temp/spectra_filtered.mgf1324 1 N-Acetyl-L-cysteine - 40.0 eV ESI Orbitrap Isolated PI Data Collector M+H 164.037 0.0 1 N/A CC(=O)N[C@@H](CS)C(=O)O InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1 N/A 1 Positive BIRMINGHAM-UHPLC-MS-POS 164.037 UPDATE-SINGLE-ANNOTATED-GOLD Gold C5H9NO3S PWKSKIMOESPYIA-BYPYZUCNSA-N PWKSKIMOESPYIA Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006122303 CCMSLIB00006122285 1348 spectra_filtered.mgf BIRMINGHAM-UHPLC-MS-POS.mgf 0.791626 1779000.0 0 6001.64 6 0.984497 163.053 1 temp/spectra_filtered.mgf1348 1 N-Acetyl-L-cysteine - 40.0 eV ESI Orbitrap Isolated PI Data Collector M+H 164.038 0.0 1 N/A CC(=O)N[C@@H](CS)C(=O)O InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1 N/A 1 Positive BIRMINGHAM-UHPLC-MS-POS 164.038 UPDATE-SINGLE-ANNOTATED-GOLD Gold C5H9NO3S PWKSKIMOESPYIA-BYPYZUCNSA-N PWKSKIMOESPYIA Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006122285 CCMSLIB00000425893 1485 spectra_filtered.mgf HMDB.mgf 0.789694 5392000.0 0 3755.27 8 0.984406 261.156 1 temp/spectra_filtered.mgf1485 1 HMDB:HMDB04987-2424 Alpha-Aspartyl-lysine Positive Quattro_QQQ:10eV Isolated HMDB HMDB M+H 262.14 261.132 1 5891-51-0 N/A NCCCC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(O)=O InChI=1S/C10H19N3O5/c11-4-2-1-3-7(10(17)18)13-9(16)6(12)5-8(14)15/h6-7H,1-5,11-12H2,(H,13,16)(H,14,15)(H,17,18)/t6-,7-/m0/s1 N/A 3 Positive HMDB 262.14 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C10H19N3O5 OAMLVOVXNKILLQ-BQBZGAKWSA-N OAMLVOVXNKILLQ Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000425893 CCMSLIB00000078059 38 spectra_filtered.mgf GNPS-SELLECKCHEM-FDA-PART2.mgf 0.785116 34726000.0 0 2023.83 6 0.854401 421.317 1 temp/spectra_filtered.mgf38 1 Topotecan HCl LC-ESI qTof Commercial Dorrestein Garg_Neha [M+H] 422.171 421.164 1 119413-54-6 N/A C1(C=CC2C(C=1CN(C)C)=CC3=C(N=2)C4N(C3)C(C5=C(C=4)[C@](C(OC5)=O)(CC)O)=O)O.Cl InChI=1S/C23H23N3O5.ClH/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20;/h5-8,27,30H,4,9-11H2,1-3H3;1H/t23-;/m0./s1 N/A 1 Positive GNPS-SELLECKCHEM-FDA-PART2 422.171 UPDATE-SINGLE-ANNOTATED-GOLD Gold C23H24ClN3O5 DGHHQBMTXTWTJV-BQAIUKQQSA-N DGHHQBMTXTWTJV N/A N/A N/A Tryptophan alkaloids Pyrroloquinoline alkaloids Alkaloids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000078059 CCMSLIB00012307928 1378 spectra_filtered.mgf MSNLIB-POSITIVE.mgf 0.783495 2701000.0 0 3124.18 9 0.947296 304.161 1 temp/spectra_filtered.mgf1378 1 Arg-Lys ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M+H]+ 303.214 302.207 1 N/A N/A NCCCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)O InChI=1S/C12H26N6O3/c13-6-2-1-5-9(11(20)21)18-10(19)8(14)4-3-7-17-12(15)16/h8-9H,1-7,13-14H2,(H,18,19)(H,20,21)(H4,15,16,17)/t8-,9-/m0/s1 JQFZHHSQMKZLRU-IUCAKERBSA-N 1 Positive MSNLIB-POSITIVE 303.214 UPDATE-SINGLE-ANNOTATED-GOLD Gold C12H26N6O3 JQFZHHSQMKZLRU-IUCAKERBSA-N JQFZHHSQMKZLRU Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012307928 CCMSLIB00011434796 1256 spectra_filtered.mgf ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf 0.779449 341000.0 0 3735.83 7 1.0206 272.171 1 temp/spectra_filtered.mgf1256 1 Arg-C6:0 ESI Orbitrap Commercial Dorrestein Ipsita M+H 273.192 272.185 1 N/A N/A CCCCCC(NC(C(O)=O)CCCNC(N)=N)=O InChI=1S/C12H24N4O3/c1-2-3-4-7-10(17)16-9(11(18)19)6-5-8-15-12(13)14/h9H,2-8H2,1H3,(H,16,17)(H,18,19)(H4,13,14,15) N/A 1 Positive ECG-ACYL-AMIDES-C4-C24-LIBRARY 273.192 UPDATE-SINGLE-ANNOTATED-GOLD Gold C12H24N4O3 PSJWLBCIYJBZIA-UHFFFAOYSA-N PSJWLBCIYJBZIA Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00011434796 CCMSLIB00013639057 1252 spectra_filtered.mgf WINE-DB-ORBITRAP.mgf 0.778531 2343000.0 0 3832.05 7 0.947006 246.181 1 temp/spectra_filtered.mgf1252 1 Val-Glu ESI Orbitrap Commercial Axel_Marchal TE_MLS M+H 247.128 246.26 1 3062-07-5 N/A [C@H](NC([C@H](C(C)C)N)=O)(CCC(O)=O)C(O)=O InChI=1S/C10H18N2O5/c1-5(2)8(11)9(15)12-6(10(16)17)3-4-7(13)14/h5-6,8H,3-4,11H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)/t6-,8-/m0/s1 N/A 1 Positive WINE-DB-ORBITRAP 247.128 UPDATE-SINGLE-ANNOTATED-GOLD Gold C10H18N2O5 UPJONISHZRADBH-XPUUQOCRSA-N UPJONISHZRADBH Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00013639057 CCMSLIB00003138265 86 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.771839 584000.0 0 84.0978 8 0.019104 227.183 1 temp/spectra_filtered.mgf86 1 Spectral Match to 1,11-Undecanedicarboxylic acid from NIST14 ESI HCD Isolated Data from System Wide MS course Data deposited by daniel M+H-H2O 227.164 0.0 1 505522 N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 227.164 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:CCMSLIB00003138265 CCMSLIB00006122285 315 spectra_filtered.mgf BIRMINGHAM-UHPLC-MS-POS.mgf 0.771229 628000.0 0 6002.2 6 0.984589 163.053 1 temp/spectra_filtered.mgf315 1 N-Acetyl-L-cysteine - 40.0 eV ESI Orbitrap Isolated PI Data Collector M+H 164.038 0.0 1 N/A CC(=O)N[C@@H](CS)C(=O)O InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1 N/A 1 Positive BIRMINGHAM-UHPLC-MS-POS 164.038 UPDATE-SINGLE-ANNOTATED-GOLD Gold C5H9NO3S PWKSKIMOESPYIA-BYPYZUCNSA-N PWKSKIMOESPYIA Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006122285 CCMSLIB00006121569 1039 spectra_filtered.mgf BIRMINGHAM-UHPLC-MS-POS.mgf 0.770224 1489000.0 0 134.551 6 0.034729 258.145 1 temp/spectra_filtered.mgf1039 1 L-alpha-Glycerylphosphorylcholine - 40.0 eV ESI Orbitrap Isolated PI Data Collector M+H 258.11 0.0 1 N/A C[N+](C)(C)CCOP(=O)([O-])OC[C@@H](CO)O InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/t8-/m1/s1 N/A 1 Positive BIRMINGHAM-UHPLC-MS-POS 258.11 UPDATE-SINGLE-ANNOTATED-GOLD Gold N/A SUHOQUVVVLNYQR-MRVPVSSYSA-N SUHOQUVVVLNYQR Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines N/A N/A N/A mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006121569 CCMSLIB00005883686 1293 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.756889 2667000.0 0 7532.83 6 0.995102 133.097 1 temp/spectra_filtered.mgf1293 1 ISOLEUCINE - 60.0 eV ESI Orbitrap Isolated Madeleine Ernst Anna Abrahamsson M+H 132.102 0.0 1 73-32-5 N/A CC[C@H](C)[C@H](N)C(O)=O InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1 N/A 1 Positive GNPS-LIBRARY 132.102 UPDATE-SINGLE-ANNOTATED-GOLD Gold C6H13NO2 AGPKZVBTJJNPAG-WHFBIAKZSA-N AGPKZVBTJJNPAG Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Aminoacids Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005883686 CCMSLIB00003139614 1371 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.753412 2389000.0 0 8041.23 7 1.9796 248.161 1 temp/spectra_filtered.mgf1371 1 Spectral Match to Lys-Val from NIST14 ESI Q-TOF Isolated Data from Gabriel Haddad Data deposited by mjmeehan M+H 246.181 0.0 1 N/A N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 246.181 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:CCMSLIB00003139614 CCMSLIB00006114412 83 spectra_filtered.mgf BIRMINGHAM-UHPLC-MS-POS.mgf 0.746949 246000.0 0 4015.92 8 0.984604 244.19 1 temp/spectra_filtered.mgf83 1 Brassylic acid - 40.0 eV ESI Orbitrap Isolated PI Data Collector M+H 245.175 0.0 1 N/A C(CCCCCC(=O)O)CCCCCC(=O)O InChI=1S/C13H24O4/c14-12(15)10-8-6-4-2-1-3-5-7-9-11-13(16)17/h1-11H2,(H,14,15)(H,16,17) N/A 1 Positive BIRMINGHAM-UHPLC-MS-POS 245.175 UPDATE-SINGLE-ANNOTATED-GOLD Gold C13H24O4 DXNCZXXFRKPEPY-UHFFFAOYSA-N DXNCZXXFRKPEPY Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Fatty Acids and Conjugates Dicarboxylic acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006114412 CCMSLIB00006552073 573 spectra_filtered.mgf BMDMS-NP.mgf 0.736302 26294000.0 0 7158.41 6 1.96921 273.121 1 temp/spectra_filtered.mgf573 1 Phloretin ESI Orbitrap Commercial standard BMDMS-NP BMDMS-NP [M+H]+ 275.09 274.084 1 N/A N/A O=C(C=1C(O)=CC(O)=CC1O)CCC2=CC=C(O)C=C2 InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2 N/A 1 Positive BMDMS-NP 275.09 UPDATE-SINGLE-ANNOTATED-GOLD Gold C15H14O5 VGEREEWJJVICBM-UHFFFAOYSA-N VGEREEWJJVICBM Phenylpropanoids and polyketides Linear 1,3-diarylpropanoids Chalcones and dihydrochalcones Flavonoids Chalcones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006552073 CCMSLIB00003140072 1174 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.717519 1776000.0 0 7957.23 6 1.99811 249.108 1 temp/spectra_filtered.mgf1174 1 Spectral Match to Thr-Met from NIST14 ESI qTof Isolated Data from Julia Gauglitz Data deposited by fevargas M+H 251.106 250.099 1 90729285 N/A C[C@H]([C@@H](C(=O)N[C@@H](CCSC)C(=O)O)N)O InChI=1S/C9H18N2O4S/c1-5(12)7(10)8(13)11-6(9(14)15)3-4-16-2/h5-7,12H,3-4,10H2,1-2H3,(H,11,13)(H,14,15)/t5-,6+,7+/m1/s1 N/A 3 Positive GNPS-NIST14-MATCHES 251.106 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C9H18N2O4S APIDTRXFGYOLLH-VQVTYTSYSA-N APIDTRXFGYOLLH Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00003140072 CCMSLIB00012360719 1389 spectra_filtered.mgf MSNLIB-POSITIVE.mgf 0.714363 3353000.0 0 176.364 6 0.0359955 204.134 1 temp/spectra_filtered.mgf1389 1 Glycyl-l-glutamine ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M+H]+ 204.098 203.091 1 N/A N/A NCC(=O)N[C@@H](CCC(N)=O)C(=O)O InChI=1S/C7H13N3O4/c8-3-6(12)10-4(7(13)14)1-2-5(9)11/h4H,1-3,8H2,(H2,9,11)(H,10,12)(H,13,14)/t4-/m0/s1 PNMUAGGSDZXTHX-BYPYZUCNSA-N 1 Positive MSNLIB-POSITIVE 204.098 UPDATE-SINGLE-ANNOTATED-GOLD Gold C7H13N3O4 PNMUAGGSDZXTHX-BYPYZUCNSA-N PNMUAGGSDZXTHX Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012360719 CCMSLIB00003136252 678 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.703998 2046000.0 0 246.584 8 0.0559998 227.158 1 temp/spectra_filtered.mgf678 1 Spectral Match to PyroGlu-Pro from NIST14 ESI qTof Isolated Data from Pieter Dorrestein Data deposited by lfnothias M+H 227.102 226.095 1 N/A N/A C1CC(N(C1)C(=O)C2CCC(=O)N2)C(=O)O InChI=1S/C10H14N2O4/c13-8-4-3-6(11-8)9(14)12-5-1-2-7(12)10(15)16/h6-7H,1-5H2,(H,11,13)(H,15,16) N/A 3 Positive GNPS-NIST14-MATCHES 227.102 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C10H14N2O4 PFEJJYZYEFRQEA-UHFFFAOYSA-N PFEJJYZYEFRQEA Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00003136252 nf_output/GNPS-D2-AMINO-LIPID-LIBRARY.mgf.tsv0000644000000000000000000000000114777454540016731 0ustar rootroot nf_output/GNPS-COLLECTIONS-PESTICIDES-POSITIVE.mgf.tsv0000644000000000000000000000000114777454540020332 0ustar rootroot nf_output/MMV_NEGATIVE.mgf.tsv0000644000000000000000000000000114777454540015036 0ustar rootroot nf_output/GNPS-LIBRARY.mgf.tsv0000644000000000000000000000000114777454540014766 0ustar rootroot nf_output/RESPECT.mgf.tsv0000644000000000000000000000000114777454540014222 0ustar rootroot nf_output/BILELIB19.mgf.tsv0000644000000000000000000000000114777454540014331 0ustar rootroot nf_output/ELIXDB-LICHEN-DATABASE.mgf.tsv0000644000000000000000000000000114777454540016166 0ustar rootroot nf_output/GNPS-NIST14-MATCHES.mgf.tsv0000644000000000000000000000000114777454540015666 0ustar rootroot nf_output/MASSBANKEU.mgf.tsv0000644000000000000000000000000114777454540014546 0ustar rootroot nf_output/MSNLIB-NEGATIVE.mgf.tsv0000644000000000000000000000000114777454540015301 0ustar rootroot nf_output/GNPS-N-ACYL-LIPIDS-MASSQL.mgf.tsv0000644000000000000000000000000114777454540016565 0ustar rootroot nf_output/CASMI.mgf.tsv0000644000000000000000000000000114777454540013751 0ustar rootroot nf_output/MMV_POSITIVE.mgf.tsv0000644000000000000000000000000114777454540015076 0ustar rootroot nf_output/GNPS-SELLECKCHEM-FDA-PART2.mgf.tsv0000644000000000000000000000000114777454540016617 0ustar rootroot nf_output/clustering/0000755000000000000000000000000014777454545014004 5ustar rootrootnf_output/clustering/spectra_reformatted.mgf0000644000000000000000000075452614777454545020557 0ustar rootrootBEGIN IONS SCANS=1 PEPMASS=124.0867 CHARGE=1 COLLISION_ENERGY=0.0 42.0338 62000.0 83.0604 18000.0 123.0552 37000.0 123.0915 52000.0 124.0391 14000.0 124.0869 780000.0 125.0909 28000.0 END IONS BEGIN IONS SCANS=2 PEPMASS=709.5136 CHARGE=1 COLLISION_ENERGY=0.0 307.1097 15000.0 327.0779 120000.0 328.0803 29000.0 383.1405 300000.0 384.1435 100000.0 439.2029 560000.0 440.2064 260000.0 441.21 29000.0 495.2656 970000.0 496.2691 570000.0 497.2731 68000.0 551.3281 470000.0 552.3314 330000.0 552.442 11000.0 553.3339 38000.0 607.3906 290000.0 608.394 280000.0 609.3961 40000.0 663.4549 100000.0 664.4556 120000.0 665.458 23000.0 END IONS BEGIN IONS SCANS=3 PEPMASS=708.5103 CHARGE=1 COLLISION_ENERGY=0.0 147.1175 13000.0 251.0472 15000.0 307.1101 15000.0 327.0335 11000.0 327.078 140000.0 328.0805 15000.0 363.1712 12000.0 383.1405 420000.0 384.144 56000.0 439.203 890000.0 440.2065 140000.0 495.2656 1700000.0 496.2689 330000.0 551.3284 980000.0 552.3314 230000.0 607.3906 750000.0 608.3947 220000.0 663.4531 340000.0 664.4559 100000.0 END IONS BEGIN IONS SCANS=4 PEPMASS=680.4788 CHARGE=1 COLLISION_ENERGY=0.0 383.1391 10000.0 439.2023 23000.0 495.2653 40000.0 496.2702 13000.0 551.3271 25000.0 607.3926 18000.0 END IONS BEGIN IONS SCANS=5 PEPMASS=663.4525 CHARGE=1 COLLISION_ENERGY=0.0 91.0541 14000.0 147.1168 42000.0 251.0467 63000.0 307.1091 51000.0 327.0776 600000.0 328.0811 68000.0 363.1717 24000.0 383.1403 1200000.0 384.1437 180000.0 439.2029 1900000.0 440.2063 340000.0 495.2655 3100000.0 496.269 660000.0 551.3281 1500000.0 552.3314 370000.0 607.3905 560000.0 608.3942 160000.0 663.4529 73000.0 664.4566 28000.0 END IONS BEGIN IONS SCANS=6 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8 PEPMASS=124.0867 CHARGE=1 COLLISION_ENERGY=0.0 83.0602 11000.0 123.0551 53000.0 123.0915 61000.0 124.0401 16000.0 124.0869 610000.0 125.0909 24000.0 END IONS BEGIN IONS SCANS=9 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=12 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=13 PEPMASS=338.341 CHARGE=1 COLLISION_ENERGY=0.0 55.0542 52000.0 57.0698 130000.0 67.0543 31000.0 69.0699 130000.0 71.0855 82000.0 81.0698 74000.0 83.0854 170000.0 85.1011 45000.0 86.0599 31000.0 93.0696 34000.0 95.0855 100000.0 97.0649 37000.0 97.1011 170000.0 100.0756 63000.0 107.0858 40000.0 109.1011 72000.0 111.0803 44000.0 111.1166 91000.0 114.0912 56000.0 121.101 59000.0 123.1169 30000.0 125.0957 41000.0 125.1324 23000.0 128.1069 34000.0 135.1167 75000.0 137.1323 16000.0 139.1115 31000.0 142.1224 27000.0 149.1325 51000.0 153.1274 21000.0 156.1381 16000.0 163.1483 28000.0 167.1438 13000.0 170.1537 11000.0 177.164 19000.0 191.1789 13000.0 198.1849 10000.0 254.2477 11000.0 303.3047 58000.0 304.3063 11000.0 321.3149 61000.0 338.3419 180000.0 339.346 29000.0 END IONS BEGIN IONS SCANS=14 PEPMASS=228.1953 CHARGE=1 COLLISION_ENERGY=0.0 55.0542 35000.0 67.0542 51000.0 69.0698 39000.0 81.0698 90000.0 83.0855 80000.0 85.0648 12000.0 93.0699 24000.0 95.0855 220000.0 96.0888 13000.0 97.065 16000.0 97.1011 59000.0 105.0701 11000.0 107.0855 17000.0 109.1011 130000.0 111.0806 18000.0 119.0857 26000.0 121.1012 11000.0 123.1166 20000.0 133.1012 30000.0 135.117 11000.0 137.0954 18000.0 147.1164 17000.0 149.1321 13000.0 151.1478 17000.0 175.148 87000.0 193.1588 37000.0 210.1841 16000.0 211.1696 14000.0 END IONS BEGIN IONS SCANS=15 PEPMASS=431.3836 CHARGE=1 COLLISION_ENERGY=0.0 81.0698 20000.0 83.0856 12000.0 95.0854 23000.0 107.0853 10000.0 432.2307 18000.0 END IONS BEGIN IONS SCANS=16 PEPMASS=171.1488 CHARGE=1 COLLISION_ENERGY=0.0 46.0651 22000.0 72.0442 15000.0 89.0709 24000.0 171.1493 45000.0 END IONS BEGIN IONS SCANS=17 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=18 PEPMASS=392.2538 CHARGE=1 COLLISION_ENERGY=0.0 55.6346 12000.0 57.0698 3300000.0 58.0731 48000.0 63.111 25000.0 88.0737 13000.0 102.0912 110000.0 106.7284 13000.0 123.055 40000.0 124.0384 14000.0 126.0547 18000.0 178.0387 16000.0 181.0183 15000.0 207.1127 1200000.0 208.1165 66000.0 208.142 18000.0 209.1282 420000.0 210.1123 48000.0 218.1281 78000.0 219.1133 70000.0 224.1392 730000.0 225.1195 21000.0 225.145 67000.0 234.125 59000.0 274.1937 18000.0 275.1756 130000.0 290.1866 170000.0 291.1669 22000.0 291.2013 18000.0 292.1605 22000.0 292.202 640000.0 293.1859 1000000.0 302.1862 1500000.0 308.1967 4100000.0 309.1997 470000.0 318.1835 95000.0 343.2227 16000.0 358.2487 310000.0 374.2436 1800000.0 375.2469 280000.0 376.2595 31000000.0 391.2765 15000.0 392.2539 760000.0 393.257 110000.0 394.2696 120000.0 END IONS BEGIN IONS SCANS=19 PEPMASS=144.9818 CHARGE=1 COLLISION_ENERGY=0.0 62.929 22000.0 103.9556 24000.0 121.9661 330000.0 144.9821 53000.0 END IONS BEGIN IONS SCANS=20 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=21 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=22 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=23 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=24 PEPMASS=394.289 CHARGE=1 COLLISION_ENERGY=0.0 57.0699 1000000.0 81.1454 110000.0 81.6586 120000.0 106.7929 95000.0 161.6604 100000.0 209.1289 660000.0 275.1759 230000.0 292.2013 850000.0 293.1837 1300000.0 294.1901 490000.0 302.1861 2000000.0 303.1894 770000.0 308.1954 120000.0 309.1983 280000.0 358.2497 300000.0 359.2527 210000.0 375.2494 140000.0 376.2594 33000000.0 377.2627 17000000.0 378.2652 1900000.0 394.2691 310000.0 395.2721 130000.0 END IONS BEGIN IONS SCANS=25 PEPMASS=393.2856 CHARGE=1 COLLISION_ENERGY=0.0 57.0698 2800000.0 59.9988 99000.0 61.5599 87000.0 78.3098 110000.0 82.9206 97000.0 102.0914 130000.0 102.9843 130000.0 159.2303 110000.0 207.1125 540000.0 208.1166 110000.0 209.1284 1100000.0 210.1129 130000.0 218.1287 170000.0 224.1386 290000.0 275.1758 260000.0 292.2021 1200000.0 293.1857 2700000.0 294.1902 220000.0 302.1862 3800000.0 303.1899 440000.0 308.1967 2100000.0 309.199 530000.0 358.2486 740000.0 374.243 960000.0 375.2455 570000.0 376.2593 80000000.0 377.2628 11000000.0 377.3095 220000.0 392.2551 360000.0 393.2558 150000.0 394.2702 670000.0 395.2716 190000.0 END IONS BEGIN IONS SCANS=26 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=27 PEPMASS=377.2624 CHARGE=1 COLLISION_ENERGY=0.0 57.0698 12000000.0 58.0731 900000.0 58.0764 82000.0 63.1368 110000.0 70.8596 52000.0 84.0806 130000.0 102.091 120000.0 108.0441 94000.0 125.0708 690000.0 126.0549 980000.0 126.074 79000.0 127.0384 53000.0 127.0586 120000.0 135.0552 90000.0 174.091 55000.0 181.1436 52000.0 181.1611 85000.0 191.118 190000.0 192.1016 180000.0 208.1442 760000.0 209.1282 8300000.0 210.1117 820000.0 210.1319 1500000.0 211.1156 180000.0 218.1287 2200000.0 219.1123 1000000.0 219.133 430000.0 220.1146 240000.0 228.1119 110000.0 240.7002 52000.0 251.8508 56000.0 257.1644 72000.0 260.153 52000.0 274.1918 540000.0 275.1747 3500000.0 276.1783 1100000.0 277.1847 55000.0 291.1982 110000.0 292.2017 9700000.0 293.1826 9600000.0 294.1887 3500000.0 295.1942 260000.0 302.1861 19000000.0 303.1893 6500000.0 304.1918 400000.0 343.226 360000.0 344.2277 180000.0 348.2642 71000.0 358.2487 2400000.0 359.2524 1200000.0 376.2596 130000000.0 377.2626 66000000.0 378.2651 5500000.0 394.2694 540000.0 395.2762 230000.0 END IONS BEGIN IONS SCANS=28 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=29 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=30 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=31 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=32 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=33 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=34 PEPMASS=376.259 CHARGE=1 COLLISION_ENERGY=0.0 52.2616 440000.0 55.2401 420000.0 57.0698 17000000.0 87.0875 370000.0 125.0709 450000.0 126.0549 1200000.0 139.1772 370000.0 172.2729 410000.0 172.336 370000.0 205.3004 410000.0 208.1437 590000.0 209.128 11000000.0 210.1114 960000.0 213.3723 420000.0 216.7059 440000.0 218.1286 3000000.0 219.1126 1500000.0 274.1935 650000.0 275.1741 4800000.0 275.2079 440000.0 276.1783 690000.0 292.202 16000000.0 293.1847 16000000.0 294.1892 1500000.0 302.1862 29000000.0 303.1896 3300000.0 358.2484 4100000.0 359.2514 690000.0 376.2594 250000000.0 377.2627 37000000.0 394.2698 2200000.0 END IONS BEGIN IONS SCANS=35 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=36 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=37 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=38 PEPMASS=421.3166 CHARGE=1 COLLISION_ENERGY=0.0 54.8423 38000.0 57.0698 440000.0 67.3604 33000.0 80.3647 34000.0 202.0641 38000.0 209.1283 370000.0 210.1112 48000.0 218.1297 42000.0 219.1127 36000.0 275.1755 130000.0 292.2018 530000.0 293.1848 730000.0 294.1876 110000.0 302.186 1300000.0 303.1898 190000.0 310.4553 39000.0 358.2491 220000.0 359.2534 40000.0 376.2592 26000000.0 377.2626 4200000.0 381.0991 37000.0 394.2701 160000.0 404.2905 110000.0 421.3176 220000.0 422.3147 35000.0 END IONS BEGIN IONS SCANS=39 PEPMASS=88.0755 CHARGE=1 COLLISION_ENERGY=0.0 43.0179 22000.0 46.0651 160000.0 70.0651 21000.0 88.0214 12000.0 88.0757 1300000.0 89.079 21000.0 END IONS BEGIN IONS SCANS=40 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=41 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=42 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=43 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=44 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=45 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=46 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=47 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=48 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=49 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=50 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=51 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=52 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=53 PEPMASS=124.0867 CHARGE=1 COLLISION_ENERGY=0.0 123.0552 63000.0 123.0915 62000.0 124.0402 19000.0 124.0868 580000.0 125.0908 18000.0 END IONS BEGIN IONS SCANS=54 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=55 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=56 PEPMASS=377.2624 CHARGE=1 COLLISION_ENERGY=0.0 57.0699 2100000.0 58.0731 150000.0 84.0808 19000.0 102.0911 17000.0 108.0442 15000.0 125.0708 130000.0 126.0549 190000.0 126.0743 15000.0 127.0585 21000.0 191.1182 41000.0 192.1018 11000.0 208.1443 160000.0 209.1282 1200000.0 210.1116 110000.0 210.132 240000.0 211.1135 25000.0 211.1356 13000.0 218.1287 430000.0 219.1125 140000.0 219.1329 82000.0 220.1153 44000.0 228.1123 16000.0 260.1508 17000.0 274.1916 82000.0 275.1746 590000.0 276.1783 220000.0 277.1809 10000.0 292.2018 1300000.0 293.1876 820000.0 294.1883 370000.0 295.1936 26000.0 302.1862 2100000.0 303.1893 840000.0 304.1922 59000.0 343.226 55000.0 344.2271 30000.0 358.2485 150000.0 359.2523 91000.0 376.2595 6100000.0 377.2625 3400000.0 378.2654 320000.0 394.2683 24000.0 395.2728 11000.0 END IONS BEGIN IONS SCANS=57 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=58 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=59 PEPMASS=432.2373 CHARGE=1 COLLISION_ENERGY=0.0 57.0335 22000.0 61.0285 19000.0 69.0291 12000.0 69.0335 150000.0 81.0336 27000.0 83.0491 51000.0 85.0283 51000.0 87.0439 11000.0 91.0389 20000.0 93.0698 64000.0 99.0441 20000.0 105.0698 1600000.0 106.0731 88000.0 111.0442 78000.0 119.0496 38000.0 121.0648 630000.0 122.0682 30000.0 129.0546 120000.0 147.0653 78000.0 267.1222 29000.0 387.1818 19000.0 END IONS BEGIN IONS SCANS=60 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=61 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=62 PEPMASS=421.3166 CHARGE=1 COLLISION_ENERGY=0.0 57.0697 65000.0 209.1281 47000.0 275.1768 15000.0 292.2018 74000.0 293.1855 140000.0 294.1881 16000.0 302.1862 160000.0 303.189 21000.0 358.2486 50000.0 376.2597 6900000.0 377.2627 1000000.0 394.2697 36000.0 404.2914 46000.0 421.3166 58000.0 422.3069 14000.0 END IONS BEGIN IONS SCANS=63 PEPMASS=387.1795 CHARGE=1 COLLISION_ENERGY=0.0 105.0699 2900000.0 106.0731 150000.0 119.0492 46000.0 175.0152 11000.0 388.2601 25000.0 END IONS BEGIN IONS SCANS=64 PEPMASS=404.206 CHARGE=1 COLLISION_ENERGY=0.0 91.0543 13000.0 105.0696 24000.0 404.2905 13000.0 END IONS BEGIN IONS SCANS=65 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=66 PEPMASS=88.0755 CHARGE=1 COLLISION_ENERGY=0.0 43.0178 13000.0 46.0651 76000.0 70.0651 16000.0 87.0917 11000.0 88.0757 590000.0 END IONS BEGIN IONS SCANS=67 PEPMASS=394.2889 CHARGE=1 COLLISION_ENERGY=0.0 57.0698 100000.0 209.1281 64000.0 210.1329 15000.0 218.129 12000.0 275.1762 17000.0 292.2019 90000.0 293.1827 110000.0 294.1892 45000.0 302.1861 180000.0 303.1894 76000.0 309.1994 17000.0 348.2259 14000.0 349.2311 10000.0 358.2487 34000.0 359.2533 18000.0 376.2596 4700000.0 377.2627 2900000.0 378.2654 280000.0 394.2697 29000.0 394.3336 10000.0 395.2772 19000.0 END IONS BEGIN IONS SCANS=68 PEPMASS=351.2385 CHARGE=1 COLLISION_ENERGY=0.0 334.2113 27000.0 351.2141 77000.0 352.2158 11000.0 END IONS BEGIN IONS SCANS=69 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=70 PEPMASS=393.2855 CHARGE=1 COLLISION_ENERGY=0.0 57.0698 390000.0 58.0732 19000.0 89.0594 10000.0 125.0704 10000.0 126.0551 15000.0 207.1129 29000.0 208.1441 13000.0 209.1282 270000.0 210.1122 25000.0 210.133 16000.0 218.1286 42000.0 219.1124 24000.0 224.1396 22000.0 274.1905 12000.0 275.1752 82000.0 291.1961 10000.0 292.2017 390000.0 293.1848 510000.0 294.1892 66000.0 302.1861 810000.0 303.1893 100000.0 308.1969 80000.0 309.1988 44000.0 343.228 14000.0 348.2268 59000.0 358.2489 140000.0 359.2526 25000.0 374.2402 35000.0 375.2473 26000.0 376.2595 12000000.0 377.2625 2000000.0 394.2697 75000.0 395.271 11000.0 END IONS BEGIN IONS SCANS=71 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=72 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=73 PEPMASS=376.2589 CHARGE=1 COLLISION_ENERGY=0.0 57.0698 1200000.0 89.5115 110000.0 93.8856 100000.0 99.4856 100000.0 105.4192 100000.0 130.821 110000.0 137.5518 110000.0 209.1286 1000000.0 218.129 210000.0 219.1122 190000.0 275.1746 310000.0 292.2017 1500000.0 293.185 2200000.0 294.1892 250000.0 302.1861 3300000.0 303.1892 270000.0 326.9111 110000.0 358.2498 590000.0 376.2593 54000000.0 377.2626 8200000.0 394.2687 310000.0 395.2671 120000.0 END IONS BEGIN IONS SCANS=74 PEPMASS=288.2529 CHARGE=1 COLLISION_ENERGY=0.0 70.0651 16000.0 88.0756 140000.0 106.0862 240000.0 227.2004 61000.0 288.2527 25000.0 END IONS BEGIN IONS SCANS=75 PEPMASS=331.0808 CHARGE=1 COLLISION_ENERGY=0.0 270.0528 24000.0 315.0498 67000.0 316.0567 31000.0 331.081 370000.0 332.0849 47000.0 END IONS BEGIN IONS SCANS=76 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=77 PEPMASS=326.3776 CHARGE=1 COLLISION_ENERGY=0.0 57.0698 63000.0 58.0651 33000.0 71.0853 18000.0 85.1012 24000.0 184.2062 21000.0 186.2215 350000.0 187.2241 36000.0 326.3781 5900000.0 327.3813 880000.0 END IONS BEGIN IONS SCANS=78 PEPMASS=171.1489 CHARGE=1 COLLISION_ENERGY=0.0 46.0651 120000.0 72.0443 96000.0 83.0855 29000.0 89.0709 150000.0 171.1492 260000.0 172.0752 11000.0 172.153 13000.0 END IONS BEGIN IONS SCANS=79 PEPMASS=327.3811 CHARGE=1 COLLISION_ENERGY=0.0 57.0698 37000.0 58.065 14000.0 71.0855 16000.0 184.2059 16000.0 186.2215 190000.0 187.2245 38000.0 326.378 2100000.0 327.3813 1100000.0 328.3846 90000.0 END IONS BEGIN IONS SCANS=80 PEPMASS=163.1326 CHARGE=1 COLLISION_ENERGY=0.0 121.101 11000.0 163.1479 18000.0 END IONS BEGIN IONS SCANS=81 PEPMASS=393.2854 CHARGE=1 COLLISION_ENERGY=0.0 57.0698 13000.0 292.2005 11000.0 293.1853 13000.0 302.1859 19000.0 376.2591 370000.0 377.2623 65000.0 393.2213 11000.0 END IONS BEGIN IONS SCANS=82 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=83 PEPMASS=244.1904 CHARGE=1 COLLISION_ENERGY=0.0 81.0698 22000.0 83.0855 21000.0 95.0855 16000.0 97.1009 18000.0 107.0853 14000.0 121.1008 13000.0 163.1479 38000.0 173.1324 13000.0 180.1746 59000.0 181.1585 17000.0 198.1849 16000.0 208.1696 12000.0 226.18 170000.0 227.1851 10000.0 END IONS BEGIN IONS SCANS=84 PEPMASS=226.1799 CHARGE=1 COLLISION_ENERGY=0.0 55.0178 12000.0 55.0542 73000.0 57.0335 12000.0 57.0698 68000.0 67.0542 68000.0 69.0698 99000.0 71.049 18000.0 71.0854 38000.0 72.0805 14000.0 79.0542 35000.0 81.0698 210000.0 83.049 12000.0 83.0854 230000.0 85.0648 32000.0 85.1009 11000.0 86.06 31000.0 86.096 14000.0 93.0698 74000.0 95.0854 180000.0 96.0805 22000.0 97.0648 62000.0 97.1011 160000.0 99.0803 14000.0 100.0756 61000.0 107.0854 160000.0 109.1011 43000.0 110.0964 34000.0 111.0803 73000.0 111.1165 11000.0 114.0912 60000.0 121.1011 130000.0 123.1168 29000.0 124.112 75000.0 125.0958 37000.0 128.1066 28000.0 131.0854 30000.0 135.1167 33000.0 138.1277 50000.0 139.1119 14000.0 139.1478 12000.0 142.1227 15000.0 147.1167 14000.0 149.1329 17000.0 156.1741 14000.0 163.148 290000.0 164.1517 19000.0 173.1322 66000.0 180.1746 470000.0 181.1585 110000.0 181.1777 29000.0 190.1586 28000.0 191.1422 16000.0 198.1853 110000.0 208.1693 62000.0 209.1532 16000.0 226.1801 600000.0 227.0813 13000.0 227.1631 25000.0 227.1876 37000.0 END IONS BEGIN IONS SCANS=85 PEPMASS=266.1723 CHARGE=1 COLLISION_ENERGY=0.0 266.1726 380000.0 267.1779 24000.0 END IONS BEGIN IONS SCANS=86 PEPMASS=227.1831 CHARGE=1 COLLISION_ENERGY=0.0 55.0542 22000.0 57.0699 19000.0 67.0541 18000.0 69.0699 28000.0 79.054 11000.0 81.0698 56000.0 83.0854 68000.0 86.06 10000.0 93.0698 21000.0 95.0855 52000.0 97.0647 19000.0 97.101 40000.0 100.0756 17000.0 107.0854 35000.0 109.1011 15000.0 111.0803 16000.0 114.0911 18000.0 121.1011 36000.0 124.1117 16000.0 125.0956 11000.0 135.1167 10000.0 163.1479 65000.0 164.1515 15000.0 173.1324 18000.0 180.1745 100000.0 181.1587 16000.0 181.1781 26000.0 198.185 22000.0 208.1697 14000.0 226.1799 110000.0 227.1851 29000.0 END IONS BEGIN IONS SCANS=87 PEPMASS=304.2995 CHARGE=1 COLLISION_ENERGY=0.0 58.0651 180000.0 91.0542 600000.0 92.0574 26000.0 212.2372 390000.0 213.2406 32000.0 304.2999 1100000.0 305.3032 160000.0 END IONS BEGIN IONS SCANS=88 PEPMASS=305.3029 CHARGE=1 COLLISION_ENERGY=0.0 58.0651 67000.0 91.0542 220000.0 92.0575 25000.0 212.2372 110000.0 213.2406 29000.0 304.2999 290000.0 305.3033 150000.0 END IONS BEGIN IONS SCANS=89 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=90 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=91 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=92 PEPMASS=251.185 CHARGE=1 COLLISION_ENERGY=0.0 59.0491 88000.0 251.0469 25000.0 252.157 12000.0 END IONS BEGIN IONS SCANS=93 PEPMASS=124.0867 CHARGE=1 COLLISION_ENERGY=0.0 123.0551 48000.0 123.0912 39000.0 124.0397 19000.0 124.0867 340000.0 125.0906 11000.0 END IONS BEGIN IONS SCANS=94 PEPMASS=216.0559 CHARGE=1 COLLISION_ENERGY=0.0 187.0581 25000.0 215.0534 3200000.0 216.0555 720000.0 217.0583 28000.0 END IONS BEGIN IONS SCANS=95 PEPMASS=214.0497 CHARGE=1 COLLISION_ENERGY=0.0 49.8269 64000.0 51.4751 66000.0 54.4411 66000.0 75.4079 68000.0 92.6729 69000.0 111.7557 70000.0 119.3679 65000.0 123.9803 66000.0 155.3928 65000.0 177.6609 68000.0 186.0546 240000.0 214.05 55000000.0 215.0532 3400000.0 215.08 160000.0 226.5611 94000.0 END IONS BEGIN IONS SCANS=96 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=97 PEPMASS=215.0529 CHARGE=1 COLLISION_ENERGY=0.0 53.2038 30000.0 79.7292 37000.0 87.0543 33000.0 127.1997 33000.0 152.576 28000.0 186.0546 180000.0 187.057 42000.0 214.0499 28000000.0 215.0532 7400000.0 216.056 460000.0 END IONS BEGIN IONS SCANS=98 PEPMASS=212.1472 CHARGE=1 COLLISION_ENERGY=0.0 70.0651 260000.0 71.0684 15000.0 86.0964 230000.0 87.0995 18000.0 98.06 67000.0 114.0913 46000.0 127.086 11000.0 138.1275 48000.0 154.0734 20000.0 155.1541 37000.0 183.149 110000.0 184.1526 24000.0 194.1169 11000.0 211.144 620000.0 212.1472 160000.0 214.0505 11000.0 END IONS BEGIN IONS SCANS=99 PEPMASS=258.2788 CHARGE=1 COLLISION_ENERGY=0.0 57.0698 74000.0 58.0651 800000.0 62.06 130000.0 71.0855 42000.0 85.1012 31000.0 240.2682 110000.0 258.2791 1500000.0 259.2824 140000.0 END IONS BEGIN IONS SCANS=100 PEPMASS=88.0755 CHARGE=1 COLLISION_ENERGY=0.0 43.0178 16000.0 46.0651 130000.0 70.0651 19000.0 88.0757 1100000.0 89.079 15000.0 END IONS BEGIN IONS SCANS=101 PEPMASS=180.1016 CHARGE=1 COLLISION_ENERGY=0.0 121.0647 310000.0 122.068 10000.0 138.0914 30000.0 179.1184 13000.0 180.1016 24000.0 END IONS BEGIN IONS SCANS=102 PEPMASS=259.2822 CHARGE=1 COLLISION_ENERGY=0.0 57.0698 22000.0 58.0651 330000.0 59.0684 16000.0 62.06 49000.0 71.0855 13000.0 240.2686 32000.0 241.272 11000.0 258.2791 510000.0 259.2824 200000.0 END IONS BEGIN IONS SCANS=103 PEPMASS=211.1439 CHARGE=1 COLLISION_ENERGY=0.0 69.0698 10000.0 70.0651 430000.0 71.0684 11000.0 86.0964 590000.0 87.0995 12000.0 98.0599 170000.0 114.0912 76000.0 127.0859 15000.0 138.1276 95000.0 151.0755 62000.0 152.0791 10000.0 154.0738 44000.0 155.1542 75000.0 167.154 11000.0 183.1491 280000.0 194.1174 21000.0 211.1441 1500000.0 212.1472 100000.0 END IONS BEGIN IONS SCANS=104 PEPMASS=367.2088 CHARGE=1 COLLISION_ENERGY=0.0 367.2091 230000.0 368.2118 27000.0 END IONS BEGIN IONS SCANS=105 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=106 PEPMASS=164.0704 CHARGE=1 COLLISION_ENERGY=0.0 164.0705 240000.0 165.0751 14000.0 END IONS BEGIN IONS SCANS=107 PEPMASS=245.1281 CHARGE=1 COLLISION_ENERGY=0.0 70.0651 130000.0 98.0598 11000.0 120.0807 120000.0 154.0735 50000.0 172.1123 18000.0 217.1336 42000.0 245.1284 160000.0 246.0222 21000.0 246.1318 16000.0 END IONS BEGIN IONS SCANS=108 PEPMASS=284.1391 CHARGE=1 COLLISION_ENERGY=0.0 130.0651 220000.0 131.0685 10000.0 132.0808 12000.0 170.0599 24000.0 284.139 23000.0 284.3314 14000.0 END IONS BEGIN IONS SCANS=109 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=110 PEPMASS=230.2476 CHARGE=1 COLLISION_ENERGY=0.0 57.0698 140000.0 58.0651 2100000.0 59.0684 44000.0 62.06 330000.0 70.0148 10000.0 71.0854 84000.0 85.1012 59000.0 181.0951 10000.0 212.2368 230000.0 212.2603 18000.0 213.2417 20000.0 230.2477 4700000.0 231.2511 400000.0 240.2535 11000.0 END IONS BEGIN IONS SCANS=111 PEPMASS=231.2509 CHARGE=1 COLLISION_ENERGY=0.0 57.0698 81000.0 58.0651 1100000.0 59.0684 72000.0 62.06 180000.0 71.0855 49000.0 85.1011 27000.0 212.2371 110000.0 213.2412 39000.0 230.2478 1800000.0 231.2512 720000.0 232.2542 38000.0 END IONS BEGIN IONS SCANS=112 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=113 PEPMASS=245.1282 CHARGE=1 COLLISION_ENERGY=0.0 70.0651 130000.0 98.0601 10000.0 120.0807 110000.0 154.0737 53000.0 172.112 16000.0 217.1336 36000.0 245.1286 140000.0 246.022 31000.0 246.1321 15000.0 END IONS BEGIN IONS SCANS=114 PEPMASS=197.1283 CHARGE=1 COLLISION_ENERGY=0.0 70.0651 85000.0 72.0807 130000.0 98.0601 39000.0 100.0755 16000.0 124.1119 30000.0 141.1386 25000.0 154.0733 13000.0 169.1335 92000.0 197.1284 420000.0 198.1318 22000.0 END IONS BEGIN IONS SCANS=115 PEPMASS=200.2371 CHARGE=1 COLLISION_ENERGY=0.0 57.0698 34000.0 71.0854 19000.0 200.2371 310000.0 201.2405 22000.0 END IONS BEGIN IONS SCANS=116 PEPMASS=402.3574 CHARGE=1 COLLISION_ENERGY=0.0 57.0699 22000.0 71.0855 16000.0 95.0856 11000.0 283.2631 1100000.0 284.2665 120000.0 402.3574 170000.0 403.3592 24000.0 END IONS BEGIN IONS SCANS=117 PEPMASS=144.0476 CHARGE=1 COLLISION_ENERGY=0.0 62.929 44000.0 103.9555 64000.0 113.0294 27000.0 121.9661 830000.0 126.0369 26000.0 131.9616 21000.0 144.0477 720000.0 144.982 140000.0 145.0513 34000.0 145.0751 18000.0 END IONS BEGIN IONS SCANS=118 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=119 PEPMASS=284.1391 CHARGE=1 COLLISION_ENERGY=0.0 130.0651 140000.0 132.081 10000.0 284.1392 13000.0 284.3315 10000.0 END IONS BEGIN IONS SCANS=120 PEPMASS=110.0599 CHARGE=1 COLLISION_ENERGY=0.0 82.0649 10000.0 110.0601 1300000.0 111.0635 47000.0 111.0915 41000.0 END IONS BEGIN IONS SCANS=121 PEPMASS=156.1017 CHARGE=1 COLLISION_ENERGY=0.0 43.0177 11000.0 56.0494 71000.0 93.0698 35000.0 95.0491 18000.0 95.0854 41000.0 96.0805 11000.0 97.0283 28000.0 109.0646 14000.0 110.0963 33000.0 111.0804 51000.0 113.0597 24000.0 121.0649 16000.0 128.1069 15000.0 138.0912 240000.0 139.0753 190000.0 139.0945 12000.0 140.0787 11000.0 156.1019 1900000.0 157.1053 120000.0 END IONS BEGIN IONS SCANS=122 PEPMASS=590.2061 CHARGE=1 COLLISION_ENERGY=0.0 119.0854 61000.0 377.0553 17000.0 455.1009 17000.0 495.1331 22000.0 573.1818 12000.0 END IONS BEGIN IONS SCANS=123 PEPMASS=138.0911 CHARGE=1 COLLISION_ENERGY=0.0 110.0601 15000.0 121.0396 27000.0 137.071 11000.0 138.0552 12000.0 138.0913 600000.0 139.0501 11000.0 139.0945 31000.0 139.1229 19000.0 140.0342 11000.0 END IONS BEGIN IONS SCANS=124 PEPMASS=96.0443 CHARGE=1 COLLISION_ENERGY=0.0 68.0492 19000.0 96.0444 8600000.0 97.0402 21000.0 97.0476 180000.0 END IONS BEGIN IONS SCANS=125 PEPMASS=162.066 CHARGE=1 COLLISION_ENERGY=0.0 120.0555 250000.0 144.0556 36000.0 161.0711 20000.0 162.0665 1300000.0 163.0706 65000.0 END IONS BEGIN IONS SCANS=126 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=127 PEPMASS=170.1173 CHARGE=1 COLLISION_ENERGY=0.0 70.065 20000.0 83.0855 19000.0 97.1012 25000.0 107.0854 20000.0 124.1114 10000.0 125.0965 21000.0 135.0806 10000.0 142.122 13000.0 169.0762 200000.0 169.097 45000.0 170.0794 52000.0 170.0977 32000.0 170.1178 24000.0 171.1492 16000.0 END IONS BEGIN IONS SCANS=128 PEPMASS=210.1097 CHARGE=1 COLLISION_ENERGY=0.0 210.1101 180000.0 211.1177 13000.0 END IONS BEGIN IONS SCANS=129 PEPMASS=146.9801 CHARGE=1 COLLISION_ENERGY=0.0 62.9292 10000.0 64.9272 180000.0 82.939 28000.0 105.9537 310000.0 121.966 69000.0 122.9702 60000.0 123.9644 2700000.0 124.9682 42000.0 133.9597 130000.0 145.9853 17000.0 146.9802 370000.0 147.0553 19000.0 147.0911 13000.0 147.9835 11000.0 163.9957 17000.0 END IONS BEGIN IONS SCANS=130 PEPMASS=197.1283 CHARGE=1 COLLISION_ENERGY=0.0 70.0651 180000.0 72.0808 49000.0 98.06 13000.0 100.0756 32000.0 124.112 28000.0 141.1385 22000.0 154.0734 11000.0 169.1336 88000.0 197.1284 460000.0 198.1314 33000.0 END IONS BEGIN IONS SCANS=131 PEPMASS=144.982 CHARGE=1 COLLISION_ENERGY=0.0 46.0034 11000.0 48.2126 11000.0 62.929 400000.0 62.933 20000.0 72.2246 11000.0 80.9407 70000.0 103.9555 350000.0 121.9661 6800000.0 122.97 100000.0 123.9702 13000.0 131.9616 79000.0 131.9982 12000.0 144.0481 30000.0 144.982 930000.0 145.9853 29000.0 146.0605 14000.0 161.9975 50000.0 END IONS BEGIN IONS SCANS=132 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=133 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=134 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=135 PEPMASS=169.0758 CHARGE=1 COLLISION_ENERGY=0.0 44.0495 20000.0 70.0651 100000.0 98.06 40000.0 141.1022 14000.0 150.0913 13000.0 168.1018 15000.0 169.0763 750000.0 169.0972 260000.0 170.0793 51000.0 170.0984 21000.0 END IONS BEGIN IONS SCANS=136 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=137 PEPMASS=246.152 CHARGE=1 COLLISION_ENERGY=0.0 55.0179 28000.0 55.0542 66000.0 57.0699 46000.0 58.9949 72000.0 67.0541 130000.0 69.0698 150000.0 73.0106 15000.0 74.0058 16000.0 76.0215 110000.0 81.0698 250000.0 83.0854 100000.0 86.9899 110000.0 87.0262 220000.0 88.0216 30000.0 88.0393 41000.0 95.0853 13000.0 97.1009 27000.0 99.0264 13000.0 101.0419 100000.0 105.0005 83000.0 115.0569 22000.0 116.0527 73000.0 120.0113 11000.0 123.1168 66000.0 142.159 630000.0 143.1624 29000.0 154.1588 14000.0 157.1047 44000.0 166.1587 11000.0 183.1201 34000.0 187.0868 16000.0 200.1467 300000.0 201.1497 20000.0 229.1256 490000.0 230.1289 38000.0 246.021 17000.0 246.1521 590000.0 246.2412 63000.0 247.1551 40000.0 END IONS BEGIN IONS SCANS=138 PEPMASS=195.1127 CHARGE=1 COLLISION_ENERGY=0.0 45.0334 15000.0 70.0651 220000.0 89.0596 18000.0 98.0599 75000.0 123.0914 14000.0 124.0955 12000.0 177.1026 13000.0 194.1733 53000.0 195.1127 620000.0 196.1158 32000.0 END IONS BEGIN IONS SCANS=139 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=140 PEPMASS=154.086 CHARGE=1 COLLISION_ENERGY=0.0 81.0697 26000.0 96.0442 11000.0 108.0807 27000.0 126.091 17000.0 135.0915 22000.0 136.0755 220000.0 153.1007 28000.0 153.1383 37000.0 154.0861 780000.0 155.0891 35000.0 END IONS BEGIN IONS SCANS=141 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=142 PEPMASS=110.0599 CHARGE=1 COLLISION_ENERGY=0.0 68.0494 85000.0 69.0448 13000.0 82.0648 12000.0 93.0447 62000.0 94.0286 14000.0 109.0759 23000.0 110.06 4000000.0 111.0552 390000.0 111.0636 130000.0 111.0914 65000.0 END IONS BEGIN IONS SCANS=143 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=144 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=145 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=146 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=147 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=148 PEPMASS=243.1489 CHARGE=1 COLLISION_ENERGY=0.0 93.0698 29000.0 121.0647 1000000.0 122.068 50000.0 123.0915 210000.0 243.1151 11000.0 243.1488 170000.0 244.1555 14000.0 END IONS BEGIN IONS SCANS=149 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=150 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=151 PEPMASS=126.0548 CHARGE=1 COLLISION_ENERGY=0.0 82.0653 11000.0 107.0603 19000.0 108.0444 4000000.0 109.0477 170000.0 125.0611 13000.0 125.0707 320000.0 125.0902 22000.0 125.1074 21000.0 126.0549 1700000.0 126.091 120000.0 127.0589 66000.0 149.0706 100000.0 END IONS BEGIN IONS SCANS=152 PEPMASS=100.0755 CHARGE=1 COLLISION_ENERGY=0.0 56.0494 160000.0 72.0808 15000.0 82.065 36000.0 100.0757 5700000.0 101.079 130000.0 END IONS BEGIN IONS SCANS=153 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=154 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=155 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=156 PEPMASS=283.122 CHARGE=1 COLLISION_ENERGY=0.0 59.0604 12000.0 81.0447 130000.0 89.0596 190000.0 110.0711 11000.0 117.0368 140000.0 122.0712 620000.0 123.0791 880000.0 124.0842 25000.0 133.0859 68000.0 134.0632 12000.0 137.0825 15000.0 139.0977 820000.0 140.0822 13000.0 140.1013 19000.0 144.0476 120000.0 150.0665 14000.0 154.0435 150000.0 163.0981 18000.0 164.1059 20000.0 167.064 17000.0 167.0926 160000.0 167.1092 12000.0 177.1126 13000.0 197.0748 11000.0 205.12 10000.0 208.0912 20000.0 225.1172 21000.0 235.1031 14000.0 238.1004 49000.0 253.1118 200000.0 254.1157 11000.0 255.1276 39000.0 265.1121 95000.0 283.1222 1900000.0 284.1247 150000.0 END IONS BEGIN IONS SCANS=157 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=158 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=159 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=160 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=161 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=162 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=163 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=164 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=165 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=166 PEPMASS=298.0965 CHARGE=1 COLLISION_ENERGY=0.0 61.0066 21000.0 61.0106 410000.0 69.0335 30000.0 75.0263 150000.0 97.0283 190000.0 103.0212 65000.0 115.0393 14000.0 136.0618 7100000.0 137.0661 210000.0 145.0316 290000.0 146.0339 11000.0 163.0422 180000.0 297.1666 12000.0 298.0963 360000.0 299.098 24000.0 299.1816 27000.0 END IONS BEGIN IONS SCANS=167 PEPMASS=227.1751 CHARGE=1 COLLISION_ENERGY=0.0 55.0542 27000.0 83.0854 41000.0 100.112 920000.0 101.1153 33000.0 105.0698 38000.0 117.138 12000.0 209.1647 200000.0 210.1687 15000.0 227.1249 22000.0 227.1756 290000.0 228.1792 22000.0 END IONS BEGIN IONS SCANS=168 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=169 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=170 PEPMASS=239.1486 CHARGE=1 COLLISION_ENERGY=0.0 89.0596 89000.0 123.117 10000.0 133.0858 28000.0 239.1756 18000.0 END IONS BEGIN IONS SCANS=171 PEPMASS=332.2081 CHARGE=1 COLLISION_ENERGY=0.0 55.0541 23000.0 56.0494 25000.0 58.9949 20000.0 67.0542 38000.0 69.0697 27000.0 74.0058 26000.0 76.0214 69000.0 79.054 13000.0 81.0698 87000.0 83.0854 42000.0 84.0809 13000.0 85.0105 11000.0 86.0058 42000.0 86.9899 17000.0 87.0262 68000.0 88.0215 13000.0 88.0393 17000.0 91.0546 12000.0 93.0698 53000.0 95.0855 110000.0 96.0889 11000.0 97.0105 220000.0 97.0647 12000.0 97.1009 19000.0 98.0138 18000.0 99.0266 24000.0 99.08 14000.0 101.0421 30000.0 105.0003 16000.0 105.0699 15000.0 107.0855 58000.0 109.1012 57000.0 111.0264 10000.0 111.0806 16000.0 113.042 39000.0 114.0913 13000.0 116.0526 25000.0 119.0851 24000.0 121.1008 36000.0 122.0269 27000.0 123.1166 12000.0 125.042 10000.0 127.0578 19000.0 131.0855 27000.0 132.0113 91000.0 133.101 18000.0 135.1168 15000.0 137.0417 120000.0 138.0446 10000.0 139.0575 21000.0 147.1165 22000.0 149.1321 25000.0 151.0576 39000.0 163.1481 35000.0 173.1322 76000.0 174.1353 16000.0 175.1479 24000.0 191.1428 47000.0 192.1464 12000.0 193.1581 16000.0 207.1199 20000.0 208.1694 17000.0 210.1852 1300000.0 211.1887 320000.0 212.192 16000.0 223.1514 18000.0 225.1305 96000.0 226.1343 20000.0 227.1486 24000.0 227.2124 15000.0 228.1497 13000.0 228.1941 10000.0 233.1357 12000.0 234.185 34000.0 235.1891 17000.0 236.2 16000.0 240.178 48000.0 241.1812 15000.0 242.1566 25000.0 251.1462 220000.0 252.1497 88000.0 252.1954 36000.0 268.1729 660000.0 269.1767 230000.0 270.1677 34000.0 280.1899 21000.0 285.1995 94000.0 286.1815 280000.0 287.1863 110000.0 288.181 16000.0 314.1783 310000.0 315.1818 130000.0 316.1771 23000.0 331.2051 400000.0 332.2083 170000.0 333.2053 38000.0 END IONS BEGIN IONS SCANS=172 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=173 PEPMASS=331.2046 CHARGE=1 COLLISION_ENERGY=0.0 55.0539 28000.0 56.0493 24000.0 56.8047 15000.0 58.9948 36000.0 67.0541 80000.0 69.0698 53000.0 70.0961 14000.0 74.0056 28000.0 76.0214 120000.0 77.1715 17000.0 79.0542 29000.0 80.0494 17000.0 80.3063 17000.0 81.0698 150000.0 83.0855 84000.0 84.0806 19000.0 85.0104 30000.0 85.0648 28000.0 86.0057 68000.0 86.9896 35000.0 87.0263 92000.0 88.0216 14000.0 88.039 32000.0 91.0537 15000.0 93.0698 82000.0 95.0854 170000.0 97.003 20000.0 97.0106 390000.0 97.0648 22000.0 97.1009 32000.0 98.0132 17000.0 99.0262 34000.0 99.0801 21000.0 101.042 45000.0 105.0699 26000.0 107.0857 98000.0 109.1011 88000.0 111.0257 27000.0 111.0803 26000.0 113.0418 56000.0 114.0907 17000.0 116.0525 46000.0 119.085 36000.0 121.101 48000.0 122.0268 59000.0 123.0256 18000.0 123.1169 26000.0 125.042 24000.0 126.0921 16000.0 127.0572 45000.0 128.106 15000.0 131.0849 64000.0 132.0114 150000.0 133.1005 30000.0 135.1165 48000.0 137.0419 180000.0 139.0573 33000.0 145.1006 19000.0 147.1163 49000.0 149.1322 59000.0 151.0574 68000.0 163.1479 62000.0 165.0735 18000.0 173.1316 130000.0 175.1475 69000.0 176.1518 18000.0 189.1622 14000.0 191.1428 83000.0 193.1585 58000.0 197.1362 21000.0 199.1483 16000.0 206.1894 19000.0 207.1205 33000.0 208.1696 39000.0 210.1851 2900000.0 211.1668 19000.0 211.1889 180000.0 212.0717 13000.0 223.1508 34000.0 225.1309 200000.0 226.1344 31000.0 227.1456 58000.0 227.2117 32000.0 228.1946 27000.0 229.178 17000.0 233.1365 34000.0 234.1854 57000.0 236.1999 15000.0 240.1519 17000.0 240.1771 99000.0 242.1579 57000.0 251.1463 530000.0 252.1491 38000.0 252.1958 59000.0 253.2274 44000.0 268.1728 1400000.0 269.1783 120000.0 280.1892 27000.0 285.1993 280000.0 286.183 620000.0 287.1866 62000.0 296.1706 33000.0 314.1783 870000.0 315.1804 97000.0 331.2048 1300000.0 332.2077 160000.0 354.8892 13000.0 END IONS BEGIN IONS SCANS=174 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=175 PEPMASS=353.1864 CHARGE=1 COLLISION_ENERGY=0.0 249.1938 14000.0 275.2092 750000.0 276.2124 83000.0 353.0985 14000.0 353.188 130000.0 354.1877 18000.0 END IONS BEGIN IONS SCANS=176 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=177 PEPMASS=124.0867 CHARGE=1 COLLISION_ENERGY=0.0 80.0494 98000.0 96.0444 29000.0 106.0288 12000.0 123.0553 3200000.0 124.0393 23000.0 124.059 450000.0 124.0762 52000.0 124.0867 710000.0 125.0602 16000.0 125.0711 25000.0 125.0902 29000.0 END IONS BEGIN IONS SCANS=178 PEPMASS=123.0552 CHARGE=1 COLLISION_ENERGY=0.0 49.6044 22000.0 50.981 22000.0 77.5293 23000.0 78.0336 25000.0 79.0421 28000.0 80.0494 350000.0 82.6313 20000.0 83.8819 21000.0 96.0443 88000.0 106.0289 39000.0 122.096 31000.0 123.0553 20000000.0 124.0393 50000.0 124.0589 790000.0 124.0763 55000.0 124.0864 400000.0 132.246 26000.0 END IONS BEGIN IONS SCANS=179 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=180 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=181 PEPMASS=224.0737 CHARGE=1 COLLISION_ENERGY=0.0 58.9949 12000.0 76.0214 15000.0 86.9899 16000.0 105.0003 15000.0 119.0729 17000.0 120.0807 160000.0 121.0842 11000.0 135.0262 330000.0 136.0297 16000.0 144.0806 16000.0 161.0421 17000.0 178.0684 33000.0 224.0734 55000.0 END IONS BEGIN IONS SCANS=182 PEPMASS=195.1225 CHARGE=1 COLLISION_ENERGY=0.0 45.0334 15000.0 70.0651 220000.0 89.0596 18000.0 98.0599 75000.0 123.0914 14000.0 124.0955 12000.0 177.1026 13000.0 194.1733 53000.0 195.1127 620000.0 196.1158 32000.0 END IONS BEGIN IONS SCANS=183 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=184 PEPMASS=210.1097 CHARGE=1 COLLISION_ENERGY=0.0 141.1018 10000.0 163.1233 11000.0 210.11 130000.0 211.1101 10000.0 END IONS BEGIN IONS SCANS=185 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=186 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=187 PEPMASS=283.122 CHARGE=1 COLLISION_ENERGY=0.0 81.0446 12000.0 89.0596 24000.0 117.0368 15000.0 122.071 64000.0 123.079 82000.0 139.0976 69000.0 144.0473 17000.0 154.043 16000.0 167.0924 15000.0 253.1118 27000.0 265.112 12000.0 283.1212 180000.0 284.1263 15000.0 END IONS BEGIN IONS SCANS=188 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=189 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=190 PEPMASS=195.1129 CHARGE=1 COLLISION_ENERGY=0.0 45.0335 54000.0 89.0596 71000.0 133.086 13000.0 149.1072 85000.0 177.1021 85000.0 195.1125 81000.0 195.1459 11000.0 END IONS BEGIN IONS SCANS=191 PEPMASS=249.1344 CHARGE=1 COLLISION_ENERGY=0.0 219.1239 66000.0 249.1344 320000.0 250.1378 26000.0 END IONS BEGIN IONS SCANS=192 PEPMASS=105.0697 CHARGE=1 COLLISION_ENERGY=0.0 79.0541 54000.0 95.0491 11000.0 103.0541 48000.0 105.0698 1100000.0 106.0732 44000.0 END IONS BEGIN IONS SCANS=193 PEPMASS=393.2855 CHARGE=1 COLLISION_ENERGY=0.0 302.1865 14000.0 376.2594 160000.0 377.2626 27000.0 END IONS BEGIN IONS SCANS=194 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=195 PEPMASS=124.0867 CHARGE=1 COLLISION_ENERGY=0.0 42.0338 35000.0 80.0493 75000.0 83.06 13000.0 96.0442 24000.0 123.0553 2500000.0 124.0394 21000.0 124.059 370000.0 124.0766 31000.0 124.0867 580000.0 125.0602 11000.0 125.0709 23000.0 125.0906 15000.0 END IONS BEGIN IONS SCANS=196 PEPMASS=393.2857 CHARGE=1 COLLISION_ENERGY=0.0 302.1865 12000.0 376.2595 180000.0 377.263 29000.0 END IONS BEGIN IONS SCANS=197 PEPMASS=151.0963 CHARGE=1 COLLISION_ENERGY=0.0 45.0334 19000.0 89.0596 11000.0 151.1228 39000.0 152.0341 78000.0 END IONS BEGIN IONS SCANS=198 PEPMASS=348.1438 CHARGE=1 COLLISION_ENERGY=0.0 249.0915 11000.0 267.102 40000.0 295.0966 92000.0 296.1004 12000.0 END IONS BEGIN IONS SCANS=199 PEPMASS=375.0812 CHARGE=1 COLLISION_ENERGY=0.0 57.0699 15000.0 292.202 10000.0 302.187 24000.0 331.0917 72000.0 332.0951 10000.0 375.0818 160000.0 376.0854 23000.0 376.2598 99000.0 END IONS BEGIN IONS SCANS=200 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=201 PEPMASS=353.0992 CHARGE=1 COLLISION_ENERGY=0.0 353.0995 70000.0 354.1024 12000.0 END IONS BEGIN IONS SCANS=202 PEPMASS=337.0365 CHARGE=1 COLLISION_ENERGY=0.0 175.0017 15000.0 END IONS BEGIN IONS SCANS=203 PEPMASS=321.0626 CHARGE=1 COLLISION_ENERGY=0.0 159.0276 530000.0 160.0314 18000.0 321.0625 26000.0 END IONS BEGIN IONS SCANS=204 PEPMASS=298.0966 CHARGE=1 COLLISION_ENERGY=0.0 61.0106 21000.0 75.0261 11000.0 97.0283 10000.0 136.0617 400000.0 145.032 14000.0 298.0961 15000.0 END IONS BEGIN IONS SCANS=205 PEPMASS=190.0895 CHARGE=1 COLLISION_ENERGY=0.0 58.9949 45000.0 67.0542 14000.0 69.0698 39000.0 76.0213 18000.0 86.0963 88000.0 86.9898 31000.0 88.0211 10000.0 101.0418 110000.0 105.0003 25000.0 144.084 40000.0 173.0629 97000.0 190.0894 77000.0 END IONS BEGIN IONS SCANS=206 PEPMASS=144.982 CHARGE=1 COLLISION_ENERGY=0.0 62.929 20000.0 103.9555 27000.0 121.966 350000.0 144.0804 22000.0 144.9821 59000.0 END IONS BEGIN IONS SCANS=207 PEPMASS=190.0894 CHARGE=1 COLLISION_ENERGY=0.0 58.995 21000.0 69.0698 19000.0 76.0216 10000.0 86.0963 51000.0 86.9898 14000.0 101.0419 55000.0 105.0005 13000.0 144.0842 16000.0 173.0631 48000.0 190.0891 41000.0 END IONS BEGIN IONS SCANS=208 PEPMASS=146.081 CHARGE=1 COLLISION_ENERGY=0.0 72.0807 12000.0 86.06 100000.0 86.9897 16000.0 100.0214 110000.0 105.0004 32000.0 121.9659 24000.0 123.9642 51000.0 146.0269 89000.0 146.9809 10000.0 END IONS BEGIN IONS SCANS=209 PEPMASS=267.1449 CHARGE=1 COLLISION_ENERGY=0.0 81.0446 37000.0 118.0861 11000.0 122.0712 200000.0 123.0792 50000.0 124.0868 38000.0 139.0978 33000.0 209.1398 59000.0 221.1389 11000.0 237.1345 100000.0 239.1501 110000.0 249.134 14000.0 267.1451 390000.0 268.1474 27000.0 END IONS BEGIN IONS SCANS=210 PEPMASS=152.0704 CHARGE=1 COLLISION_ENERGY=0.0 96.0805 15000.0 124.0756 67000.0 134.0599 690000.0 135.0635 43000.0 151.1227 43000.0 152.0704 380000.0 153.075 22000.0 END IONS BEGIN IONS SCANS=211 PEPMASS=170.0811 CHARGE=1 COLLISION_ENERGY=0.0 124.0755 62000.0 134.0598 740000.0 135.0637 35000.0 152.0704 4500000.0 153.0739 270000.0 170.0809 1500000.0 171.0845 97000.0 171.1489 14000.0 END IONS BEGIN IONS SCANS=212 PEPMASS=171.0843 CHARGE=1 COLLISION_ENERGY=0.0 46.0653 11000.0 89.0708 22000.0 124.0751 29000.0 134.0598 380000.0 135.0634 64000.0 152.0705 1900000.0 153.0739 380000.0 154.0752 17000.0 170.0809 520000.0 171.0842 110000.0 171.1491 31000.0 END IONS BEGIN IONS SCANS=213 PEPMASS=331.2046 CHARGE=1 COLLISION_ENERGY=0.0 97.0106 17000.0 210.1853 120000.0 251.1461 19000.0 268.1732 58000.0 286.1831 36000.0 314.1791 29000.0 331.2058 48000.0 END IONS BEGIN IONS SCANS=214 PEPMASS=212.1028 CHARGE=1 COLLISION_ENERGY=0.0 125.071 31000.0 153.0653 12000.0 195.0764 100000.0 END IONS BEGIN IONS SCANS=215 PEPMASS=176.0739 CHARGE=1 COLLISION_ENERGY=0.0 55.0543 11000.0 58.995 29000.0 72.0808 230000.0 76.0215 18000.0 86.9898 43000.0 87.0262 120000.0 105.0004 36000.0 113.0418 28000.0 130.0684 73000.0 159.0474 150000.0 176.0739 130000.0 END IONS BEGIN IONS SCANS=216 PEPMASS=395.1961 CHARGE=1 COLLISION_ENERGY=0.0 244.0969 21000.0 282.1122 13000.0 324.1228 47000.0 350.1373 16000.0 367.1655 43000.0 395.1964 790000.0 396.1996 130000.0 END IONS BEGIN IONS SCANS=217 PEPMASS=171.0762 CHARGE=1 COLLISION_ENERGY=0.0 46.0652 18000.0 72.0444 16000.0 89.0709 24000.0 125.0709 75000.0 134.0599 32000.0 152.0706 170000.0 153.0649 120000.0 170.0812 50000.0 170.097 19000.0 171.1496 39000.0 END IONS BEGIN IONS SCANS=218 PEPMASS=136.0617 CHARGE=1 COLLISION_ENERGY=0.0 119.0355 26000.0 136.0213 220000.0 136.0619 7000000.0 137.0454 14000.0 137.0663 240000.0 137.1073 210000.0 END IONS BEGIN IONS SCANS=219 PEPMASS=162.9976 CHARGE=1 COLLISION_ENERGY=0.0 62.9817 61000.0 146.0711 94000.0 162.9976 48000.0 164.0818 28000.0 END IONS BEGIN IONS SCANS=220 PEPMASS=176.0738 CHARGE=1 COLLISION_ENERGY=0.0 58.9949 19000.0 72.0807 190000.0 76.0215 16000.0 86.9898 33000.0 87.0262 67000.0 105.0004 27000.0 113.0418 25000.0 130.0684 59000.0 159.0474 110000.0 176.0739 120000.0 END IONS BEGIN IONS SCANS=221 PEPMASS=212.1027 CHARGE=1 COLLISION_ENERGY=0.0 125.0708 210000.0 153.0657 110000.0 195.0763 260000.0 196.0796 15000.0 212.103 35000.0 END IONS BEGIN IONS SCANS=222 PEPMASS=234.0847 CHARGE=1 COLLISION_ENERGY=0.0 234.0848 100000.0 END IONS BEGIN IONS SCANS=223 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=224 PEPMASS=251.15 CHARGE=1 COLLISION_ENERGY=0.0 86.0964 30000.0 110.0712 160000.0 166.061 54000.0 178.1338 58000.0 223.1552 48000.0 234.1232 23000.0 251.0455 14000.0 251.1501 270000.0 252.1526 16000.0 END IONS BEGIN IONS SCANS=225 PEPMASS=170.081 CHARGE=1 COLLISION_ENERGY=0.0 89.0707 10000.0 125.0708 64000.0 134.0599 62000.0 152.0705 350000.0 153.0649 99000.0 170.0808 110000.0 170.0968 20000.0 171.1497 14000.0 END IONS BEGIN IONS SCANS=226 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=227 PEPMASS=242.0997 CHARGE=1 COLLISION_ENERGY=0.0 112.0367 49000.0 153.0521 51000.0 224.0892 58000.0 242.0997 670000.0 243.103 40000.0 END IONS BEGIN IONS SCANS=228 PEPMASS=220.1178 CHARGE=1 COLLISION_ENERGY=0.0 57.07 28000.0 59.049 28000.0 67.0543 17000.0 69.0698 44000.0 70.0288 16000.0 72.0443 110000.0 73.0282 17000.0 83.0492 12000.0 85.0647 87000.0 86.0962 17000.0 87.0802 33000.0 90.0549 1100000.0 91.0578 23000.0 95.049 48000.0 98.0236 120000.0 100.0392 29000.0 103.0752 120000.0 113.0595 32000.0 116.0341 200000.0 124.0756 160000.0 131.0701 11000.0 142.0863 82000.0 156.1022 14000.0 160.097 37000.0 166.0865 25000.0 174.112 33000.0 184.0967 280000.0 185.1003 16000.0 202.1073 390000.0 203.1113 20000.0 219.1753 10000.0 220.1179 420000.0 221.1208 18000.0 END IONS BEGIN IONS SCANS=229 PEPMASS=221.1211 CHARGE=1 COLLISION_ENERGY=0.0 57.0698 19000.0 59.049 20000.0 67.0541 11000.0 69.0697 25000.0 70.0285 11000.0 72.0443 68000.0 73.0284 14000.0 85.0647 51000.0 87.0803 18000.0 90.0549 650000.0 91.0582 38000.0 95.0489 25000.0 98.0235 75000.0 100.039 17000.0 103.0752 66000.0 113.0597 16000.0 116.0341 110000.0 124.0755 80000.0 125.079 13000.0 142.0861 56000.0 160.0965 24000.0 166.0864 18000.0 174.1124 19000.0 184.0967 140000.0 185.0999 25000.0 202.1073 200000.0 203.1103 38000.0 220.1178 180000.0 221.1211 42000.0 END IONS BEGIN IONS SCANS=230 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=231 PEPMASS=137.0457 CHARGE=1 COLLISION_ENERGY=0.0 54.1057 10000.0 94.0396 19000.0 95.1366 12000.0 110.0351 38000.0 119.0353 41000.0 121.0645 16000.0 136.021 95000.0 136.0617 390000.0 136.1125 14000.0 137.0458 8100000.0 138.0499 260000.0 END IONS BEGIN IONS SCANS=232 PEPMASS=167.0925 CHARGE=1 COLLISION_ENERGY=0.0 81.0447 64000.0 122.0711 110000.0 139.0977 150000.0 167.0926 350000.0 167.1178 18000.0 168.0959 15000.0 END IONS BEGIN IONS SCANS=233 PEPMASS=159.0276 CHARGE=1 COLLISION_ENERGY=0.0 112.1122 15000.0 158.0963 11000.0 158.1537 15000.0 159.0278 220000.0 END IONS BEGIN IONS SCANS=234 PEPMASS=175.0015 CHARGE=1 COLLISION_ENERGY=0.0 156.1382 14000.0 END IONS BEGIN IONS SCANS=235 PEPMASS=83.0602 CHARGE=1 COLLISION_ENERGY=0.0 42.0338 13000.0 83.0604 2300000.0 84.0633 33000.0 END IONS BEGIN IONS SCANS=236 PEPMASS=159.0275 CHARGE=1 COLLISION_ENERGY=0.0 112.112 15000.0 158.0963 10000.0 159.0276 65000.0 END IONS BEGIN IONS SCANS=237 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=238 PEPMASS=269.1075 CHARGE=1 COLLISION_ENERGY=0.0 55.0177 80000.0 57.0335 190000.0 59.0491 29000.0 61.0284 28000.0 61.9509 13000.0 69.0334 41000.0 69.3061 15000.0 71.013 22000.0 73.0283 78000.0 85.0285 130000.0 87.044 32000.0 87.5393 13000.0 97.0283 45000.0 103.039 35000.0 115.0389 140000.0 117.4301 11000.0 119.0359 15000.0 127.4463 14000.0 128.5947 14000.0 133.0491 160000.0 136.062 16000000.0 137.0663 1500000.0 138.0622 13000.0 178.0727 22000.0 239.5719 12000.0 268.104 1400000.0 269.1068 380000.0 270.1089 12000.0 287.0923 12000.0 END IONS BEGIN IONS SCANS=239 PEPMASS=136.0616 CHARGE=1 COLLISION_ENERGY=0.0 135.0917 23000.0 136.0215 180000.0 136.0618 850000.0 136.1118 22000.0 137.0458 500000.0 137.0655 28000.0 END IONS BEGIN IONS SCANS=240 PEPMASS=268.1039 CHARGE=1 COLLISION_ENERGY=0.0 55.0178 140000.0 57.0335 250000.0 58.9246 42000.0 69.0334 68000.0 73.0285 160000.0 75.9033 44000.0 85.0284 210000.0 87.0439 44000.0 97.0285 80000.0 101.4125 42000.0 115.0392 210000.0 133.0492 320000.0 136.0618 30000000.0 137.066 730000.0 178.7204 39000.0 186.6429 38000.0 237.0146 37000.0 261.0937 41000.0 268.1038 3600000.0 269.1062 240000.0 END IONS BEGIN IONS SCANS=241 PEPMASS=124.0867 CHARGE=1 COLLISION_ENERGY=0.0 42.0338 10000.0 123.0551 39000.0 123.0915 73000.0 124.04 12000.0 124.0867 290000.0 125.0911 12000.0 END IONS BEGIN IONS SCANS=242 PEPMASS=206.0455 CHARGE=1 COLLISION_ENERGY=0.0 86.0965 12000.0 146.9722 36000.0 206.0456 74000.0 END IONS BEGIN IONS SCANS=243 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=244 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=245 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=246 PEPMASS=169.0581 CHARGE=1 COLLISION_ENERGY=0.0 134.0601 14000.0 152.0325 10000.0 152.0705 81000.0 169.0582 57000.0 170.0808 26000.0 170.0967 11000.0 END IONS BEGIN IONS SCANS=247 PEPMASS=147.0762 CHARGE=1 COLLISION_ENERGY=0.0 72.0806 15000.0 86.0599 83000.0 100.0216 21000.0 123.9642 48000.0 146.027 15000.0 END IONS BEGIN IONS SCANS=248 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=249 PEPMASS=251.15 CHARGE=1 COLLISION_ENERGY=0.0 86.0964 16000.0 110.0712 84000.0 166.0611 34000.0 178.1336 28000.0 223.1553 22000.0 251.0471 11000.0 251.15 170000.0 252.1531 13000.0 END IONS BEGIN IONS SCANS=250 PEPMASS=124.0867 CHARGE=1 COLLISION_ENERGY=0.0 123.0551 45000.0 123.0916 44000.0 124.04 13000.0 124.0771 10000.0 124.0867 280000.0 END IONS BEGIN IONS SCANS=251 PEPMASS=166.0721 CHARGE=1 COLLISION_ENERGY=0.0 120.0808 14000.0 148.0869 14000.0 149.046 21000.0 166.0724 290000.0 167.0564 23000.0 167.0919 19000.0 END IONS BEGIN IONS SCANS=252 PEPMASS=86.0963 CHARGE=1 COLLISION_ENERGY=0.0 86.0598 16000.0 86.0963 650000.0 87.0997 12000.0 END IONS BEGIN IONS SCANS=253 PEPMASS=162.0582 CHARGE=1 COLLISION_ENERGY=0.0 55.0178 19000.0 58.0651 260000.0 58.995 32000.0 73.0106 39000.0 76.0216 20000.0 86.9899 53000.0 99.0262 49000.0 105.0004 41000.0 116.0528 90000.0 145.0317 190000.0 162.0583 120000.0 END IONS BEGIN IONS SCANS=254 PEPMASS=158.0811 CHARGE=1 COLLISION_ENERGY=0.0 44.0494 200000.0 84.0807 11000.0 112.0756 180000.0 112.1118 18000.0 114.0545 13000.0 140.0704 89000.0 158.0811 1200000.0 158.1543 13000.0 159.0845 57000.0 END IONS BEGIN IONS SCANS=255 PEPMASS=124.0393 CHARGE=1 COLLISION_ENERGY=0.0 80.0494 57000.0 96.0444 26000.0 123.0551 50000.0 123.0913 33000.0 124.0394 4500000.0 124.0868 490000.0 125.0428 210000.0 125.0901 15000.0 END IONS BEGIN IONS SCANS=256 PEPMASS=131.1177 CHARGE=1 COLLISION_ENERGY=0.0 86.0964 230000.0 130.1589 34000.0 132.1021 10000.0 END IONS BEGIN IONS SCANS=257 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=258 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=259 PEPMASS=147.0301 CHARGE=1 COLLISION_ENERGY=0.0 42.0338 68000.0 57.9878 27000.0 58.9949 1500000.0 59.9947 27000.0 59.9984 43000.0 60.9909 52000.0 67.9832 11000.0 76.0214 80000.0 86.9898 2400000.0 87.9936 150000.0 88.9858 120000.0 100.0216 15000000.0 101.0253 1100000.0 102.0172 940000.0 102.0239 18000.0 105.0004 4800000.0 106.0041 320000.0 106.9962 300000.0 107.0047 23000.0 118.0318 89000.0 123.0106 17000.0 139.8262 13000.0 146.0271 12000000.0 147.0303 1500000.0 148.022 810000.0 END IONS BEGIN IONS SCANS=260 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=261 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=262 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=263 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=264 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=265 PEPMASS=237.1343 CHARGE=1 COLLISION_ENERGY=0.0 72.0807 21000.0 110.0712 130000.0 164.1181 40000.0 166.0611 55000.0 209.1397 42000.0 220.1086 16000.0 236.1227 12000.0 237.1346 250000.0 238.0122 15000.0 238.1382 19000.0 END IONS BEGIN IONS SCANS=266 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=267 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=268 PEPMASS=104.1069 CHARGE=1 COLLISION_ENERGY=0.0 40.7212 32000.0 45.0335 150000.0 58.0657 120000.0 60.0807 670000.0 65.5864 42000.0 75.4193 34000.0 104.107 30000000.0 105.1104 560000.0 END IONS BEGIN IONS SCANS=269 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=270 PEPMASS=105.1102 CHARGE=1 COLLISION_ENERGY=0.0 45.0334 120000.0 58.0657 64000.0 59.0727 24000.0 60.0807 610000.0 61.0839 25000.0 104.1069 18000000.0 105.1103 1500000.0 106.1116 24000.0 END IONS BEGIN IONS SCANS=271 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=272 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=273 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=274 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=275 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=276 PEPMASS=356.9922 CHARGE=1 COLLISION_ENERGY=0.0 144.0026 11000.0 189.9909 2500000.0 190.9936 95000.0 356.9906 14000.0 END IONS BEGIN IONS SCANS=277 PEPMASS=257.1006 CHARGE=1 COLLISION_ENERGY=0.0 257.1006 510000.0 258.1037 35000.0 END IONS BEGIN IONS SCANS=278 PEPMASS=235.1188 CHARGE=1 COLLISION_ENERGY=0.0 70.065 270000.0 82.0524 56000.0 83.0601 14000.0 95.0606 10000.0 110.0711 840000.0 111.0742 26000.0 121.039 21000.0 122.0711 10000.0 123.0553 13000.0 138.0661 68000.0 149.0703 13000.0 162.1024 190000.0 166.061 160000.0 190.0975 22000.0 207.1239 190000.0 217.108 80000.0 218.0913 17000.0 235.1187 3800000.0 236.1219 290000.0 END IONS BEGIN IONS SCANS=279 PEPMASS=104.1069 CHARGE=1 COLLISION_ENERGY=0.0 45.0334 59000.0 58.0656 50000.0 59.073 11000.0 60.0807 350000.0 104.107 14000000.0 105.1023 18000.0 105.1103 280000.0 END IONS BEGIN IONS SCANS=280 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=281 PEPMASS=146.0269 CHARGE=1 COLLISION_ENERGY=0.0 42.0338 150000.0 56.1307 76000.0 58.9949 2100000.0 65.3649 86000.0 86.9898 4500000.0 89.0682 83000.0 95.5109 100000.0 100.0215 28000000.0 101.0252 870000.0 105.0004 9800000.0 106.0036 150000.0 118.0318 200000.0 121.2117 73000.0 127.4491 77000.0 146.027 30000000.0 147.0303 1200000.0 END IONS BEGIN IONS SCANS=282 PEPMASS=189.9907 CHARGE=1 COLLISION_ENERGY=0.0 74.0982 10000.0 84.6588 10000.0 93.7871 12000.0 128.6721 11000.0 144.0032 27000.0 148.9639 15000.0 164.4669 10000.0 189.9909 1600000.0 190.9941 58000.0 END IONS BEGIN IONS SCANS=283 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=284 PEPMASS=104.1069 CHARGE=1 COLLISION_ENERGY=0.0 41.9628 32000.0 45.0335 190000.0 58.0659 97000.0 60.0807 800000.0 60.0843 59000.0 61.2605 31000.0 104.107 30000000.0 105.1104 570000.0 END IONS BEGIN IONS SCANS=285 PEPMASS=105.1102 CHARGE=1 COLLISION_ENERGY=0.0 45.0334 100000.0 58.0656 67000.0 59.0726 15000.0 60.0807 530000.0 61.0841 19000.0 104.107 16000000.0 105.1104 1300000.0 106.1118 24000.0 END IONS BEGIN IONS SCANS=286 PEPMASS=270.1921 CHARGE=1 COLLISION_ENERGY=0.0 60.0556 13000.0 98.0598 31000.0 135.0031 14000.0 141.1028 13000.0 182.1647 13000.0 183.149 140000.0 210.1594 19000.0 211.1439 560000.0 212.1474 33000.0 253.1656 77000.0 270.1922 520000.0 271.195 46000.0 END IONS BEGIN IONS SCANS=287 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=288 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=289 PEPMASS=307.0436 CHARGE=1 COLLISION_ENERGY=0.0 175.0016 230000.0 307.0438 170000.0 308.0475 16000.0 END IONS BEGIN IONS SCANS=290 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=291 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=292 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=293 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=294 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=295 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=296 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=297 PEPMASS=291.0697 CHARGE=1 COLLISION_ENERGY=0.0 100.632 20000.0 159.0278 14000000.0 160.0314 380000.0 291.0699 890000.0 292.0729 53000.0 END IONS BEGIN IONS SCANS=298 PEPMASS=257.1006 CHARGE=1 COLLISION_ENERGY=0.0 257.1007 360000.0 258.1036 27000.0 END IONS BEGIN IONS SCANS=299 PEPMASS=270.1921 CHARGE=1 COLLISION_ENERGY=0.0 183.1492 35000.0 211.1439 140000.0 253.1666 18000.0 270.1923 120000.0 END IONS BEGIN IONS SCANS=300 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=301 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=302 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=303 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=304 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=305 PEPMASS=235.1187 CHARGE=1 COLLISION_ENERGY=0.0 70.0651 230000.0 82.0525 45000.0 83.0603 12000.0 95.0602 11000.0 110.0712 730000.0 111.075 14000.0 123.0556 16000.0 138.0662 50000.0 162.1025 180000.0 166.0611 160000.0 190.0976 27000.0 207.1238 160000.0 208.127 11000.0 217.1085 78000.0 218.0924 20000.0 235.1189 2900000.0 236.1217 220000.0 END IONS BEGIN IONS SCANS=306 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=307 PEPMASS=146.0269 CHARGE=1 COLLISION_ENERGY=0.0 58.995 120000.0 86.9898 240000.0 100.0215 1600000.0 101.0251 39000.0 105.0004 540000.0 106.0033 11000.0 118.0319 12000.0 121.966 25000.0 123.9642 20000.0 146.027 1600000.0 147.0304 61000.0 END IONS BEGIN IONS SCANS=308 PEPMASS=314.0914 CHARGE=1 COLLISION_ENERGY=0.0 97.0283 400000.0 136.0618 730000.0 137.0649 16000.0 143.0162 30000.0 164.0566 68000.0 178.0724 33000.0 179.0373 19000.0 248.0784 11000.0 257.051 61000.0 296.0814 34000.0 314.0917 70000.0 END IONS BEGIN IONS SCANS=309 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=310 PEPMASS=269.0878 CHARGE=1 COLLISION_ENERGY=0.0 136.0618 93000.0 137.0458 1300000.0 138.0501 37000.0 183.1491 46000.0 211.1441 180000.0 253.1657 26000.0 270.1924 170000.0 END IONS BEGIN IONS SCANS=311 PEPMASS=270.1921 CHARGE=1 COLLISION_ENERGY=0.0 60.0556 14000.0 86.0965 11000.0 98.0601 25000.0 141.1021 12000.0 182.165 13000.0 183.1491 120000.0 210.1598 16000.0 211.144 490000.0 212.1474 36000.0 253.166 58000.0 270.1923 450000.0 271.1956 35000.0 END IONS BEGIN IONS SCANS=312 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=313 PEPMASS=137.0456 CHARGE=1 COLLISION_ENERGY=0.0 60.1885 51000.0 70.8801 55000.0 77.8336 52000.0 94.0399 160000.0 110.0347 300000.0 119.035 190000.0 136.0209 65000.0 137.0458 52000000.0 138.05 1800000.0 END IONS BEGIN IONS SCANS=314 PEPMASS=268.1037 CHARGE=1 COLLISION_ENERGY=0.0 136.0617 330000.0 137.0462 19000.0 268.1041 25000.0 END IONS BEGIN IONS SCANS=315 PEPMASS=163.0534 CHARGE=1 COLLISION_ENERGY=0.0 42.0338 24000.0 58.9949 27000.0 59.0603 160000.0 76.0215 76000.0 86.9898 60000.0 100.0214 78000.0 105.0003 100000.0 117.0479 84000.0 122.0268 62000.0 129.0662 17000.0 146.027 50000.0 163.0535 400000.0 164.056 13000.0 END IONS BEGIN IONS SCANS=316 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=317 PEPMASS=152.0565 CHARGE=1 COLLISION_ENERGY=0.0 59.3232 11000.0 109.0507 45000.0 110.0348 200000.0 110.0439 19000.0 128.0454 69000.0 134.0464 23000.0 135.0299 350000.0 136.0333 17000.0 152.0567 9200000.0 153.0405 470000.0 153.0593 380000.0 154.0437 21000.0 171.2754 11000.0 END IONS BEGIN IONS SCANS=318 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=319 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=320 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=321 PEPMASS=148.0426 CHARGE=1 COLLISION_ENERGY=0.0 44.0494 2100000.0 44.1706 12000.0 45.0527 37000.0 46.6693 12000.0 55.0178 97000.0 58.9949 440000.0 65.0972 12000.0 74.6088 10000.0 75.0259 14000.0 76.0215 430000.0 78.5822 11000.0 82.8762 11000.0 83.4965 11000.0 85.0105 850000.0 86.014 16000.0 86.9898 750000.0 87.9933 20000.0 88.0391 83000.0 89.0053 35000.0 89.7198 12000.0 101.0249 17000.0 102.0175 38000.0 102.0371 1500000.0 103.0406 58000.0 105.0003 690000.0 106.0041 15000.0 113.0058 14000.0 120.0474 54000.0 131.016 1300000.0 132.0192 63000.0 147.03 23000.0 148.0425 2100000.0 149.0231 43000.0 149.0459 94000.0 END IONS BEGIN IONS SCANS=322 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=323 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=324 PEPMASS=213.0867 CHARGE=1 COLLISION_ENERGY=0.0 70.0652 11000.0 125.0709 330000.0 153.0659 110000.0 195.0764 580000.0 196.0796 32000.0 213.0872 46000.0 214.1099 15000.0 END IONS BEGIN IONS SCANS=325 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=326 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=327 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=328 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=329 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=330 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=331 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=332 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=333 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=334 PEPMASS=245.1857 CHARGE=1 COLLISION_ENERGY=0.0 69.0697 17000.0 86.0964 470000.0 87.0998 13000.0 132.1017 14000.0 245.1859 12000.0 END IONS BEGIN IONS SCANS=335 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=336 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=337 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=338 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=339 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=340 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=341 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=342 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=343 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=344 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=345 PEPMASS=134.1174 CHARGE=1 COLLISION_ENERGY=0.0 45.0334 14000.0 72.0807 86000.0 86.0963 40000.0 90.0912 190000.0 134.1175 3200000.0 135.1211 140000.0 END IONS BEGIN IONS SCANS=346 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=347 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=348 PEPMASS=163.0534 CHARGE=1 COLLISION_ENERGY=0.0 42.0338 24000.0 44.0494 11000.0 58.995 23000.0 59.0603 150000.0 76.0215 76000.0 86.9897 57000.0 100.0214 60000.0 105.0004 78000.0 117.048 72000.0 120.011 12000.0 122.0269 55000.0 129.0659 13000.0 146.0269 42000.0 163.0535 390000.0 164.0566 15000.0 END IONS BEGIN IONS SCANS=349 PEPMASS=137.0456 CHARGE=1 COLLISION_ENERGY=0.0 136.0215 67000.0 136.0619 56000.0 137.0458 1500000.0 138.0496 49000.0 END IONS BEGIN IONS SCANS=350 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=351 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=352 PEPMASS=268.1038 CHARGE=1 COLLISION_ENERGY=0.0 136.0618 320000.0 268.1038 35000.0 END IONS BEGIN IONS SCANS=353 PEPMASS=229.118 CHARGE=1 COLLISION_ENERGY=0.0 72.0808 140000.0 84.0444 140000.0 118.0862 120000.0 138.0912 13000.0 155.1183 12000.0 183.1128 170000.0 184.1158 11000.0 229.1194 19000.0 END IONS BEGIN IONS SCANS=354 PEPMASS=245.1857 CHARGE=1 COLLISION_ENERGY=0.0 69.0699 15000.0 86.0964 440000.0 132.1019 16000.0 245.1855 10000.0 END IONS BEGIN IONS SCANS=355 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=356 PEPMASS=200.1028 CHARGE=1 COLLISION_ENERGY=0.0 56.0494 16000.0 74.0964 12000.0 87.0439 41000.0 114.066 24000.0 122.0602 12000.0 136.0756 17000.0 137.0706 11000.0 140.0703 26000.0 154.0853 42000.0 154.0978 160000.0 182.0932 120000.0 200.1049 190000.0 201.1083 11000.0 END IONS BEGIN IONS SCANS=357 PEPMASS=268.1038 CHARGE=1 COLLISION_ENERGY=0.0 136.0618 210000.0 268.1039 33000.0 END IONS BEGIN IONS SCANS=358 PEPMASS=270.1922 CHARGE=1 COLLISION_ENERGY=0.0 98.0597 10000.0 183.1491 37000.0 211.1439 170000.0 212.1474 11000.0 253.1656 24000.0 270.1919 140000.0 271.1954 13000.0 END IONS BEGIN IONS SCANS=359 PEPMASS=189.9908 CHARGE=1 COLLISION_ENERGY=0.0 189.9908 160000.0 END IONS BEGIN IONS SCANS=360 PEPMASS=134.1174 CHARGE=1 COLLISION_ENERGY=0.0 72.0807 88000.0 86.0963 39000.0 90.0913 150000.0 134.1176 2600000.0 135.1211 120000.0 END IONS BEGIN IONS SCANS=361 PEPMASS=242.1861 CHARGE=1 COLLISION_ENERGY=0.0 84.0807 21000.0 86.0964 15000.0 112.0756 10000.0 141.1023 30000.0 169.0969 10000.0 197.1647 32000.0 225.1597 160000.0 226.1627 13000.0 242.1863 81000.0 END IONS BEGIN IONS SCANS=362 PEPMASS=304.1765 CHARGE=1 COLLISION_ENERGY=0.0 98.0599 14000.0 120.0809 10000.0 217.1334 59000.0 244.145 14000.0 245.1284 240000.0 246.1314 18000.0 287.1503 30000.0 304.1766 170000.0 305.1812 15000.0 END IONS BEGIN IONS SCANS=363 PEPMASS=172.1329 CHARGE=1 COLLISION_ENERGY=0.0 112.112 430000.0 113.1157 14000.0 171.1492 21000.0 172.1331 680000.0 173.1364 38000.0 END IONS BEGIN IONS SCANS=364 PEPMASS=189.9906 CHARGE=1 COLLISION_ENERGY=0.0 119.0686 13000.0 144.1019 13000.0 145.0844 14000.0 146.06 13000.0 147.0634 57000.0 189.0738 23000.0 189.9908 130000.0 END IONS BEGIN IONS SCANS=365 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=366 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=367 PEPMASS=159.0914 CHARGE=1 COLLISION_ENERGY=0.0 112.1118 19000.0 114.0369 12000.0 130.065 42000.0 132.0807 190000.0 142.065 32000.0 158.0824 12000.0 159.0916 410000.0 160.0756 28000.0 160.0947 26000.0 END IONS BEGIN IONS SCANS=368 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=369 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=370 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=371 PEPMASS=120.0806 CHARGE=1 COLLISION_ENERGY=0.0 42.0338 20000.0 77.039 12000.0 79.0542 19000.0 91.054 80000.0 93.0697 350000.0 94.0732 21000.0 103.0541 950000.0 104.0576 45000.0 118.0652 31000.0 119.073 16000.0 120.0808 14000000.0 121.0397 12000.0 121.0842 690000.0 END IONS BEGIN IONS SCANS=372 PEPMASS=167.0894 CHARGE=1 COLLISION_ENERGY=0.0 77.0394 12000.0 79.0542 16000.0 91.0547 17000.0 93.0696 27000.0 103.054 230000.0 104.0574 34000.0 105.0368 30000.0 107.0489 180000.0 108.0525 21000.0 120.0807 8500000.0 121.0842 1200000.0 122.0874 23000.0 131.049 300000.0 132.0522 53000.0 149.0595 130000.0 150.0632 22000.0 166.086 460000.0 167.0898 78000.0 END IONS BEGIN IONS SCANS=373 PEPMASS=266.0744 CHARGE=1 COLLISION_ENERGY=0.0 72.0808 110000.0 134.0324 2100000.0 135.0368 34000.0 155.0326 27000.0 166.086 21000.0 266.0746 610000.0 267.0781 21000.0 END IONS BEGIN IONS SCANS=374 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=375 PEPMASS=249.0607 CHARGE=1 COLLISION_ENERGY=0.0 117.9877 12000.0 118.9956 15000.0 249.061 610000.0 250.0645 41000.0 END IONS BEGIN IONS SCANS=376 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=377 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=378 PEPMASS=205.097 CHARGE=1 COLLISION_ENERGY=0.0 118.0649 81000.0 130.0653 18000.0 132.0806 85000.0 142.0654 14000.0 143.0724 10000.0 144.0806 230000.0 145.0853 19000.0 146.0599 1200000.0 147.0634 62000.0 159.0916 150000.0 160.0761 11000.0 170.0599 69000.0 188.0705 1700000.0 189.0739 120000.0 205.0969 25000.0 END IONS BEGIN IONS SCANS=379 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=380 PEPMASS=188.0704 CHARGE=1 COLLISION_ENERGY=0.0 45.822 12000.0 50.6267 11000.0 58.9851 13000.0 59.9043 13000.0 82.3246 12000.0 91.055 18000.0 106.7931 12000.0 115.0538 16000.0 117.0589 11000.0 117.0698 61000.0 118.065 790000.0 119.0685 24000.0 132.0804 23000.0 137.2975 11000.0 142.0648 120000.0 143.0728 110000.0 144.0443 33000.0 144.0807 920000.0 145.0647 15000.0 145.0844 61000.0 146.06 4600000.0 147.0635 190000.0 160.076 38000.0 170.0599 320000.0 170.0769 22000.0 171.063 16000.0 188.0705 1700000.0 189.0741 89000.0 END IONS BEGIN IONS SCANS=381 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=382 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=383 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=384 PEPMASS=188.0704 CHARGE=1 COLLISION_ENERGY=0.0 115.0547 12000.0 117.0695 44000.0 118.0649 590000.0 119.0687 20000.0 132.0808 12000.0 142.0649 79000.0 143.0728 83000.0 144.0453 18000.0 144.0806 640000.0 145.0837 24000.0 146.06 2900000.0 147.0634 120000.0 160.0755 34000.0 170.0599 210000.0 171.0633 11000.0 188.0704 1100000.0 189.0735 59000.0 END IONS BEGIN IONS SCANS=385 PEPMASS=266.0744 CHARGE=1 COLLISION_ENERGY=0.0 72.0807 170000.0 120.0806 22000.0 122.0711 25000.0 134.0324 860000.0 135.0363 17000.0 166.086 27000.0 266.0746 220000.0 END IONS BEGIN IONS SCANS=386 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=387 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=388 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=389 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=390 PEPMASS=166.0861 CHARGE=1 COLLISION_ENERGY=0.0 40.3284 28000.0 40.447 24000.0 40.5267 25000.0 40.9589 27000.0 41.6186 25000.0 56.073 26000.0 67.9322 31000.0 91.0546 32000.0 103.054 490000.0 105.0364 50000.0 107.0489 430000.0 120.0807 23000000.0 121.0842 1300000.0 127.5372 29000.0 131.0489 890000.0 132.0526 58000.0 149.0597 420000.0 150.0621 43000.0 161.0719 34000.0 162.2863 31000.0 166.086 1500000.0 167.0892 98000.0 END IONS BEGIN IONS SCANS=391 PEPMASS=146.0268 CHARGE=1 COLLISION_ENERGY=0.0 58.9949 120000.0 72.0807 12000.0 76.0214 11000.0 86.9899 220000.0 100.0215 1400000.0 101.0253 35000.0 105.0004 470000.0 118.032 12000.0 118.0654 23000.0 121.9659 35000.0 123.9641 27000.0 146.027 1400000.0 147.0303 52000.0 END IONS BEGIN IONS SCANS=392 PEPMASS=120.0806 CHARGE=1 COLLISION_ENERGY=0.0 42.0337 25000.0 46.5204 13000.0 56.8822 13000.0 66.1624 11000.0 77.039 20000.0 78.7958 12000.0 79.0542 17000.0 91.0541 110000.0 93.0697 480000.0 94.0729 18000.0 103.0541 1300000.0 104.0577 69000.0 118.0652 39000.0 119.0701 20000.0 120.0808 19000000.0 121.0841 990000.0 END IONS BEGIN IONS SCANS=393 PEPMASS=176.1133 CHARGE=1 COLLISION_ENERGY=0.0 100.0934 10000.0 111.081 110000.0 114.0725 84000.0 128.1008 82000.0 129.1047 4600000.0 140.0794 140000.0 158.0899 72000.0 176.1134 300000.0 END IONS BEGIN IONS SCANS=394 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=395 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=396 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=397 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=398 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=399 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=400 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=401 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=402 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=403 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=404 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=405 PEPMASS=124.0867 CHARGE=1 COLLISION_ENERGY=0.0 42.0338 97000.0 83.0603 23000.0 123.0551 32000.0 123.0915 33000.0 124.0399 24000.0 124.0868 660000.0 125.091 20000.0 END IONS BEGIN IONS SCANS=406 PEPMASS=242.186 CHARGE=1 COLLISION_ENERGY=0.0 84.0807 29000.0 86.0964 24000.0 112.0756 17000.0 141.1022 61000.0 197.1648 52000.0 225.1597 240000.0 226.1633 18000.0 242.1862 120000.0 END IONS BEGIN IONS SCANS=407 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=408 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=409 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=410 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=411 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=412 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=413 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=414 PEPMASS=167.0894 CHARGE=1 COLLISION_ENERGY=0.0 79.0543 14000.0 93.0696 15000.0 103.0541 140000.0 104.0576 25000.0 105.0369 32000.0 107.049 100000.0 108.0529 15000.0 120.0808 5200000.0 121.0842 1000000.0 122.0882 21000.0 131.049 180000.0 132.0523 40000.0 149.0595 75000.0 150.0631 17000.0 166.0861 310000.0 167.0735 16000.0 167.0896 75000.0 END IONS BEGIN IONS SCANS=415 PEPMASS=188.0704 CHARGE=1 COLLISION_ENERGY=0.0 117.0699 25000.0 118.065 340000.0 119.0686 12000.0 142.0652 40000.0 143.0729 53000.0 144.044 15000.0 144.0806 380000.0 145.0838 16000.0 146.0599 1800000.0 147.0636 78000.0 160.0762 22000.0 170.0599 130000.0 188.0704 610000.0 189.0743 34000.0 END IONS BEGIN IONS SCANS=416 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=417 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=418 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=419 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=420 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=421 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=422 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=423 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=424 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=425 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=426 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=427 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=428 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=429 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=430 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=431 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=432 PEPMASS=132.1018 CHARGE=1 COLLISION_ENERGY=0.0 43.0548 240000.0 44.0495 590000.0 45.1734 66000.0 51.1158 62000.0 56.0499 73000.0 86.0964 81000000.0 87.0995 840000.0 132.1018 3100000.0 132.4988 69000.0 133.1051 8800000.0 END IONS BEGIN IONS SCANS=433 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=434 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=435 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=436 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=437 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=438 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=439 PEPMASS=134.1084 CHARGE=1 COLLISION_ENERGY=0.0 41.0388 54000.0 43.0422 37000.0 43.0541 270000.0 44.0495 830000.0 44.0518 60000.0 47.2298 31000.0 56.0498 43000.0 69.0698 85000.0 72.0971 35000.0 73.0649 38000.0 86.0964 54000000.0 87.0937 440000.0 87.0996 8200000.0 88.1027 150000.0 119.9303 32000.0 133.1052 6300000.0 134.1087 890000.0 135.1101 60000.0 END IONS BEGIN IONS SCANS=440 PEPMASS=133.1051 CHARGE=1 COLLISION_ENERGY=0.0 42.4863 190000.0 43.0544 400000.0 44.0495 1400000.0 47.964 180000.0 56.0496 200000.0 58.2369 170000.0 62.6568 190000.0 75.6612 200000.0 77.5675 210000.0 82.3559 170000.0 86.0964 150000000.0 87.0935 570000.0 87.0996 7700000.0 132.1016 2000000.0 133.1051 16000000.0 134.1083 770000.0 END IONS BEGIN IONS SCANS=441 PEPMASS=132.1018 CHARGE=1 COLLISION_ENERGY=0.0 43.0545 320000.0 44.0494 1400000.0 45.772 170000.0 86.0964 140000000.0 87.0995 1600000.0 132.1018 4500000.0 133.1052 14000000.0 END IONS BEGIN IONS SCANS=442 PEPMASS=254.1609 CHARGE=1 COLLISION_ENERGY=0.0 51.6668 10000.0 70.0651 33000.0 98.0602 32000.0 112.0871 13000.0 125.0709 66000.0 166.1339 34000.0 167.1179 170000.0 185.1038 15000.0 194.1061 16000.0 194.1287 300000.0 194.1504 19000.0 195.1128 2900000.0 196.1162 180000.0 212.1387 39000.0 220.1081 22000.0 237.1342 140000.0 253.1531 22000.0 254.1611 2500000.0 255.1642 190000.0 END IONS BEGIN IONS SCANS=443 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=444 PEPMASS=86.0963 CHARGE=1 COLLISION_ENERGY=0.0 41.0386 550000.0 42.0337 160000.0 43.0542 1700000.0 44.0494 4900000.0 57.6371 63000.0 69.0699 280000.0 71.248 58000.0 78.7363 53000.0 86.0964 18000000.0 87.0997 340000.0 END IONS BEGIN IONS SCANS=445 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=446 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=447 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=448 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=449 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=450 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=451 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=452 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=453 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=454 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=455 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=456 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=457 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=458 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=459 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=460 PEPMASS=231.17 CHARGE=1 COLLISION_ENERGY=0.0 55.0542 16000.0 69.0699 28000.0 72.0807 480000.0 86.0963 1000000.0 87.0995 28000.0 118.0862 16000.0 132.1015 38000.0 185.1649 29000.0 231.1705 46000.0 END IONS BEGIN IONS SCANS=461 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=462 PEPMASS=86.0964 CHARGE=1 COLLISION_ENERGY=0.0 41.0385 310000.0 42.0339 42000.0 43.0542 960000.0 44.0389 31000.0 44.0494 2900000.0 45.0525 27000.0 49.5176 25000.0 69.0699 150000.0 71.6478 25000.0 76.335 23000.0 86.0964 9000000.0 87.0997 130000.0 107.8476 23000.0 END IONS BEGIN IONS SCANS=463 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=464 PEPMASS=132.1018 CHARGE=1 COLLISION_ENERGY=0.0 41.039 110000.0 43.0548 240000.0 44.0494 560000.0 86.0964 80000000.0 87.0996 970000.0 88.8181 88000.0 98.8861 70000.0 116.5823 80000.0 131.3042 81000.0 132.1018 3800000.0 133.1051 11000000.0 END IONS BEGIN IONS SCANS=465 PEPMASS=133.1051 CHARGE=1 COLLISION_ENERGY=0.0 43.0548 390000.0 44.0494 1200000.0 51.831 150000.0 86.0964 120000000.0 87.0935 340000.0 87.0996 5500000.0 87.254 180000.0 132.1017 2000000.0 133.1051 15000000.0 134.1082 740000.0 END IONS BEGIN IONS SCANS=466 PEPMASS=134.1084 CHARGE=1 COLLISION_ENERGY=0.0 41.0386 38000.0 43.0424 21000.0 43.0542 140000.0 44.0494 470000.0 44.0579 18000.0 45.0528 27000.0 51.7203 18000.0 56.0499 32000.0 69.0697 41000.0 86.0964 31000000.0 87.0936 280000.0 87.0996 4500000.0 88.103 81000.0 133.1051 4300000.0 134.1087 530000.0 135.11 47000.0 136.7208 19000.0 END IONS BEGIN IONS SCANS=467 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=468 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=469 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=470 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=471 PEPMASS=231.17 CHARGE=1 COLLISION_ENERGY=0.0 55.0542 32000.0 69.0699 46000.0 72.0807 1100000.0 73.0842 25000.0 86.0964 1500000.0 87.0997 54000.0 118.0864 26000.0 132.1018 87000.0 185.1643 49000.0 231.1703 100000.0 END IONS BEGIN IONS SCANS=472 PEPMASS=177.0689 CHARGE=1 COLLISION_ENERGY=0.0 129.1045 39000.0 176.0659 25000.0 177.069 190000.0 END IONS BEGIN IONS SCANS=473 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=474 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=475 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=476 PEPMASS=146.0268 CHARGE=1 COLLISION_ENERGY=0.0 46.0651 35000.0 55.0542 29000.0 58.9949 110000.0 60.0557 10000.0 83.0491 21000.0 84.0807 26000.0 86.0599 100000.0 86.9898 200000.0 100.0214 1200000.0 101.0258 26000.0 101.0596 120000.0 105.0004 370000.0 121.9657 23000.0 123.9641 21000.0 128.082 29000.0 128.1068 44000.0 145.1081 44000.0 146.0269 970000.0 146.1174 380000.0 147.0302 40000.0 147.1207 15000.0 END IONS BEGIN IONS SCANS=477 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=478 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=479 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=480 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=481 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=482 PEPMASS=170.061 CHARGE=1 COLLISION_ENERGY=0.0 97.0446 35000.0 124.0556 180000.0 125.0396 280000.0 126.043 14000.0 133.0283 14000.0 153.0345 430000.0 154.0375 27000.0 170.0614 37000.0 170.0967 20000.0 171.1124 13000.0 END IONS BEGIN IONS SCANS=483 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=484 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=485 PEPMASS=322.0544 CHARGE=1 COLLISION_ENERGY=0.0 190.0124 32000.0 322.0549 72000.0 END IONS BEGIN IONS SCANS=486 PEPMASS=306.0807 CHARGE=1 COLLISION_ENERGY=0.0 174.0386 3400000.0 175.0416 120000.0 306.0807 570000.0 307.0838 43000.0 END IONS BEGIN IONS SCANS=487 PEPMASS=284.0987 CHARGE=1 COLLISION_ENERGY=0.0 152.0566 720000.0 153.0608 18000.0 END IONS BEGIN IONS SCANS=488 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=489 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=490 PEPMASS=254.161 CHARGE=1 COLLISION_ENERGY=0.0 70.0651 25000.0 98.06 22000.0 125.0708 74000.0 166.1332 22000.0 167.1178 160000.0 168.1218 13000.0 194.1288 300000.0 195.1127 2900000.0 196.1161 160000.0 212.1391 31000.0 220.1077 21000.0 237.1346 140000.0 254.161 2200000.0 255.1638 170000.0 END IONS BEGIN IONS SCANS=491 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=492 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=493 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=494 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=495 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=496 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=497 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=498 PEPMASS=228.1704 CHARGE=1 COLLISION_ENERGY=0.0 72.0807 45000.0 84.0807 74000.0 85.0395 11000.0 86.0963 55000.0 99.0917 29000.0 112.0756 36000.0 116.0706 88000.0 127.0865 170000.0 129.1023 20000.0 138.1278 24000.0 155.0818 19000.0 183.1492 120000.0 211.1441 620000.0 212.1472 46000.0 227.139 14000.0 228.1706 310000.0 229.1761 21000.0 END IONS BEGIN IONS SCANS=499 PEPMASS=254.1609 CHARGE=1 COLLISION_ENERGY=0.0 70.0652 51000.0 97.0759 32000.0 98.0601 39000.0 112.0871 12000.0 125.0711 81000.0 166.1338 120000.0 167.1178 320000.0 177.1028 13000.0 185.1035 33000.0 192.114 10000.0 194.1287 1400000.0 195.1127 2200000.0 195.1308 95000.0 196.1157 120000.0 205.888 11000.0 209.1398 28000.0 212.1398 59000.0 220.1079 120000.0 237.1347 220000.0 238.1373 13000.0 254.1611 3100000.0 255.1641 230000.0 END IONS BEGIN IONS SCANS=500 PEPMASS=176.0656 CHARGE=1 COLLISION_ENERGY=0.0 129.1047 26000.0 176.0657 440000.0 177.0695 22000.0 END IONS BEGIN IONS SCANS=501 PEPMASS=86.0963 CHARGE=1 COLLISION_ENERGY=0.0 41.0385 110000.0 43.0541 34000.0 44.0494 810000.0 57.0572 41000.0 58.065 57000.0 67.0541 10000.0 69.0698 1600000.0 70.0733 40000.0 86.0964 5300000.0 86.9086 80000.0 87.0935 14000.0 87.0996 100000.0 END IONS BEGIN IONS SCANS=502 PEPMASS=132.1018 CHARGE=1 COLLISION_ENERGY=0.0 44.0494 180000.0 45.974 24000.0 56.05 23000.0 57.0575 26000.0 69.065 32000.0 69.0698 610000.0 86.0964 19000000.0 87.0933 44000.0 87.0995 720000.0 111.8122 26000.0 114.0913 54000.0 132.1018 1600000.0 133.105 290000.0 134.7803 25000.0 END IONS BEGIN IONS SCANS=503 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=504 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=505 PEPMASS=133.1052 CHARGE=1 COLLISION_ENERGY=0.0 41.0388 19000.0 44.0494 220000.0 54.4288 11000.0 56.05 39000.0 57.0575 16000.0 58.0652 28000.0 69.0698 720000.0 70.0732 75000.0 73.0649 12000.0 74.7682 10000.0 86.0964 17000000.0 87.0935 110000.0 87.0996 1900000.0 88.0214 44000.0 88.1032 23000.0 115.0947 15000.0 126.3728 12000.0 132.1018 1200000.0 133.1053 410000.0 134.0269 23000.0 134.108 26000.0 134.1213 11000.0 135.4572 10000.0 END IONS BEGIN IONS SCANS=506 PEPMASS=132.1018 CHARGE=1 COLLISION_ENERGY=0.0 44.0494 350000.0 56.0501 53000.0 69.0698 1200000.0 86.0964 35000000.0 87.0937 83000.0 87.0996 1400000.0 98.09 47000.0 111.8993 46000.0 114.0916 140000.0 130.4515 46000.0 132.1018 3500000.0 133.1051 430000.0 END IONS BEGIN IONS SCANS=507 PEPMASS=86.0963 CHARGE=1 COLLISION_ENERGY=0.0 41.0385 220000.0 43.0541 45000.0 44.0494 1400000.0 53.676 14000.0 57.0571 71000.0 58.0652 98000.0 61.9632 14000.0 62.5736 12000.0 67.054 20000.0 67.959 13000.0 69.0698 2800000.0 70.0732 48000.0 86.0964 8000000.0 86.9085 160000.0 87.0996 160000.0 94.7829 13000.0 END IONS BEGIN IONS SCANS=508 PEPMASS=192.0395 CHARGE=1 COLLISION_ENERGY=0.0 192.0401 16000.0 END IONS BEGIN IONS SCANS=509 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=510 PEPMASS=254.1609 CHARGE=1 COLLISION_ENERGY=0.0 70.065 17000.0 98.06 15000.0 125.0709 29000.0 166.1336 41000.0 167.1178 110000.0 194.1287 480000.0 195.1127 730000.0 195.1311 31000.0 196.116 40000.0 212.1396 19000.0 220.1078 38000.0 237.1344 70000.0 254.161 910000.0 255.164 69000.0 END IONS BEGIN IONS SCANS=511 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=512 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=513 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=514 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=515 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=516 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=517 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=518 PEPMASS=208.0135 CHARGE=1 COLLISION_ENERGY=0.0 122.9248 16000.0 124.9225 25000.0 208.0137 75000.0 END IONS BEGIN IONS SCANS=519 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=520 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=521 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=522 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=523 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=524 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=525 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=526 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=527 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=528 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=529 PEPMASS=122.9244 CHARGE=1 COLLISION_ENERGY=0.0 122.0713 15000.0 122.9244 110000.0 123.0554 49000.0 123.092 36000.0 124.087 100000.0 END IONS BEGIN IONS SCANS=530 PEPMASS=458.7694 CHARGE=1 COLLISION_ENERGY=0.0 122.9244 430000.0 206.8859 120000.0 END IONS BEGIN IONS SCANS=531 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=532 PEPMASS=206.8857 CHARGE=1 COLLISION_ENERGY=0.0 122.9244 410000.0 END IONS BEGIN IONS SCANS=533 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=534 PEPMASS=542.7307 CHARGE=1 COLLISION_ENERGY=0.0 122.9244 780000.0 206.8858 420000.0 290.8474 58000.0 END IONS BEGIN IONS SCANS=535 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=536 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=537 PEPMASS=290.847 CHARGE=1 COLLISION_ENERGY=0.0 122.9244 960000.0 206.8854 33000.0 END IONS BEGIN IONS SCANS=538 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=539 PEPMASS=292.8449 CHARGE=1 COLLISION_ENERGY=0.0 122.9244 150000.0 124.9224 120000.0 END IONS BEGIN IONS SCANS=540 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=541 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=542 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=543 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=544 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=545 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=546 PEPMASS=118.0861 CHARGE=1 COLLISION_ENERGY=0.0 49.4106 480000.0 53.0625 410000.0 56.5462 440000.0 58.0651 4000000.0 59.0729 11000000.0 75.4792 450000.0 106.2139 450000.0 115.1165 470000.0 118.0863 560000000.0 119.0794 960000.0 119.0897 17000000.0 END IONS BEGIN IONS SCANS=547 PEPMASS=119.0894 CHARGE=1 COLLISION_ENERGY=0.0 42.0347 30000.0 48.9847 30000.0 53.7976 31000.0 58.065 1300000.0 59.0728 3300000.0 60.0764 120000.0 118.0862 180000000.0 119.0898 15000000.0 120.0904 750000.0 END IONS BEGIN IONS SCANS=548 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=549 PEPMASS=158.04 CHARGE=1 COLLISION_ENERGY=0.0 40.9612 270000.0 74.0964 40000.0 75.0996 15000.0 86.0963 12000.0 98.9664 14000.0 112.0519 10000.0 112.1116 34000.0 113.0556 24000.0 114.0504 88000.0 131.0659 19000.0 132.0608 76000.0 157.0456 300000.0 158.04 780000.0 158.0964 21000.0 158.1164 20000.0 159.0431 30000.0 END IONS BEGIN IONS SCANS=550 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=551 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=552 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=553 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=554 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=555 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=556 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=557 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=558 PEPMASS=118.0861 CHARGE=1 COLLISION_ENERGY=0.0 46.5722 760000.0 46.8289 700000.0 58.0652 5600000.0 59.0729 15000000.0 59.6378 730000.0 94.2426 650000.0 118.0863 660000000.0 119.0898 23000000.0 END IONS BEGIN IONS SCANS=559 PEPMASS=156.042 CHARGE=1 COLLISION_ENERGY=0.0 43.495 49000.0 43.7693 53000.0 55.0709 51000.0 55.9076 50000.0 56.0495 360000.0 64.0003 58000.0 66.0253 150000.0 70.9894 57000.0 74.0911 88000.0 74.0963 730000.0 81.697 57000.0 92.0408 57000.0 96.9686 260000.0 102.0551 160000.0 103.5482 47000.0 109.0674 590000.0 112.0521 960000.0 130.0629 1100000.0 138.0461 350000.0 155.0724 110000.0 156.042 13000000.0 157.0456 650000.0 176.4132 63000.0 END IONS BEGIN IONS SCANS=560 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=561 PEPMASS=133.105 CHARGE=1 COLLISION_ENERGY=0.0 44.0494 22000.0 69.0699 15000.0 86.0964 1700000.0 87.0996 100000.0 132.1017 55000.0 133.1051 150000.0 END IONS BEGIN IONS SCANS=562 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=563 PEPMASS=119.0894 CHARGE=1 COLLISION_ENERGY=0.0 41.8195 64000.0 42.0328 63000.0 42.0346 68000.0 47.5213 49000.0 53.5337 56000.0 55.2461 60000.0 55.2487 90000.0 58.0616 170000.0 58.065 4300000.0 59.0728 10000000.0 60.0701 69000.0 60.0761 420000.0 60.0787 45000.0 118.0861 430000000.0 119.0898 38000000.0 120.0905 1600000.0 END IONS BEGIN IONS SCANS=564 PEPMASS=235.165 CHARGE=1 COLLISION_ENERGY=0.0 89.1098 54000.0 95.9567 50000.0 118.0861 16000000.0 118.183 56000.0 119.09 440000.0 132.1019 170000.0 138.2521 55000.0 205.3227 45000.0 235.165 130000.0 END IONS BEGIN IONS SCANS=565 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=566 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=567 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=568 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=569 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=570 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=571 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=572 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=573 PEPMASS=273.1208 CHARGE=1 COLLISION_ENERGY=0.0 53.1898 31000.0 53.2846 25000.0 59.9092 24000.0 74.0965 110000.0 75.3124 22000.0 96.9689 30000.0 98.5065 29000.0 109.638 26000.0 112.0523 210000.0 130.0627 170000.0 148.5533 29000.0 156.0422 25000000.0 157.0457 660000.0 273.1219 74000.0 END IONS BEGIN IONS SCANS=574 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=575 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=576 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=577 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=578 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=579 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=580 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=581 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=582 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=583 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=584 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=585 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=586 PEPMASS=150.0581 CHARGE=1 COLLISION_ENERGY=0.0 56.0494 630000.0 57.0529 10000.0 61.0106 280000.0 74.0237 36000.0 74.0601 41000.0 77.0247 18000.0 84.0443 26000.0 85.0284 28000.0 87.0262 73000.0 102.0549 240000.0 104.0527 1000000.0 105.0372 11000.0 105.056 33000.0 123.0301 17000.0 133.0316 650000.0 134.0349 21000.0 149.0231 15000.0 150.0582 210000.0 151.0609 49000.0 END IONS BEGIN IONS SCANS=587 PEPMASS=257.1468 CHARGE=1 COLLISION_ENERGY=0.0 55.7858 30000.0 56.7692 36000.0 59.041 44000.0 61.4698 37000.0 63.1612 35000.0 69.3174 35000.0 73.4508 32000.0 74.0965 350000.0 87.2712 32000.0 88.7843 32000.0 93.7237 34000.0 114.089 51000.0 140.0681 18000000.0 141.0718 490000.0 231.1674 48000.0 257.1469 870000.0 258.1501 57000.0 270.5771 33000.0 END IONS BEGIN IONS SCANS=588 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=589 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=590 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=591 PEPMASS=163.0534 CHARGE=1 COLLISION_ENERGY=0.0 40.4309 140000.0 42.0338 860000.0 42.7561 170000.0 45.0001 140000.0 55.1092 140000.0 58.995 1100000.0 59.0603 6300000.0 68.3028 140000.0 71.4077 150000.0 73.9417 150000.0 76.0215 3000000.0 83.0601 350000.0 86.9898 2400000.0 93.9508 150000.0 96.4616 150000.0 99.0556 170000.0 100.0215 2700000.0 105.0004 3500000.0 112.0394 270000.0 117.048 3400000.0 118.0317 230000.0 122.0269 3000000.0 124.4536 150000.0 129.0655 490000.0 145.0431 200000.0 146.0267 1800000.0 157.2159 140000.0 163.0535 19000000.0 164.0564 680000.0 END IONS BEGIN IONS SCANS=592 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=593 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=594 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=595 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=596 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=597 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=598 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=599 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=600 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=601 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=602 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=603 PEPMASS=107.0715 CHARGE=1 COLLISION_ENERGY=0.0 56.0494 1800000.0 57.0528 17000.0 62.5743 11000.0 64.0294 2200000.0 65.0327 17000.0 107.0715 290000.0 END IONS BEGIN IONS SCANS=604 PEPMASS=136.0504 CHARGE=1 COLLISION_ENERGY=0.0 41.0384 130000.0 44.9793 310000.0 45.022 50000.0 45.9856 220000.0 55.0511 110000.0 56.0573 75000.0 57.0335 720000.0 60.0012 150000.0 61.0075 220000.0 64.0294 8200000.0 65.0326 110000.0 72.0029 76000.0 78.0087 630000.0 78.0451 660000.0 80.0243 510000.0 85.0283 2600000.0 86.0315 89000.0 87.023 210000.0 88.0296 130000.0 89.0027 65000.0 89.0388 210000.0 90.0451 17000000.0 91.0491 490000.0 92.0607 350000.0 94.0398 470000.0 108.0192 1200000.0 108.0557 1600000.0 118.0404 280000.0 136.0506 24000000.0 137.0539 1000000.0 142.0445 41000.0 145.7951 44000.0 156.1165 42000.0 END IONS BEGIN IONS SCANS=605 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=606 PEPMASS=153.077 CHARGE=1 COLLISION_ENERGY=0.0 43.7805 140000.0 56.0495 18000000.0 57.0528 400000.0 64.0295 6400000.0 65.0328 160000.0 74.0235 660000.0 74.06 1400000.0 78.0449 120000.0 84.0443 670000.0 85.0285 470000.0 90.045 2000000.0 102.0549 8600000.0 103.0582 290000.0 107.0716 42000000.0 108.0197 160000.0 108.0558 280000.0 108.0756 1100000.0 136.0506 28000000.0 137.0538 950000.0 153.0771 12000000.0 154.0801 510000.0 END IONS BEGIN IONS SCANS=607 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=608 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=609 PEPMASS=201.0092 CHARGE=1 COLLISION_ENERGY=0.0 46.0823 11000.0 49.6436 10000.0 50.3675 10000.0 51.3419 10000.0 53.243 14000.0 104.5354 11000.0 161.8929 10000.0 END IONS BEGIN IONS SCANS=610 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=611 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=612 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=613 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=614 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=615 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=616 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=617 PEPMASS=156.042 CHARGE=1 COLLISION_ENERGY=0.0 40.2269 54000.0 45.0705 41000.0 56.0494 430000.0 66.0253 140000.0 74.0963 600000.0 92.0403 51000.0 93.0847 46000.0 96.9685 180000.0 102.0548 210000.0 107.0714 91000.0 109.0585 71000.0 109.0674 760000.0 110.0712 65000.0 112.0522 820000.0 119.6674 53000.0 121.9807 52000.0 128.2074 45000.0 130.0628 890000.0 138.046 500000.0 138.0562 43000.0 139.0489 73000.0 155.0729 180000.0 156.042 11000000.0 157.0456 420000.0 174.0286 57000.0 END IONS BEGIN IONS SCANS=618 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=619 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=620 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=621 PEPMASS=273.1208 CHARGE=1 COLLISION_ENERGY=0.0 74.0963 100000.0 96.9686 28000.0 112.0522 150000.0 130.0626 130000.0 156.042 11000000.0 157.0455 320000.0 273.1212 24000.0 END IONS BEGIN IONS SCANS=622 PEPMASS=132.1017 CHARGE=1 COLLISION_ENERGY=0.0 44.0494 17000.0 61.0105 14000.0 69.0698 21000.0 86.0964 1500000.0 87.0262 26000.0 87.0996 33000.0 132.1017 71000.0 133.0315 30000.0 133.1051 96000.0 END IONS BEGIN IONS SCANS=623 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=624 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=625 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=626 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=627 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=628 PEPMASS=133.105 CHARGE=1 COLLISION_ENERGY=0.0 44.0494 28000.0 61.0105 38000.0 69.0699 13000.0 85.0281 12000.0 86.0964 2000000.0 87.0262 77000.0 87.0996 120000.0 88.0215 12000.0 132.1017 54000.0 133.0316 89000.0 133.1051 170000.0 END IONS BEGIN IONS SCANS=629 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=630 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=631 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=632 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=633 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=634 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=635 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=636 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=637 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=638 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=639 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=640 PEPMASS=217.1545 CHARGE=1 COLLISION_ENERGY=0.0 55.0542 140000.0 60.5384 14000.0 63.2921 13000.0 69.5671 12000.0 70.0651 310000.0 71.0628 23000.0 71.0684 190000.0 72.0808 4800000.0 73.0839 100000.0 96.5358 13000.0 101.0598 16000.0 118.0764 21000.0 118.0863 230000.0 166.1465 14000.0 171.1489 110000.0 200.1274 34000.0 216.1426 81000.0 217.1552 190000.0 218.1378 34000.0 END IONS BEGIN IONS SCANS=641 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=642 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=643 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=644 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=645 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=646 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=647 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=648 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=649 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=650 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=651 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=652 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=653 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=654 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=655 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=656 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=657 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=658 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=659 PEPMASS=203.1388 CHARGE=1 COLLISION_ENERGY=0.0 86.0964 260000.0 132.1019 63000.0 157.1337 11000.0 203.1388 10000.0 END IONS BEGIN IONS SCANS=660 PEPMASS=215.1389 CHARGE=1 COLLISION_ENERGY=0.0 70.0651 7300000.0 71.0684 210000.0 72.0805 31000.0 91.9248 16000.0 116.0704 67000.0 118.0861 39000.0 150.4883 17000.0 169.1333 210000.0 184.8074 18000.0 197.128 20000.0 215.0949 58000.0 215.139 2200000.0 216.1426 150000.0 END IONS BEGIN IONS SCANS=661 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=662 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=663 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=664 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=665 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=666 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=667 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=668 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=669 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=670 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=671 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=672 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=673 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=674 PEPMASS=138.0548 CHARGE=1 COLLISION_ENERGY=0.0 92.0408 17000.0 94.065 15000.0 121.0395 19000.0 137.0544 11000.0 137.0683 86000.0 138.0551 1400000.0 139.0588 75000.0 END IONS BEGIN IONS SCANS=675 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=676 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=677 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=678 PEPMASS=227.158 CHARGE=1 COLLISION_ENERGY=0.0 70.0651 260000.0 71.0682 15000.0 84.0443 71000.0 84.0807 300000.0 85.084 31000.0 98.0597 20000.0 112.0754 36000.0 116.0705 150000.0 125.0708 740000.0 126.0747 83000.0 129.1021 66000.0 153.0656 75000.0 154.0734 78000.0 181.0972 17000.0 181.1333 220000.0 182.1371 52000.0 209.1284 3900000.0 210.1317 1100000.0 211.1338 60000.0 226.1548 1600000.0 227.1036 32000.0 227.1581 480000.0 228.1606 25000.0 END IONS BEGIN IONS SCANS=679 PEPMASS=226.1548 CHARGE=1 COLLISION_ENERGY=0.0 70.0651 430000.0 84.0445 53000.0 84.0807 610000.0 85.0838 19000.0 88.2503 15000.0 97.0767 14000.0 98.0605 28000.0 112.0753 97000.0 116.0706 130000.0 125.0709 1500000.0 126.0747 50000.0 129.1022 120000.0 141.0657 11000.0 153.0658 200000.0 154.0739 140000.0 181.1002 20000.0 181.1335 510000.0 182.1374 26000.0 209.1285 9800000.0 210.1318 600000.0 226.1549 4900000.0 227.1034 32000.0 227.158 260000.0 END IONS BEGIN IONS SCANS=680 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=681 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=682 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=683 PEPMASS=118.0862 CHARGE=1 COLLISION_ENERGY=0.0 55.0542 13000.0 56.0494 11000.0 58.065 93000.0 59.0728 240000.0 72.0805 25000.0 100.0753 37000.0 101.0595 52000.0 118.0861 10000000.0 119.0897 370000.0 END IONS BEGIN IONS SCANS=684 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=685 PEPMASS=197.0409 CHARGE=1 COLLISION_ENERGY=0.0 197.041 230000.0 END IONS BEGIN IONS SCANS=686 PEPMASS=320.1714 CHARGE=1 COLLISION_ENERGY=0.0 60.0556 21000.0 70.0652 19000.0 85.0394 17000.0 98.06 63000.0 107.0493 13000.0 112.0868 10000.0 127.0865 16000.0 136.0754 38000.0 155.0813 27000.0 188.1065 16000.0 216.1021 41000.0 232.1437 18000.0 233.1283 210000.0 234.1323 20000.0 260.1392 42000.0 261.1231 870000.0 262.1267 78000.0 275.1497 12000.0 278.15 13000.0 303.1447 120000.0 304.1483 13000.0 320.1714 670000.0 321.1741 68000.0 END IONS BEGIN IONS SCANS=687 PEPMASS=115.0865 CHARGE=1 COLLISION_ENERGY=0.0 41.9952 14000.0 67.4269 14000.0 70.0651 7000000.0 71.0684 190000.0 87.0915 250000.0 94.4789 18000.0 97.0759 600000.0 98.0598 56000.0 98.0794 25000.0 114.0653 22000.0 115.0865 7000000.0 116.0904 190000.0 END IONS BEGIN IONS SCANS=688 PEPMASS=137.0684 CHARGE=1 COLLISION_ENERGY=0.0 64.0294 74000.0 85.0283 23000.0 90.045 140000.0 91.0485 12000.0 136.0218 49000.0 136.0504 160000.0 136.062 33000.0 137.025 16000.0 137.0684 600000.0 138.055 870000.0 END IONS BEGIN IONS SCANS=689 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=690 PEPMASS=265.1115 CHARGE=1 COLLISION_ENERGY=0.0 81.0446 11000.0 122.0712 370000.0 144.0477 97000.0 END IONS BEGIN IONS SCANS=691 PEPMASS=228.1453 CHARGE=1 COLLISION_ENERGY=0.0 60.0555 22000.0 70.0651 11000.0 98.0599 17000.0 99.055 14000.0 141.1022 130000.0 168.1131 36000.0 169.0971 630000.0 170.1006 27000.0 186.1236 13000.0 210.1316 44000.0 211.1182 91000.0 227.1595 20000.0 228.1453 470000.0 229.148 30000.0 END IONS BEGIN IONS SCANS=692 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=693 PEPMASS=226.1549 CHARGE=1 COLLISION_ENERGY=0.0 70.0651 55000.0 84.0807 55000.0 90.9766 88000.0 112.0755 19000.0 125.0709 320000.0 129.1022 22000.0 153.0657 39000.0 154.0737 21000.0 181.1336 92000.0 209.1284 1200000.0 210.1316 72000.0 226.155 550000.0 227.159 34000.0 END IONS BEGIN IONS SCANS=694 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=695 PEPMASS=228.1454 CHARGE=1 COLLISION_ENERGY=0.0 60.0556 88000.0 70.0651 17000.0 98.06 48000.0 99.0554 54000.0 115.0867 13000.0 127.0502 18000.0 140.1181 33000.0 141.1021 490000.0 142.1053 13000.0 168.1133 84000.0 169.0971 2400000.0 170.1006 97000.0 183.1239 14000.0 186.124 41000.0 194.0932 11000.0 210.132 18000.0 211.1188 320000.0 212.1214 19000.0 228.1454 2000000.0 229.1482 110000.0 END IONS BEGIN IONS SCANS=696 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=697 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=698 PEPMASS=118.0862 CHARGE=1 COLLISION_ENERGY=0.0 55.0542 200000.0 58.0655 37000.0 59.0729 96000.0 72.0807 6900000.0 73.0787 27000.0 73.0839 200000.0 90.4089 14000.0 91.13 13000.0 118.0861 4300000.0 119.0897 170000.0 END IONS BEGIN IONS SCANS=699 PEPMASS=132.1017 CHARGE=1 COLLISION_ENERGY=0.0 44.0494 18000.0 69.0699 13000.0 86.0964 1300000.0 87.0995 24000.0 132.1018 57000.0 133.1052 83000.0 END IONS BEGIN IONS SCANS=700 PEPMASS=133.1051 CHARGE=1 COLLISION_ENERGY=0.0 44.0494 19000.0 86.0964 1300000.0 87.0261 15000.0 87.0996 74000.0 132.1017 20000.0 133.0318 16000.0 133.1052 110000.0 END IONS BEGIN IONS SCANS=701 PEPMASS=153.077 CHARGE=1 COLLISION_ENERGY=0.0 56.0494 190000.0 64.0294 65000.0 74.0599 11000.0 90.0451 20000.0 102.0549 86000.0 107.0716 440000.0 108.0754 14000.0 136.0505 310000.0 137.0536 11000.0 153.0772 150000.0 END IONS BEGIN IONS SCANS=702 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=703 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=704 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=705 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=706 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=707 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=708 PEPMASS=298.0247 CHARGE=1 COLLISION_ENERGY=0.0 162.0502 1200000.0 163.0537 32000.0 END IONS BEGIN IONS SCANS=709 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=710 PEPMASS=162.0499 CHARGE=1 COLLISION_ENERGY=0.0 162.0501 560000.0 163.0535 30000.0 END IONS BEGIN IONS SCANS=711 PEPMASS=118.0861 CHARGE=1 COLLISION_ENERGY=0.0 58.065 50000.0 59.0729 140000.0 72.0807 920000.0 73.084 20000.0 118.0863 6100000.0 119.09 170000.0 END IONS BEGIN IONS SCANS=712 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=713 PEPMASS=90.9766 CHARGE=1 COLLISION_ENERGY=0.0 44.0494 16000.0 90.9765 270000.0 END IONS BEGIN IONS SCANS=714 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=715 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=716 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=717 PEPMASS=133.1051 CHARGE=1 COLLISION_ENERGY=0.0 44.0494 21000.0 86.0964 1400000.0 87.0996 86000.0 132.1017 24000.0 133.0318 15000.0 133.1052 110000.0 END IONS BEGIN IONS SCANS=718 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=719 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=720 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=721 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=722 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=723 PEPMASS=132.1017 CHARGE=1 COLLISION_ENERGY=0.0 44.0495 17000.0 69.0699 12000.0 86.0964 1200000.0 87.0997 23000.0 132.1018 49000.0 133.1052 84000.0 END IONS BEGIN IONS SCANS=724 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=725 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=726 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=727 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=728 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=729 PEPMASS=430.9133 CHARGE=1 COLLISION_ENERGY=0.0 59.0763 10000.0 90.9766 5300000.0 91.9801 35000.0 158.9639 3700000.0 159.968 43000.0 226.9513 2700000.0 227.9545 53000.0 END IONS BEGIN IONS SCANS=730 PEPMASS=498.9006 CHARGE=1 COLLISION_ENERGY=0.0 60.3679 12000.0 63.7146 14000.0 69.5915 12000.0 90.9765 2200000.0 111.1439 13000.0 131.637 13000.0 158.964 1800000.0 159.9665 21000.0 226.9514 1600000.0 227.9538 39000.0 END IONS BEGIN IONS SCANS=731 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=732 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=733 PEPMASS=566.888 CHARGE=1 COLLISION_ENERGY=0.0 64.8064 15000.0 76.7159 12000.0 90.9766 1800000.0 91.9801 16000.0 136.5202 14000.0 158.964 1700000.0 159.9679 26000.0 180.8472 14000.0 203.3796 15000.0 226.9515 2900000.0 227.9554 62000.0 269.1809 16000.0 294.9393 29000.0 362.9259 34000.0 END IONS BEGIN IONS SCANS=734 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=735 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=736 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=737 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=738 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=739 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=740 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=741 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=742 PEPMASS=162.0499 CHARGE=1 COLLISION_ENERGY=0.0 59.0603 13000.0 162.05 450000.0 163.0535 68000.0 END IONS BEGIN IONS SCANS=743 PEPMASS=566.888 CHARGE=1 COLLISION_ENERGY=0.0 90.9765 2000000.0 91.9799 13000.0 158.9639 2000000.0 159.9676 25000.0 226.0441 15000.0 226.9513 3000000.0 227.955 52000.0 294.9394 21000.0 362.9256 45000.0 END IONS BEGIN IONS SCANS=744 PEPMASS=298.0246 CHARGE=1 COLLISION_ENERGY=0.0 162.0501 1000000.0 163.0539 31000.0 END IONS BEGIN IONS SCANS=745 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=746 PEPMASS=90.9766 CHARGE=1 COLLISION_ENERGY=0.0 46.7064 23000.0 46.9867 46000.0 59.3186 24000.0 62.9815 33000.0 72.0497 23000.0 90.9765 1100000.0 END IONS BEGIN IONS SCANS=747 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=748 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=749 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=750 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=751 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=752 PEPMASS=362.926 CHARGE=1 COLLISION_ENERGY=0.0 51.7523 31000.0 90.9766 4000000.0 91.9801 32000.0 99.253 29000.0 158.9639 2000000.0 192.2035 27000.0 206.6746 30000.0 226.0446 74000.0 226.9514 340000.0 END IONS BEGIN IONS SCANS=753 PEPMASS=430.9133 CHARGE=1 COLLISION_ENERGY=0.0 90.9766 4000000.0 91.9799 34000.0 158.964 3600000.0 159.9673 50000.0 226.9514 2400000.0 227.9548 56000.0 END IONS BEGIN IONS SCANS=754 PEPMASS=498.9006 CHARGE=1 COLLISION_ENERGY=0.0 61.1651 10000.0 69.5015 10000.0 85.7827 12000.0 90.9766 2800000.0 91.9801 17000.0 112.8362 10000.0 131.1944 11000.0 158.9639 2200000.0 159.9672 32000.0 226.9513 2000000.0 227.9542 43000.0 332.1644 13000.0 END IONS BEGIN IONS SCANS=755 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=756 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=757 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=758 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=759 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=760 PEPMASS=430.9133 CHARGE=1 COLLISION_ENERGY=0.0 90.9765 6600000.0 158.964 4500000.0 158.9809 120000.0 226.9513 3200000.0 287.6482 40000.0 452.7095 46000.0 END IONS BEGIN IONS SCANS=761 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=762 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=763 PEPMASS=362.926 CHARGE=1 COLLISION_ENERGY=0.0 50.3062 37000.0 51.7726 31000.0 90.9765 4900000.0 91.9797 45000.0 112.4135 38000.0 113.7843 34000.0 158.9639 2000000.0 159.9685 36000.0 163.0464 38000.0 208.1856 34000.0 211.1337 34000.0 226.0447 64000.0 226.9513 380000.0 301.9851 34000.0 345.7583 36000.0 END IONS BEGIN IONS SCANS=764 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=765 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=766 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=767 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=768 PEPMASS=498.9006 CHARGE=1 COLLISION_ENERGY=0.0 61.7941 25000.0 67.604 31000.0 90.9765 3400000.0 91.9799 33000.0 149.4912 26000.0 158.9639 2600000.0 160.0339 140000.0 217.8343 25000.0 226.9513 2400000.0 227.9545 45000.0 437.5009 28000.0 END IONS BEGIN IONS SCANS=769 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=770 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=771 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=772 PEPMASS=566.888 CHARGE=1 COLLISION_ENERGY=0.0 90.9766 1800000.0 158.9639 2100000.0 159.9676 19000.0 160.0344 50000.0 226.9514 4000000.0 227.9546 81000.0 294.9387 37000.0 296.0096 13000.0 362.9252 70000.0 END IONS BEGIN IONS SCANS=773 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=774 PEPMASS=226.9513 CHARGE=1 COLLISION_ENERGY=0.0 76.036 40000.0 79.0735 41000.0 90.9767 31000000.0 91.7342 29000.0 91.9802 120000.0 103.7022 39000.0 158.9639 3000000.0 159.9686 41000.0 END IONS BEGIN IONS SCANS=775 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=776 PEPMASS=158.9639 CHARGE=1 COLLISION_ENERGY=0.0 42.686 21000.0 44.5082 22000.0 44.9933 27000.0 48.6301 20000.0 68.0133 25000.0 75.7473 21000.0 79.0738 22000.0 79.5332 24000.0 79.8352 22000.0 90.9766 4700000.0 91.9798 30000.0 160.0341 260000.0 END IONS BEGIN IONS SCANS=777 PEPMASS=90.9766 CHARGE=1 COLLISION_ENERGY=0.0 40.3337 24000.0 40.9416 23000.0 46.9867 46000.0 53.9624 26000.0 58.0116 25000.0 82.4636 26000.0 84.9257 23000.0 90.3887 22000.0 90.9765 1100000.0 93.7059 23000.0 99.6234 24000.0 END IONS BEGIN IONS SCANS=778 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=779 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=780 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=781 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=782 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=783 PEPMASS=430.9133 CHARGE=1 COLLISION_ENERGY=0.0 51.3873 16000.0 52.8396 16000.0 54.7696 18000.0 57.3825 16000.0 90.9766 6600000.0 91.98 47000.0 158.964 4900000.0 159.9674 57000.0 160.0346 47000.0 176.5848 17000.0 226.9513 3700000.0 227.9552 54000.0 228.6295 16000.0 255.784 17000.0 289.0933 17000.0 385.6708 18000.0 END IONS BEGIN IONS SCANS=784 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=785 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=786 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=787 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=788 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=789 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=790 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=791 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=792 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=793 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=794 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=795 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=796 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=797 PEPMASS=498.9006 CHARGE=1 COLLISION_ENERGY=0.0 90.9765 1300000.0 158.9639 1000000.0 159.9672 16000.0 160.0344 86000.0 226.9514 1200000.0 227.9545 30000.0 296.009 17000.0 END IONS BEGIN IONS SCANS=798 PEPMASS=566.888 CHARGE=1 COLLISION_ENERGY=0.0 90.9766 890000.0 158.964 1000000.0 159.9679 14000.0 160.0345 37000.0 226.9515 1700000.0 227.9547 36000.0 294.939 11000.0 362.9262 23000.0 END IONS BEGIN IONS SCANS=799 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=800 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=801 PEPMASS=116.0705 CHARGE=1 COLLISION_ENERGY=0.0 41.6261 11000.0 70.0651 4400000.0 71.0684 110000.0 116.0705 4100000.0 117.0741 150000.0 END IONS BEGIN IONS SCANS=802 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=803 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=804 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=805 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=806 PEPMASS=90.9765 CHARGE=1 COLLISION_ENERGY=0.0 44.0494 15000.0 90.9765 140000.0 END IONS BEGIN IONS SCANS=807 PEPMASS=133.1051 CHARGE=1 COLLISION_ENERGY=0.0 44.0494 14000.0 86.0965 1200000.0 87.0997 63000.0 132.102 25000.0 133.1053 100000.0 END IONS BEGIN IONS SCANS=808 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=809 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=810 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=811 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=812 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=813 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=814 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=815 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=816 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=817 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=818 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=819 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=820 PEPMASS=258.1559 CHARGE=1 COLLISION_ENERGY=0.0 109.0507 15000.0 125.0709 13000.0 126.0774 29000.0 155.0814 88000.0 181.0975 16000.0 197.1032 27000.0 199.1076 120000.0 214.1298 74000.0 241.1286 17000.0 258.1213 13000.0 258.1558 200000.0 259.1578 13000.0 END IONS BEGIN IONS SCANS=821 PEPMASS=301.9656 CHARGE=1 COLLISION_ENERGY=0.0 148.9643 75000.0 165.9908 320000.0 187.9727 160000.0 233.0878 14000.0 255.9594 16000.0 302.1531 14000.0 END IONS BEGIN IONS SCANS=822 PEPMASS=214.1297 CHARGE=1 COLLISION_ENERGY=0.0 60.0556 68000.0 70.065 12000.0 85.0397 22000.0 98.0601 36000.0 113.0346 34000.0 127.0865 240000.0 154.0974 59000.0 155.0815 1600000.0 156.0851 75000.0 172.1078 42000.0 197.1033 200000.0 214.1299 1100000.0 215.1328 71000.0 END IONS BEGIN IONS SCANS=823 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=824 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=825 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=826 PEPMASS=376.9798 CHARGE=1 COLLISION_ENERGY=0.0 148.9642 110000.0 165.9907 600000.0 166.9932 12000.0 187.9726 230000.0 219.9444 11000.0 233.0871 44000.0 313.9478 22000.0 330.9737 51000.0 END IONS BEGIN IONS SCANS=827 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=828 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=829 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=830 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=831 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=832 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=833 PEPMASS=308.9924 CHARGE=1 COLLISION_ENERGY=0.0 148.9642 120000.0 165.9908 610000.0 166.9934 10000.0 187.9727 47000.0 308.1582 16000.0 END IONS BEGIN IONS SCANS=834 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=835 PEPMASS=173.0919 CHARGE=1 COLLISION_ENERGY=0.0 98.0599 25000.0 127.0865 91000.0 173.092 400000.0 174.0954 15000.0 END IONS BEGIN IONS SCANS=836 PEPMASS=165.9909 CHARGE=1 COLLISION_ENERGY=0.0 62.9817 16000.0 120.0807 69000.0 148.9643 480000.0 149.9671 12000.0 165.9908 550000.0 166.0855 14000.0 166.993 14000.0 END IONS BEGIN IONS SCANS=837 PEPMASS=451.994 CHARGE=1 COLLISION_ENERGY=0.0 148.9643 96000.0 165.9909 710000.0 166.9939 18000.0 187.9728 270000.0 219.9444 17000.0 308.9936 25000.0 313.948 36000.0 330.9745 150000.0 364.2211 16000.0 451.2523 61000.0 452.2558 19000.0 END IONS BEGIN IONS SCANS=838 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=839 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=840 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=841 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=842 PEPMASS=122.027 CHARGE=1 COLLISION_ENERGY=0.0 58.9949 300000.0 76.0215 1400000.0 77.025 23000.0 86.9898 490000.0 87.9934 13000.0 88.0392 15000.0 105.0004 770000.0 106.0032 11000.0 122.0269 780000.0 123.0297 15000.0 123.0553 48000.0 123.0914 24000.0 END IONS BEGIN IONS SCANS=843 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=844 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=845 PEPMASS=241.031 CHARGE=1 COLLISION_ENERGY=0.0 74.0057 12000.0 74.0236 62000.0 120.0113 150000.0 122.027 95000.0 151.9834 220000.0 153.999 18000.0 195.0259 21000.0 241.0313 51000.0 241.153 14000.0 END IONS BEGIN IONS SCANS=846 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=847 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=848 PEPMASS=118.0861 CHARGE=1 COLLISION_ENERGY=0.0 59.0729 18000.0 72.0807 290000.0 118.0861 800000.0 119.0898 22000.0 END IONS BEGIN IONS SCANS=849 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=850 PEPMASS=122.027 CHARGE=1 COLLISION_ENERGY=0.0 58.9949 250000.0 76.0215 1200000.0 77.0247 16000.0 86.9898 430000.0 87.9932 10000.0 88.0391 18000.0 105.0003 660000.0 106.0034 14000.0 121.0393 15000.0 122.0269 630000.0 122.0963 11000.0 123.0297 13000.0 123.0551 47000.0 123.0916 30000.0 END IONS BEGIN IONS SCANS=851 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=852 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=853 PEPMASS=208.1807 CHARGE=1 COLLISION_ENERGY=0.0 70.0651 150000.0 72.0808 110000.0 84.0808 34000.0 94.0651 21000.0 96.0808 24000.0 110.0963 28000.0 120.0807 82000.0 122.0964 18000.0 137.107 16000.0 139.123 59000.0 144.0658 10000.0 191.1544 50000.0 208.181 80000.0 END IONS BEGIN IONS SCANS=854 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=855 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=856 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=857 PEPMASS=226.9514 CHARGE=1 COLLISION_ENERGY=0.0 90.9766 380000.0 158.9641 34000.0 END IONS BEGIN IONS SCANS=858 PEPMASS=258.156 CHARGE=1 COLLISION_ENERGY=0.0 60.0556 37000.0 71.0491 12000.0 98.0599 66000.0 115.0864 14000.0 125.0709 62000.0 127.0866 25000.0 153.1021 34000.0 154.0974 14000.0 155.0813 400000.0 156.0854 23000.0 171.1118 17000.0 180.1133 25000.0 181.0969 160000.0 197.1031 130000.0 198.125 23000.0 199.1075 740000.0 200.1109 38000.0 214.1297 340000.0 215.1327 13000.0 216.134 14000.0 241.1293 110000.0 258.1559 990000.0 259.1582 70000.0 END IONS BEGIN IONS SCANS=859 PEPMASS=104.0705 CHARGE=1 COLLISION_ENERGY=0.0 43.0178 31000.0 45.0334 27000.0 58.0651 16000.0 69.0334 90000.0 86.0599 320000.0 87.044 850000.0 88.0472 18000.0 104.0705 270000.0 END IONS BEGIN IONS SCANS=860 PEPMASS=226.9514 CHARGE=1 COLLISION_ENERGY=0.0 90.9766 300000.0 158.9639 26000.0 END IONS BEGIN IONS SCANS=861 PEPMASS=245.9476 CHARGE=1 COLLISION_ENERGY=0.0 148.9642 68000.0 165.9908 330000.0 END IONS BEGIN IONS SCANS=862 PEPMASS=201.9837 CHARGE=1 COLLISION_ENERGY=0.0 74.0058 85000.0 92.0162 11000.0 120.0113 360000.0 122.0271 21000.0 201.9838 30000.0 END IONS BEGIN IONS SCANS=863 PEPMASS=267.9295 CHARGE=1 COLLISION_ENERGY=0.0 136.0617 26000.0 155.0426 12000.0 180.8976 260000.0 187.9727 38000.0 267.9302 11000.0 END IONS BEGIN IONS SCANS=864 PEPMASS=90.055 CHARGE=1 COLLISION_ENERGY=0.0 44.0495 4800000.0 45.0529 35000.0 62.2271 10000.0 89.0787 15000.0 90.0548 1800000.0 91.058 16000.0 END IONS BEGIN IONS SCANS=865 PEPMASS=244.1405 CHARGE=1 COLLISION_ENERGY=0.0 60.0556 37000.0 70.0649 11000.0 98.0597 15000.0 115.0503 19000.0 115.0862 14000.0 134.0186 130000.0 140.0707 26000.0 143.045 12000.0 155.0813 150000.0 156.0849 11000.0 157.0969 130000.0 167.0818 28000.0 184.1077 54000.0 185.0918 1100000.0 186.0954 67000.0 197.1031 25000.0 202.1183 20000.0 214.13 76000.0 226.1299 17000.0 227.1135 150000.0 228.1167 12000.0 244.1402 920000.0 245.0742 14000.0 245.1434 55000.0 END IONS BEGIN IONS SCANS=866 PEPMASS=230.15 CHARGE=1 COLLISION_ENERGY=0.0 55.0542 11000.0 84.0807 38000.0 85.0395 20000.0 112.0756 25000.0 113.0344 20000.0 113.0709 15000.0 124.0756 12000.0 129.066 13000.0 129.1022 48000.0 139.0864 97000.0 141.0658 97000.0 151.0862 13000.0 152.1066 24000.0 153.066 14000.0 167.1178 62000.0 169.0971 240000.0 185.1287 19000.0 186.1234 50000.0 195.1128 120000.0 212.1392 18000.0 213.1233 540000.0 214.1265 36000.0 230.1498 350000.0 231.1526 27000.0 END IONS BEGIN IONS SCANS=867 PEPMASS=134.0188 CHARGE=1 COLLISION_ENERGY=0.0 86.0964 350000.0 87.0997 34000.0 133.1053 37000.0 134.0188 490000.0 135.0227 12000.0 END IONS BEGIN IONS SCANS=868 PEPMASS=328.0302 CHARGE=1 COLLISION_ENERGY=0.0 134.0324 55000.0 216.9873 100000.0 328.0308 22000.0 END IONS BEGIN IONS SCANS=869 PEPMASS=306.0483 CHARGE=1 COLLISION_ENERGY=0.0 112.0504 480000.0 113.0544 11000.0 178.0612 31000.0 306.0486 27000.0 END IONS BEGIN IONS SCANS=870 PEPMASS=285.1667 CHARGE=1 COLLISION_ENERGY=0.0 70.0651 21000.0 115.0864 14000.0 181.097 100000.0 208.1079 52000.0 209.0918 240000.0 210.0955 18000.0 225.1351 19000.0 226.1183 61000.0 251.1135 84000.0 267.1558 17000.0 268.1397 63000.0 285.1669 290000.0 286.1693 25000.0 END IONS BEGIN IONS SCANS=871 PEPMASS=387.271 CHARGE=1 COLLISION_ENERGY=0.0 60.0555 18000.0 70.0651 80000.0 86.0964 16000.0 112.0868 35000.0 140.0817 16000.0 157.1084 27000.0 169.1326 11000.0 183.1488 24000.0 211.156 31000.0 225.1708 48000.0 270.1931 11000.0 271.1754 15000.0 274.1873 20000.0 288.2028 33000.0 370.244 28000.0 387.2716 200000.0 388.2733 29000.0 END IONS BEGIN IONS SCANS=872 PEPMASS=187.1075 CHARGE=1 COLLISION_ENERGY=0.0 70.0651 410000.0 187.1075 110000.0 END IONS BEGIN IONS SCANS=873 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=874 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=875 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=876 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=877 PEPMASS=197.0894 CHARGE=1 COLLISION_ENERGY=0.0 110.0711 45000.0 152.0682 120000.0 152.0819 17000.0 156.0765 23000.0 197.0896 120000.0 198.0879 19000.0 END IONS BEGIN IONS SCANS=878 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=879 PEPMASS=269.1606 CHARGE=1 COLLISION_ENERGY=0.0 83.0606 51000.0 86.0965 50000.0 93.0447 51000.0 95.0607 14000.0 110.0712 5300000.0 111.0752 130000.0 121.0398 29000.0 138.066 240000.0 156.0766 350000.0 166.0612 33000.0 178.1336 160000.0 206.1295 41000.0 223.1552 490000.0 224.1583 36000.0 234.1243 25000.0 251.1501 510000.0 252.1528 30000.0 268.1267 26000.0 269.1607 890000.0 270.1642 55000.0 END IONS BEGIN IONS SCANS=880 PEPMASS=346.0543 CHARGE=1 COLLISION_ENERGY=0.0 98.984 12000.0 135.03 22000.0 152.0567 1700000.0 153.0595 57000.0 347.1299 11000.0 END IONS BEGIN IONS SCANS=881 PEPMASS=271.151 CHARGE=1 COLLISION_ENERGY=0.0 60.0557 10000.0 110.0711 250000.0 111.0751 140000.0 115.0866 17000.0 125.0707 42000.0 138.0656 13000.0 152.0819 19000.0 153.0658 120000.0 156.0761 11000.0 179.1361 11000.0 194.0926 34000.0 195.0762 610000.0 196.0802 41000.0 211.1189 21000.0 212.1028 290000.0 213.106 14000.0 224.1588 25000.0 229.1294 15000.0 237.0979 39000.0 252.1537 18000.0 254.1248 110000.0 270.1635 41000.0 271.1512 480000.0 272.1545 36000.0 END IONS BEGIN IONS SCANS=882 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=883 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=884 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=885 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=886 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=887 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=888 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=889 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=890 PEPMASS=129.0657 CHARGE=1 COLLISION_ENERGY=0.0 83.0603 2200000.0 84.0573 13000.0 84.0634 65000.0 129.0658 2200000.0 130.0697 88000.0 130.1588 23000.0 END IONS BEGIN IONS SCANS=891 PEPMASS=120.0655 CHARGE=1 COLLISION_ENERGY=0.0 45.8461 12000.0 46.0287 23000.0 56.0494 1800000.0 57.0334 110000.0 57.0527 28000.0 58.6623 12000.0 62.9815 18000.0 67.8544 12000.0 69.9333 14000.0 73.8194 13000.0 74.06 4900000.0 75.0576 22000.0 75.0633 88000.0 84.0443 220000.0 96.2501 11000.0 102.0548 2200000.0 103.0588 64000.0 120.0654 1500000.0 120.082 42000.0 121.0393 17000.0 121.0685 33000.0 138.7935 12000.0 END IONS BEGIN IONS SCANS=892 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=893 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=894 PEPMASS=164.0292 CHARGE=1 COLLISION_ENERGY=0.0 62.9817 180000.0 120.0031 320000.0 164.0294 240000.0 END IONS BEGIN IONS SCANS=895 PEPMASS=133.1051 CHARGE=1 COLLISION_ENERGY=0.0 86.0964 580000.0 87.0997 30000.0 88.0758 10000.0 132.1016 11000.0 133.1052 57000.0 END IONS BEGIN IONS SCANS=896 PEPMASS=153.077 CHARGE=1 COLLISION_ENERGY=0.0 56.0494 44000.0 64.0294 18000.0 102.0547 15000.0 107.0715 85000.0 136.0505 53000.0 153.0772 21000.0 END IONS BEGIN IONS SCANS=897 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=898 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=899 PEPMASS=129.0657 CHARGE=1 COLLISION_ENERGY=0.0 83.0604 1300000.0 84.0635 38000.0 129.0658 1300000.0 130.0699 52000.0 130.1589 20000.0 END IONS BEGIN IONS SCANS=900 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=901 PEPMASS=233.1065 CHARGE=1 COLLISION_ENERGY=0.0 70.0651 1900000.0 71.0685 44000.0 72.0808 12000.0 112.0868 1100000.0 113.0901 27000.0 114.1025 31000.0 130.0685 130000.0 172.0898 11000.0 174.0583 24000.0 189.1171 46000.0 233.1062 72000.0 END IONS BEGIN IONS SCANS=902 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=903 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=904 PEPMASS=217.1293 CHARGE=1 COLLISION_ENERGY=0.0 60.0442 19000.0 60.0556 37000.0 70.0651 150000.0 71.0491 25000.0 72.0809 21000.0 95.0603 10000.0 112.0756 66000.0 112.0868 64000.0 113.0709 60000.0 114.0912 42000.0 114.1022 13000.0 115.0864 140000.0 116.0704 160000.0 130.086 11000.0 130.0974 24000.0 139.0867 15000.0 157.0965 140000.0 158.0802 490000.0 159.084 15000.0 175.1194 160000.0 182.0923 12000.0 199.1087 22000.0 200.1026 160000.0 201.107 10000.0 216.1338 14000.0 217.1294 770000.0 218.1328 37000.0 END IONS BEGIN IONS SCANS=905 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=906 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=907 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=908 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=909 PEPMASS=205.1181 CHARGE=1 COLLISION_ENERGY=0.0 60.0444 67000.0 72.0808 32000.0 118.0863 54000.0 159.1129 39000.0 205.1179 10000.0 END IONS BEGIN IONS SCANS=910 PEPMASS=176.0916 CHARGE=1 COLLISION_ENERGY=0.0 84.0443 21000.0 85.0283 13000.0 112.0756 260000.0 113.079 11000.0 130.0862 230000.0 158.0809 88000.0 176.0914 150000.0 END IONS BEGIN IONS SCANS=911 PEPMASS=120.0654 CHARGE=1 COLLISION_ENERGY=0.0 44.0495 29000.0 56.0494 130000.0 74.0236 18000.0 74.06 970000.0 75.0632 21000.0 84.0442 16000.0 102.0549 150000.0 120.0032 92000.0 120.0654 370000.0 120.0807 33000.0 121.0393 21000.0 121.0688 14000.0 END IONS BEGIN IONS SCANS=912 PEPMASS=216.1341 CHARGE=1 COLLISION_ENERGY=0.0 60.0443 25000.0 70.0284 13000.0 84.0807 150000.0 85.0396 68000.0 87.0554 18000.0 112.0757 30000.0 113.0342 14000.0 115.0501 190000.0 120.0028 11000.0 126.0912 40000.0 129.1021 71000.0 143.0451 160000.0 151.0866 17000.0 152.0701 11000.0 153.1022 35000.0 154.0859 19000.0 169.0971 140000.0 171.1127 150000.0 181.0969 89000.0 186.1236 21000.0 198.1234 17000.0 199.1077 1200000.0 200.1108 61000.0 216.1343 620000.0 217.1353 39000.0 END IONS BEGIN IONS SCANS=913 PEPMASS=254.1109 CHARGE=1 COLLISION_ENERGY=0.0 138.0159 16000.0 155.0426 320000.0 237.1595 11000.0 254.1112 200000.0 254.1843 24000.0 END IONS BEGIN IONS SCANS=914 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=915 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=916 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=917 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=918 PEPMASS=142.0973 CHARGE=1 COLLISION_ENERGY=0.0 81.0447 92000.0 83.0603 17000.0 95.0603 35000.0 124.0869 280000.0 125.0711 47000.0 125.0904 12000.0 142.0975 210000.0 END IONS BEGIN IONS SCANS=919 PEPMASS=247.1287 CHARGE=1 COLLISION_ENERGY=0.0 69.0699 17000.0 86.0964 450000.0 87.0996 18000.0 133.0605 18000.0 END IONS BEGIN IONS SCANS=920 PEPMASS=203.1137 CHARGE=1 COLLISION_ENERGY=0.0 60.0556 27000.0 70.0651 38000.0 98.0598 27000.0 100.0755 19000.0 112.0869 17000.0 115.0866 19000.0 116.0705 47000.0 130.0974 11000.0 143.0815 11000.0 144.0654 130000.0 158.0923 45000.0 161.0918 15000.0 175.1189 99000.0 186.0872 33000.0 203.1139 270000.0 204.1176 12000.0 END IONS BEGIN IONS SCANS=921 PEPMASS=246.1447 CHARGE=1 COLLISION_ENERGY=0.0 86.0964 250000.0 133.0607 63000.0 END IONS BEGIN IONS SCANS=922 PEPMASS=261.1444 CHARGE=1 COLLISION_ENERGY=0.0 69.0698 34000.0 84.044 10000.0 86.0964 890000.0 87.0996 29000.0 102.0548 12000.0 130.0497 26000.0 148.0603 140000.0 261.1443 45000.0 END IONS BEGIN IONS SCANS=923 PEPMASS=283.1263 CHARGE=1 COLLISION_ENERGY=0.0 152.0314 12000.0 170.0423 27000.0 283.1261 48000.0 END IONS BEGIN IONS SCANS=924 PEPMASS=269.1607 CHARGE=1 COLLISION_ENERGY=0.0 83.0602 12000.0 86.0963 11000.0 110.0712 1000000.0 111.075 25000.0 138.066 53000.0 155.0427 19000.0 156.0766 64000.0 178.1337 47000.0 223.1551 120000.0 251.1505 44000.0 268.126 11000.0 269.1607 150000.0 270.1647 12000.0 END IONS BEGIN IONS SCANS=925 PEPMASS=226.9513 CHARGE=1 COLLISION_ENERGY=0.0 90.9766 160000.0 158.964 11000.0 END IONS BEGIN IONS SCANS=926 PEPMASS=118.0861 CHARGE=1 COLLISION_ENERGY=0.0 72.0807 120000.0 118.0862 170000.0 END IONS BEGIN IONS SCANS=927 PEPMASS=244.0943 CHARGE=1 COLLISION_ENERGY=0.0 72.0808 140000.0 209.0918 20000.0 END IONS BEGIN IONS SCANS=928 PEPMASS=201.1788 CHARGE=1 COLLISION_ENERGY=0.0 72.0807 700000.0 73.0841 62000.0 85.0759 71000.0 111.0915 15000.0 129.1022 1400000.0 130.106 180000.0 156.1494 36000.0 200.1757 960000.0 201.179 270000.0 202.182 11000.0 END IONS BEGIN IONS SCANS=929 PEPMASS=200.1757 CHARGE=1 COLLISION_ENERGY=0.0 72.0807 1300000.0 73.0841 27000.0 85.076 150000.0 111.0915 27000.0 129.1022 2600000.0 130.1061 88000.0 156.1494 67000.0 200.1757 2300000.0 201.1791 140000.0 END IONS BEGIN IONS SCANS=930 PEPMASS=226.9513 CHARGE=1 COLLISION_ENERGY=0.0 73.0284 25000.0 74.0059 23000.0 90.9766 91000.0 108.9775 24000.0 120.0114 39000.0 136.9725 14000.0 180.0149 17000.0 END IONS BEGIN IONS SCANS=931 PEPMASS=217.1181 CHARGE=1 COLLISION_ENERGY=0.0 70.0651 270000.0 217.119 50000.0 END IONS BEGIN IONS SCANS=932 PEPMASS=265.127 CHARGE=1 COLLISION_ENERGY=0.0 129.9875 16000.0 177.1021 13000.0 248.1752 12000.0 265.127 130000.0 265.2008 12000.0 266.1303 11000.0 END IONS BEGIN IONS SCANS=933 PEPMASS=365.1052 CHARGE=1 COLLISION_ENERGY=0.0 185.0418 270000.0 186.0451 13000.0 203.0525 610000.0 204.0559 31000.0 365.1051 640000.0 366.109 67000.0 END IONS BEGIN IONS SCANS=934 PEPMASS=157.1698 CHARGE=1 COLLISION_ENERGY=0.0 58.0651 140000.0 140.1433 200000.0 141.1471 14000.0 157.1698 290000.0 158.0963 11000.0 158.1731 19000.0 END IONS BEGIN IONS SCANS=935 PEPMASS=205.1182 CHARGE=1 COLLISION_ENERGY=0.0 72.0807 180000.0 END IONS BEGIN IONS SCANS=936 PEPMASS=166.0532 CHARGE=1 COLLISION_ENERGY=0.0 56.0494 90000.0 74.0236 370000.0 75.0263 86000.0 102.0548 79000.0 120.0807 32000.0 149.0265 67000.0 166.0532 84000.0 END IONS BEGIN IONS SCANS=937 PEPMASS=210.0169 CHARGE=1 COLLISION_ENERGY=0.0 118.9953 83000.0 146.0187 340000.0 210.017 82000.0 END IONS BEGIN IONS SCANS=938 PEPMASS=574.1288 CHARGE=1 COLLISION_ENERGY=0.0 97.0283 170000.0 136.0617 1000000.0 137.0661 29000.0 227.0661 21000.0 250.0934 12000.0 268.1038 20000.0 348.0717 15000.0 END IONS BEGIN IONS SCANS=939 PEPMASS=188.035 CHARGE=1 COLLISION_ENERGY=0.0 82.065 20000.0 124.0369 39000.0 128.0705 49000.0 141.1021 66000.0 142.0864 11000.0 170.0809 23000.0 187.1076 47000.0 188.0351 58000.0 END IONS BEGIN IONS SCANS=940 PEPMASS=166.053 CHARGE=1 COLLISION_ENERGY=0.0 56.0494 37000.0 74.0236 140000.0 75.0262 32000.0 102.0549 30000.0 120.0806 35000.0 149.0265 30000.0 166.0533 32000.0 END IONS BEGIN IONS SCANS=941 PEPMASS=147.0763 CHARGE=1 COLLISION_ENERGY=0.0 84.0444 240000.0 100.0216 31000.0 101.0708 32000.0 102.0551 11000.0 123.964 15000.0 130.0498 380000.0 131.0535 18000.0 146.0271 23000.0 147.0766 53000.0 END IONS BEGIN IONS SCANS=942 PEPMASS=169.0582 CHARGE=1 COLLISION_ENERGY=0.0 151.0477 41000.0 152.0321 22000.0 169.0586 11000.0 END IONS BEGIN IONS SCANS=943 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=944 PEPMASS=175.1075 CHARGE=1 COLLISION_ENERGY=0.0 70.065 22000.0 84.0807 270000.0 85.0648 16000.0 112.0756 89000.0 115.0864 69000.0 116.0705 25000.0 129.1022 110000.0 130.0862 120000.0 147.1127 35000.0 157.0969 12000.0 158.0812 39000.0 175.1075 170000.0 END IONS BEGIN IONS SCANS=945 PEPMASS=258.1446 CHARGE=1 COLLISION_ENERGY=0.0 84.0443 77000.0 84.0807 260000.0 104.1069 22000.0 112.0755 84000.0 129.0659 35000.0 129.1021 250000.0 139.0501 100000.0 150.0914 22000.0 167.0451 68000.0 167.1176 31000.0 178.0864 16000.0 181.0607 19000.0 195.1127 220000.0 213.1231 24000.0 222.1232 31000.0 223.1074 310000.0 224.1114 19000.0 240.1342 37000.0 241.1181 460000.0 242.1215 36000.0 258.1447 430000.0 259.1527 23000.0 END IONS BEGIN IONS SCANS=946 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=947 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=948 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=949 PEPMASS=106.0498 CHARGE=1 COLLISION_ENERGY=0.0 42.0338 78000.0 60.0444 4000000.0 61.0414 11000.0 61.0476 39000.0 70.0287 78000.0 88.0392 810000.0 106.0498 1300000.0 107.053 17000.0 END IONS BEGIN IONS SCANS=950 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=951 PEPMASS=227.1 CHARGE=1 COLLISION_ENERGY=0.0 182.0785 25000.0 209.0895 28000.0 210.0735 45000.0 227.1001 120000.0 END IONS BEGIN IONS SCANS=952 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=953 PEPMASS=365.1051 CHARGE=1 COLLISION_ENERGY=0.0 185.042 73000.0 203.0526 190000.0 365.1054 270000.0 366.1092 25000.0 END IONS BEGIN IONS SCANS=954 PEPMASS=277.038 CHARGE=1 COLLISION_ENERGY=0.0 120.0031 43000.0 150.0137 340000.0 END IONS BEGIN IONS SCANS=955 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=956 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=957 PEPMASS=230.1134 CHARGE=1 COLLISION_ENERGY=0.0 70.0651 350000.0 71.0491 29000.0 85.076 13000.0 90.0549 180000.0 97.0758 29000.0 99.0188 26000.0 113.0708 75000.0 115.0864 230000.0 116.0705 32000.0 138.1021 14000.0 139.0864 84000.0 141.0656 150000.0 159.0764 260000.0 166.0976 17000.0 184.1079 520000.0 185.1114 31000.0 212.1026 130000.0 230.1134 3100000.0 231.1169 220000.0 END IONS BEGIN IONS SCANS=958 PEPMASS=150.0136 CHARGE=1 COLLISION_ENERGY=0.0 62.9817 82000.0 120.0031 180000.0 149.0236 36000.0 150.0137 230000.0 END IONS BEGIN IONS SCANS=959 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=960 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=961 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=962 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=963 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=964 PEPMASS=268.1265 CHARGE=1 COLLISION_ENERGY=0.0 110.0712 17000.0 136.0615 20000.0 151.0477 110000.0 152.0318 82000.0 169.0583 250000.0 180.0265 66000.0 234.0737 12000.0 268.1268 380000.0 269.1302 21000.0 END IONS BEGIN IONS SCANS=965 PEPMASS=246.1446 CHARGE=1 COLLISION_ENERGY=0.0 72.0807 120000.0 84.044 13000.0 98.9839 11000.0 130.0498 110000.0 147.0763 210000.0 246.1449 19000.0 END IONS BEGIN IONS SCANS=966 PEPMASS=118.0861 CHARGE=1 COLLISION_ENERGY=0.0 59.0729 18000.0 72.0807 100000.0 118.0862 920000.0 119.09 29000.0 END IONS BEGIN IONS SCANS=967 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=968 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=969 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=970 PEPMASS=331.0597 CHARGE=1 COLLISION_ENERGY=0.0 159.0141 30000.0 159.9981 72000.0 177.0247 1000000.0 178.0276 29000.0 331.0614 18000.0 END IONS BEGIN IONS SCANS=971 PEPMASS=177.0245 CHARGE=1 COLLISION_ENERGY=0.0 62.9816 22000.0 117.9873 23000.0 141.9874 11000.0 159.0138 68000.0 159.998 160000.0 177.0245 380000.0 178.0274 10000.0 END IONS BEGIN IONS SCANS=972 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=973 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=974 PEPMASS=155.0426 CHARGE=1 COLLISION_ENERGY=0.0 110.0212 23000.0 138.016 110000.0 154.1338 17000.0 155.0426 430000.0 156.0456 16000.0 END IONS BEGIN IONS SCANS=975 PEPMASS=230.1133 CHARGE=1 COLLISION_ENERGY=0.0 70.0651 260000.0 71.0491 23000.0 90.0549 140000.0 95.0602 13000.0 97.0759 21000.0 99.019 11000.0 113.0709 70000.0 115.0766 12000.0 115.0865 170000.0 116.0706 25000.0 138.1027 13000.0 139.0865 60000.0 141.0656 130000.0 159.0764 200000.0 160.0786 11000.0 166.0971 13000.0 184.1078 390000.0 185.1109 19000.0 212.1029 130000.0 230.1134 2800000.0 231.1167 180000.0 END IONS BEGIN IONS SCANS=976 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=977 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=978 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=979 PEPMASS=133.0607 CHARGE=1 COLLISION_ENERGY=0.0 43.0178 25000.0 44.0494 61000.0 46.0287 100000.0 60.0443 15000.0 70.0286 40000.0 74.0236 1300000.0 75.027 20000.0 86.0963 560000.0 87.0552 1400000.0 87.0998 20000.0 88.0392 370000.0 88.0576 28000.0 98.0234 21000.0 99.0079 13000.0 116.0341 430000.0 117.0373 16000.0 132.102 12000.0 133.0606 940000.0 133.1042 57000.0 134.0644 31000.0 END IONS BEGIN IONS SCANS=980 PEPMASS=286.1507 CHARGE=1 COLLISION_ENERGY=0.0 60.0556 16000.0 70.0651 170000.0 84.0444 110000.0 112.0869 120000.0 113.071 23000.0 115.0865 93000.0 116.0706 270000.0 129.0655 19000.0 144.0654 10000.0 154.0611 130000.0 157.1087 13000.0 158.0924 61000.0 175.1189 71000.0 181.0974 29000.0 183.1124 18000.0 198.1239 11000.0 206.0925 15000.0 208.1076 10000.0 209.0923 25000.0 224.1028 26000.0 226.1183 43000.0 227.1027 170000.0 241.13 19000.0 244.1296 15000.0 251.1143 30000.0 252.098 88000.0 268.1394 37000.0 269.1241 100000.0 286.151 990000.0 287.1541 57000.0 END IONS BEGIN IONS SCANS=981 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=982 PEPMASS=247.1286 CHARGE=1 COLLISION_ENERGY=0.0 55.0541 45000.0 72.0807 940000.0 73.0839 26000.0 84.0443 29000.0 102.0548 33000.0 130.0498 62000.0 148.0603 300000.0 247.1287 53000.0 END IONS BEGIN IONS SCANS=983 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=984 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=985 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=986 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=987 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=988 PEPMASS=361.1978 CHARGE=1 COLLISION_ENERGY=0.0 60.0556 59000.0 70.0651 200000.0 112.0867 81000.0 114.1022 11000.0 115.0864 23000.0 116.0706 16000.0 130.0652 18000.0 140.0817 30000.0 157.1084 41000.0 158.0922 27000.0 159.0913 25000.0 175.1188 220000.0 188.0704 42000.0 205.0971 13000.0 301.165 18000.0 302.1485 27000.0 327.1451 12000.0 344.1715 100000.0 345.174 11000.0 361.1979 330000.0 362.2008 46000.0 END IONS BEGIN IONS SCANS=989 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=990 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=991 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=992 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=993 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=994 PEPMASS=296.0657 CHARGE=1 COLLISION_ENERGY=0.0 86.0964 190000.0 104.1069 890000.0 105.1103 27000.0 236.9926 290000.0 296.066 240000.0 297.0694 13000.0 END IONS BEGIN IONS SCANS=995 PEPMASS=280.0919 CHARGE=1 COLLISION_ENERGY=0.0 56.6415 17000.0 68.4928 13000.0 71.0731 18000.0 85.41 16000.0 85.947 14000.0 86.0963 920000.0 87.0995 29000.0 88.0766 16000.0 104.1069 3700000.0 105.1105 110000.0 146.9813 59000.0 155.4504 15000.0 164.012 13000.0 165.0124 17000.0 176.9921 64000.0 221.0185 7000000.0 222.0219 200000.0 224.8703 14000.0 280.0919 1600000.0 281.0941 91000.0 END IONS BEGIN IONS SCANS=996 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=997 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=998 PEPMASS=537.1943 CHARGE=1 COLLISION_ENERGY=0.0 86.0963 850000.0 87.0996 28000.0 87.2578 24000.0 104.1069 4800000.0 105.1103 150000.0 146.9822 25000.0 176.9926 48000.0 191.9003 25000.0 221.0184 7600000.0 222.0219 260000.0 250.9349 22000.0 280.0918 7900000.0 281.0946 470000.0 338.2541 26000.0 358.2368 24000.0 387.5111 25000.0 489.4497 22000.0 537.1983 68000.0 END IONS BEGIN IONS SCANS=999 PEPMASS=259.1133 CHARGE=1 COLLISION_ENERGY=0.0 57.0334 22000.0 58.0659 95000.0 60.0807 780000.0 61.0778 23000.0 61.0841 45000.0 71.073 58000.0 86.0963 2700000.0 87.0996 260000.0 96.0145 25000.0 98.9841 86000.0 104.107 32000000.0 105.1104 3200000.0 106.1116 81000.0 124.5073 21000.0 124.9997 4800000.0 126.0029 200000.0 127.0041 39000.0 166.0619 50000.0 181.0262 74000.0 184.0732 4100000.0 185.0767 440000.0 186.0777 37000.0 199.0367 170000.0 240.0992 150000.0 258.1099 4900000.0 259.0779 46000.0 259.1129 860000.0 260.1147 84000.0 END IONS BEGIN IONS SCANS=1000 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1001 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1002 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1003 PEPMASS=258.1099 CHARGE=1 COLLISION_ENERGY=0.0 53.8555 100000.0 58.066 210000.0 60.0807 1100000.0 60.0841 100000.0 60.11 85000.0 63.9968 95000.0 64.1271 110000.0 73.8988 80000.0 86.0963 4300000.0 90.5001 95000.0 101.2481 84000.0 103.9784 86000.0 104.1069 59000000.0 105.1103 1700000.0 106.2079 97000.0 110.1301 88000.0 124.9997 8300000.0 163.9339 92000.0 165.459 91000.0 165.9462 95000.0 166.0631 140000.0 181.0271 150000.0 184.0731 7200000.0 185.0764 260000.0 199.0367 360000.0 240.1004 240000.0 258.1099 10000000.0 259.1136 490000.0 END IONS BEGIN IONS SCANS=1004 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1005 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1006 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1007 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1008 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1009 PEPMASS=153.0769 CHARGE=1 COLLISION_ENERGY=0.0 56.0494 36000.0 64.0294 14000.0 102.0549 13000.0 107.0716 79000.0 136.0504 48000.0 153.0772 19000.0 END IONS BEGIN IONS SCANS=1010 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1011 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1012 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1013 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1014 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1015 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1016 PEPMASS=322.187 CHARGE=1 COLLISION_ENERGY=0.0 60.0556 74000.0 70.0651 280000.0 112.0869 90000.0 115.0861 21000.0 116.0704 20000.0 120.0807 43000.0 140.0816 23000.0 157.1084 28000.0 158.0926 31000.0 175.1189 210000.0 190.0972 11000.0 242.1286 13000.0 246.1122 16000.0 259.1563 14000.0 262.1547 35000.0 263.1382 39000.0 288.1343 14000.0 305.1608 130000.0 306.1642 12000.0 322.1873 380000.0 323.1899 42000.0 END IONS BEGIN IONS SCANS=1017 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1018 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1019 PEPMASS=348.0697 CHARGE=1 COLLISION_ENERGY=0.0 85.0283 16000.0 97.0284 23000.0 98.9841 19000.0 136.0617 550000.0 137.066 20000.0 164.9945 23000.0 173.1283 17000.0 213.0158 11000.0 249.0486 11000.0 348.07 52000.0 END IONS BEGIN IONS SCANS=1020 PEPMASS=156.1494 CHARGE=1 COLLISION_ENERGY=0.0 72.0807 440000.0 73.0842 13000.0 85.076 550000.0 86.0792 18000.0 110.0712 17000.0 156.1494 390000.0 157.1525 23000.0 END IONS BEGIN IONS SCANS=1021 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1022 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1023 PEPMASS=255.145 CHARGE=1 COLLISION_ENERGY=0.0 83.0603 13000.0 93.0449 13000.0 97.0282 11000.0 110.0712 1600000.0 111.075 54000.0 138.0661 72000.0 156.0768 100000.0 164.118 57000.0 192.1128 11000.0 209.1396 190000.0 210.1424 12000.0 237.1344 90000.0 255.145 300000.0 256.1479 23000.0 END IONS BEGIN IONS SCANS=1024 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1025 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1026 PEPMASS=198.0848 CHARGE=1 COLLISION_ENERGY=0.0 138.0524 81000.0 153.0633 120000.0 155.0789 34000.0 181.0581 53000.0 198.0847 200000.0 END IONS BEGIN IONS SCANS=1027 PEPMASS=176.1028 CHARGE=1 COLLISION_ENERGY=0.0 70.0652 42000.0 113.071 63000.0 114.0546 11000.0 115.0864 15000.0 116.0705 14000.0 159.0765 110000.0 END IONS BEGIN IONS SCANS=1028 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1029 PEPMASS=288.2029 CHARGE=1 COLLISION_ENERGY=0.0 60.0556 590000.0 70.0651 2100000.0 71.0491 14000.0 71.0686 34000.0 78.5474 16000.0 86.0962 150000.0 88.0755 39000.0 97.0759 36000.0 98.06 63000.0 112.0868 520000.0 113.0908 15000.0 115.0865 90000.0 116.0704 96000.0 119.0319 13000.0 130.0973 49000.0 140.0817 120000.0 150.5893 14000.0 156.1133 41000.0 157.1082 170000.0 158.0922 190000.0 166.1225 22000.0 175.1188 1700000.0 176.1227 72000.0 182.1643 30000.0 183.1487 39000.0 205.3613 14000.0 208.1429 61000.0 211.1435 22000.0 212.1278 99000.0 221.1682 13000.0 225.1707 110000.0 228.1704 280000.0 229.1543 430000.0 229.1817 24000.0 230.1563 28000.0 242.1983 16000.0 253.1662 25000.0 254.1495 98000.0 270.192 32000.0 271.1764 930000.0 272.1786 81000.0 288.2028 3500000.0 289.2055 300000.0 END IONS BEGIN IONS SCANS=1030 PEPMASS=289.2066 CHARGE=1 COLLISION_ENERGY=0.0 60.0556 310000.0 70.0651 1100000.0 71.0491 11000.0 71.0683 83000.0 86.0964 76000.0 88.0756 22000.0 97.0758 24000.0 98.0599 46000.0 112.0867 270000.0 113.0902 24000.0 115.0863 58000.0 116.0705 64000.0 130.0971 20000.0 132.102 12000.0 140.0814 56000.0 156.1126 30000.0 157.108 81000.0 158.0927 100000.0 158.1095 11000.0 166.1225 13000.0 175.1188 870000.0 176.1222 120000.0 183.1496 20000.0 208.1443 31000.0 212.1275 57000.0 213.1306 12000.0 225.1715 49000.0 226.1747 13000.0 228.1706 110000.0 229.1532 170000.0 230.1566 60000.0 242.1974 11000.0 254.1474 49000.0 255.1529 12000.0 270.1913 12000.0 271.1762 440000.0 272.1787 140000.0 288.2028 1500000.0 289.2056 520000.0 290.2077 40000.0 END IONS BEGIN IONS SCANS=1031 PEPMASS=168.0766 CHARGE=1 COLLISION_ENERGY=0.0 95.0603 180000.0 124.0867 21000.0 168.0766 170000.0 END IONS BEGIN IONS SCANS=1032 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1033 PEPMASS=229.1294 CHARGE=1 COLLISION_ENERGY=0.0 70.0651 440000.0 72.0807 25000.0 86.0711 14000.0 114.0661 300000.0 116.0705 270000.0 138.1025 15000.0 159.1126 47000.0 166.0973 200000.0 167.1 10000.0 184.1078 64000.0 211.1184 22000.0 212.1028 54000.0 228.1706 10000.0 229.0823 87000.0 229.1293 340000.0 230.1347 22000.0 230.1863 48000.0 END IONS BEGIN IONS SCANS=1034 PEPMASS=251.1113 CHARGE=1 COLLISION_ENERGY=0.0 190.0947 32000.0 206.0898 140000.0 234.0847 90000.0 251.1113 220000.0 252.1143 14000.0 END IONS BEGIN IONS SCANS=1035 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1036 PEPMASS=294.181 CHARGE=1 COLLISION_ENERGY=0.0 84.0807 1000000.0 85.084 27000.0 101.1072 61000.0 120.0806 32000.0 129.1021 190000.0 130.0863 33000.0 147.1126 84000.0 166.0857 13000.0 260.1261 14000.0 277.1544 77000.0 294.1808 110000.0 295.1833 12000.0 END IONS BEGIN IONS SCANS=1037 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1038 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1039 PEPMASS=258.1447 CHARGE=1 COLLISION_ENERGY=0.0 60.0807 18000.0 84.0443 53000.0 84.0807 110000.0 86.0963 64000.0 102.0548 24000.0 104.1069 660000.0 105.1102 22000.0 124.9997 110000.0 129.1021 200000.0 130.0861 80000.0 147.1127 46000.0 157.0969 26000.0 184.0732 96000.0 195.1132 11000.0 222.1237 15000.0 240.1345 25000.0 241.1173 11000.0 258.1101 59000.0 258.1449 150000.0 259.1478 12000.0 END IONS BEGIN IONS SCANS=1040 PEPMASS=365.1052 CHARGE=1 COLLISION_ENERGY=0.0 185.0424 11000.0 203.0523 26000.0 365.1055 250000.0 366.1085 25000.0 END IONS BEGIN IONS SCANS=1041 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1042 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1043 PEPMASS=258.1446 CHARGE=1 COLLISION_ENERGY=0.0 84.0443 40000.0 84.0807 87000.0 86.0963 30000.0 102.0547 17000.0 104.1069 370000.0 105.1104 15000.0 124.9997 56000.0 129.1021 160000.0 130.0861 61000.0 147.1126 42000.0 157.0969 22000.0 184.0732 44000.0 222.1233 11000.0 240.1337 21000.0 258.1098 54000.0 258.1447 110000.0 END IONS BEGIN IONS SCANS=1044 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1045 PEPMASS=216.063 CHARGE=1 COLLISION_ENERGY=0.0 62.06 15000.0 216.0983 21000.0 END IONS BEGIN IONS SCANS=1046 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1047 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1048 PEPMASS=238.0448 CHARGE=1 COLLISION_ENERGY=0.0 176.9922 48000.0 195.0027 500000.0 196.0056 11000.0 238.045 39000.0 END IONS BEGIN IONS SCANS=1049 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1050 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1051 PEPMASS=269.1605 CHARGE=1 COLLISION_ENERGY=0.0 86.0963 220000.0 95.0602 21000.0 110.0712 550000.0 111.075 11000.0 156.0768 1900000.0 157.0803 60000.0 166.0609 88000.0 178.1336 25000.0 207.1593 11000.0 223.1553 33000.0 234.1235 30000.0 251.15 130000.0 269.1606 200000.0 270.1635 15000.0 END IONS BEGIN IONS SCANS=1052 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1053 PEPMASS=260.1967 CHARGE=1 COLLISION_ENERGY=0.0 84.0807 13000000.0 85.0646 35000.0 85.0839 390000.0 86.0963 250000.0 101.1072 850000.0 102.0914 100000.0 111.0911 28000.0 112.0755 110000.0 129.1021 2200000.0 130.0862 460000.0 130.1059 100000.0 132.1019 100000.0 141.101 34000.0 147.1126 1500000.0 148.1156 44000.0 163.168 27000.0 167.9792 61000.0 182.3181 28000.0 197.1647 170000.0 198.9739 110000.0 214.1917 33000.0 225.1597 100000.0 226.1431 120000.0 227.1467 32000.0 242.1855 150000.0 243.1701 1700000.0 244.1721 120000.0 260.0269 47000.0 260.1257 160000.0 260.1966 2600000.0 261.1994 200000.0 END IONS BEGIN IONS SCANS=1054 PEPMASS=261.2001 CHARGE=1 COLLISION_ENERGY=0.0 56.0493 40000.0 67.0543 23000.0 84.0808 7300000.0 85.0647 33000.0 85.078 41000.0 85.0839 690000.0 86.0963 150000.0 87.0996 12000.0 101.1072 430000.0 102.0912 72000.0 102.1105 39000.0 111.0912 17000.0 112.0758 56000.0 129.1021 1100000.0 130.0863 280000.0 130.1056 130000.0 131.0899 39000.0 132.1017 54000.0 141.1021 22000.0 147.1126 780000.0 148.1162 100000.0 180.1385 11000.0 197.1644 77000.0 198.168 17000.0 214.1899 18000.0 224.1751 19000.0 225.1593 57000.0 226.143 75000.0 227.1469 16000.0 242.1857 50000.0 243.1699 740000.0 244.1734 190000.0 260.1261 30000.0 260.1966 920000.0 261.1055 10000.0 261.1998 250000.0 262.2026 11000.0 END IONS BEGIN IONS SCANS=1055 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1056 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1057 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1058 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1059 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1060 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1061 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1062 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1063 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1064 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1065 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1066 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1067 PEPMASS=149.0636 CHARGE=1 COLLISION_ENERGY=0.0 41.0386 29000.0 56.0494 260000.0 56.0527 20000.0 78.1761 11000.0 84.0444 14000000.0 85.0284 270000.0 85.0415 97000.0 85.0476 1200000.0 86.0319 18000.0 86.0491 26000.0 102.0549 6700000.0 103.0392 16000.0 103.0584 560000.0 104.0596 32000.0 130.0498 6600000.0 131.0353 120000.0 131.0534 730000.0 132.0381 13000.0 132.0545 47000.0 148.0604 2900000.0 149.0236 30000.0 149.0636 350000.0 150.065 35000.0 END IONS BEGIN IONS SCANS=1068 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1069 PEPMASS=130.0497 CHARGE=1 COLLISION_ENERGY=0.0 41.0386 45000.0 56.0493 77000.0 76.6905 17000.0 76.7752 17000.0 80.2489 15000.0 83.3371 15000.0 84.0444 14000000.0 85.0284 190000.0 85.0415 32000.0 85.0476 480000.0 99.9265 16000.0 102.055 180000.0 130.0498 7300000.0 130.1589 48000.0 131.0345 22000.0 131.0536 310000.0 END IONS BEGIN IONS SCANS=1070 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1071 PEPMASS=148.0603 CHARGE=1 COLLISION_ENERGY=0.0 41.4082 75000.0 42.8833 75000.0 53.7356 74000.0 56.0495 330000.0 64.6032 79000.0 84.0443 26000000.0 85.0284 560000.0 85.0474 780000.0 85.0528 76000.0 98.2032 67000.0 102.0548 14000000.0 103.0583 550000.0 130.0497 15000000.0 131.0339 330000.0 131.0533 630000.0 148.0603 7400000.0 149.0638 330000.0 END IONS BEGIN IONS SCANS=1072 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1073 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1074 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1075 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1076 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1077 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1078 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1079 PEPMASS=288.2028 CHARGE=1 COLLISION_ENERGY=0.0 60.0556 900000.0 70.0651 3000000.0 71.0492 39000.0 71.0683 55000.0 72.0808 41000.0 74.4934 21000.0 86.0963 460000.0 88.0756 59000.0 97.076 34000.0 98.0597 110000.0 103.9058 21000.0 112.0868 670000.0 114.1024 36000.0 115.0864 160000.0 116.0706 220000.0 130.0975 98000.0 132.1016 57000.0 133.265 22000.0 140.0819 180000.0 156.1122 110000.0 157.1082 280000.0 158.0923 260000.0 166.1234 32000.0 175.1189 3700000.0 176.1224 130000.0 176.6519 22000.0 182.1654 64000.0 183.1493 120000.0 184.1335 31000.0 185.1019 25000.0 187.1478 22000.0 208.145 120000.0 211.1454 33000.0 212.1287 140000.0 225.1713 230000.0 228.1709 290000.0 229.1543 680000.0 230.1574 63000.0 242.1967 65000.0 246.1834 26000.0 253.1651 52000.0 254.1492 110000.0 270.1929 47000.0 271.1764 1400000.0 272.1778 110000.0 288.2029 6000000.0 289.2058 510000.0 300.2288 20000.0 END IONS BEGIN IONS SCANS=1080 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1081 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1082 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1083 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1084 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1085 PEPMASS=221.1129 CHARGE=1 COLLISION_ENERGY=0.0 56.0494 25000.0 74.06 400000.0 84.0442 14000.0 102.0548 29000.0 120.0655 180000.0 130.0499 30000.0 130.0863 11000.0 159.0764 27000.0 203.1027 59000.0 221.1131 23000.0 END IONS BEGIN IONS SCANS=1086 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1087 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1088 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1089 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1090 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1091 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1092 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1093 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1094 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1095 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1096 PEPMASS=366.1085 CHARGE=1 COLLISION_ENERGY=0.0 84.0803 11000.0 185.0419 40000.0 203.0525 910000.0 204.0562 110000.0 205.0562 17000.0 365.1054 3200000.0 366.1089 930000.0 367.1103 150000.0 END IONS BEGIN IONS SCANS=1097 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1098 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1099 PEPMASS=365.1052 CHARGE=1 COLLISION_ENERGY=0.0 89.8658 18000.0 118.8936 17000.0 139.8787 17000.0 185.0417 89000.0 203.0525 1700000.0 204.057 91000.0 343.6842 19000.0 365.1053 7900000.0 366.1092 750000.0 366.151 16000.0 366.1683 25000.0 END IONS BEGIN IONS SCANS=1100 PEPMASS=118.0861 CHARGE=1 COLLISION_ENERGY=0.0 59.0729 11000.0 72.0807 110000.0 118.0861 450000.0 119.0899 16000.0 END IONS BEGIN IONS SCANS=1101 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1102 PEPMASS=360.1497 CHARGE=1 COLLISION_ENERGY=0.0 61.0283 13000.0 69.0336 14000.0 72.0808 110000.0 84.0807 80000.0 85.0284 220000.0 86.0964 370000.0 87.0998 24000.0 91.0391 19000.0 97.0283 39000.0 109.0283 17000.0 127.0388 76000.0 129.102 110000.0 130.0862 170000.0 131.0898 13000.0 145.0494 120000.0 147.1126 300000.0 148.1163 17000.0 163.0598 28000.0 185.1647 220000.0 186.1675 24000.0 213.1586 44000.0 228.1706 12000.0 246.1813 77000.0 248.0872 10000.0 260.197 18000.0 359.2657 74000.0 360.2711 18000.0 END IONS BEGIN IONS SCANS=1103 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1104 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1105 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1106 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1107 PEPMASS=359.2649 CHARGE=1 COLLISION_ENERGY=0.0 72.0808 77000.0 84.0807 71000.0 85.0283 88000.0 86.0963 300000.0 87.0999 12000.0 97.0283 18000.0 127.0387 28000.0 129.1021 86000.0 130.0862 140000.0 145.0492 44000.0 147.1127 290000.0 148.116 12000.0 163.0601 14000.0 185.1647 210000.0 186.1688 20000.0 213.1599 51000.0 228.1707 12000.0 246.1809 94000.0 359.2651 79000.0 360.269 13000.0 END IONS BEGIN IONS SCANS=1108 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1109 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1110 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1111 PEPMASS=260.1967 CHARGE=1 COLLISION_ENERGY=0.0 55.416 11000.0 63.4637 10000.0 70.064 13000.0 84.0807 5400000.0 85.0648 25000.0 85.0776 19000.0 85.084 160000.0 86.0963 160000.0 86.8324 12000.0 101.1072 330000.0 102.0914 61000.0 112.0756 39000.0 121.3207 10000.0 129.1021 1000000.0 130.0862 200000.0 130.1057 29000.0 132.1019 43000.0 147.1126 770000.0 148.1164 49000.0 152.1432 16000.0 173.7248 11000.0 180.1395 13000.0 181.1697 15000.0 197.1644 130000.0 198.1677 14000.0 214.1914 33000.0 224.176 12000.0 225.1598 27000.0 226.1419 58000.0 227.7938 11000.0 236.3889 11000.0 242.1864 32000.0 243.17 710000.0 244.1736 68000.0 260.1967 1000000.0 261.1985 89000.0 END IONS BEGIN IONS SCANS=1112 PEPMASS=261.2001 CHARGE=1 COLLISION_ENERGY=0.0 56.0494 12000.0 84.0808 2900000.0 85.0651 12000.0 85.078 17000.0 85.084 270000.0 86.0963 84000.0 101.1072 160000.0 102.0912 28000.0 102.1105 14000.0 112.0757 29000.0 129.1021 500000.0 130.0863 110000.0 130.1058 50000.0 131.0892 11000.0 132.1017 28000.0 147.1126 380000.0 148.1162 46000.0 180.138 11000.0 197.1646 61000.0 198.1679 13000.0 214.1915 17000.0 225.157 12000.0 226.1421 29000.0 242.1866 19000.0 243.17 330000.0 244.1738 95000.0 260.1967 430000.0 261.1999 120000.0 END IONS BEGIN IONS SCANS=1113 PEPMASS=433.0925 CHARGE=1 COLLISION_ENERGY=0.0 104.9919 10000.0 203.0524 20000.0 365.1055 140000.0 366.1079 12000.0 END IONS BEGIN IONS SCANS=1114 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1115 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1116 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1117 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1118 PEPMASS=345.2242 CHARGE=1 COLLISION_ENERGY=0.0 60.0556 38000.0 70.065 150000.0 71.0491 11000.0 86.0963 33000.0 88.0756 18000.0 112.0867 72000.0 115.0864 17000.0 140.0813 24000.0 143.1178 18000.0 157.1082 44000.0 175.1187 16000.0 183.1491 53000.0 189.123 17000.0 210.1601 19000.0 225.1707 130000.0 226.173 11000.0 242.1968 23000.0 270.1916 15000.0 328.1976 80000.0 345.224 360000.0 346.2278 39000.0 END IONS BEGIN IONS SCANS=1119 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1120 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1121 PEPMASS=203.1502 CHARGE=1 COLLISION_ENERGY=0.0 46.0651 350000.0 70.0651 470000.0 71.0603 100000.0 71.0685 13000.0 72.0808 54000.0 88.0868 470000.0 112.0866 18000.0 114.1027 11000.0 115.0864 45000.0 116.0705 560000.0 117.0738 19000.0 133.0973 29000.0 158.0927 110000.0 158.1286 390000.0 159.1325 13000.0 203.1502 1600000.0 204.1534 83000.0 END IONS BEGIN IONS SCANS=1122 PEPMASS=188.1756 CHARGE=1 COLLISION_ENERGY=0.0 72.0807 240000.0 100.0756 230000.0 117.1022 30000.0 171.1491 77000.0 188.1756 68000.0 END IONS BEGIN IONS SCANS=1123 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1124 PEPMASS=294.1671 CHARGE=1 COLLISION_ENERGY=0.0 83.0603 13000.0 110.0712 71000.0 112.0869 14000.0 123.0554 12000.0 140.0816 27000.0 155.0807 13000.0 207.088 15000.0 207.1239 34000.0 234.1349 48000.0 235.1187 270000.0 236.1219 17000.0 249.1458 47000.0 277.1407 180000.0 278.1433 16000.0 294.1672 310000.0 295.1703 24000.0 END IONS BEGIN IONS SCANS=1125 PEPMASS=335.034 CHARGE=1 COLLISION_ENERGY=0.0 182.0427 19000.0 199.9808 17000.0 214.0142 24000.0 263.0125 11000.0 290.0133 18000.0 335.0341 72000.0 END IONS BEGIN IONS SCANS=1126 PEPMASS=313.0521 CHARGE=1 COLLISION_ENERGY=0.0 74.0058 21000.0 74.0236 15000.0 88.0392 25000.0 110.0712 16000.0 120.0113 58000.0 120.9955 13000.0 122.0269 33000.0 148.0421 15000.0 151.9837 25000.0 153.9991 23000.0 160.0596 17000.0 177.9992 27000.0 192.0324 490000.0 193.0358 24000.0 194.0481 94000.0 241.0311 33000.0 267.0471 13000.0 313.0523 22000.0 END IONS BEGIN IONS SCANS=1127 PEPMASS=289.2066 CHARGE=1 COLLISION_ENERGY=0.0 60.0556 130000.0 69.0698 19000.0 70.065 150000.0 72.0807 17000.0 86.0963 670000.0 87.0996 64000.0 112.0867 52000.0 113.071 11000.0 114.1024 20000.0 115.0864 62000.0 116.0704 130000.0 117.0738 11000.0 130.0974 48000.0 133.097 24000.0 156.1129 190000.0 157.1083 20000.0 157.1163 16000.0 158.0922 180000.0 159.0959 23000.0 175.1188 1200000.0 176.1222 160000.0 183.1494 10000.0 185.1032 31000.0 211.1443 10000.0 228.1706 21000.0 229.1535 38000.0 230.1568 14000.0 253.1655 64000.0 254.174 18000.0 270.1914 24000.0 271.1756 140000.0 272.179 52000.0 288.2028 1200000.0 289.2056 420000.0 290.2085 26000.0 END IONS BEGIN IONS SCANS=1128 PEPMASS=288.2029 CHARGE=1 COLLISION_ENERGY=0.0 60.0521 17000.0 60.0556 230000.0 65.998 11000.0 69.0698 26000.0 70.0651 270000.0 72.0807 38000.0 86.0963 1200000.0 87.0995 44000.0 112.0868 110000.0 113.0704 23000.0 114.1024 43000.0 115.0866 120000.0 116.0704 220000.0 127.9628 13000.0 130.0975 100000.0 130.4537 12000.0 133.0968 43000.0 138.0655 14000.0 140.0819 23000.0 156.113 410000.0 157.1066 63000.0 158.0923 370000.0 159.0935 14000.0 165.206 12000.0 168.503 14000.0 169.9923 12000.0 175.1188 2500000.0 176.1222 110000.0 183.1484 24000.0 185.1034 79000.0 211.1443 35000.0 225.1699 28000.0 226.1546 19000.0 228.171 34000.0 229.1534 86000.0 253.1656 150000.0 254.1488 17000.0 270.191 40000.0 271.1393 23000.0 271.1762 390000.0 272.1787 27000.0 288.2028 3100000.0 289.2057 260000.0 END IONS BEGIN IONS SCANS=1129 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1130 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1131 PEPMASS=218.1862 CHARGE=1 COLLISION_ENERGY=0.0 72.0807 570000.0 73.084 12000.0 102.055 13000.0 130.0862 610000.0 131.0896 23000.0 147.1127 92000.0 201.1595 290000.0 202.1633 17000.0 218.1861 290000.0 219.189 18000.0 END IONS BEGIN IONS SCANS=1132 PEPMASS=306.0616 CHARGE=1 COLLISION_ENERGY=0.0 60.0555 34000.0 70.0651 120000.0 104.0524 11000.0 112.0869 35000.0 143.0314 82000.0 157.1084 10000.0 158.0923 14000.0 175.119 91000.0 186.0193 53000.0 199.1073 12000.0 246.1278 13000.0 247.1102 20000.0 262.0719 22000.0 289.1346 83000.0 306.0623 89000.0 306.1592 200000.0 307.1527 27000.0 END IONS BEGIN IONS SCANS=1133 PEPMASS=188.1756 CHARGE=1 COLLISION_ENERGY=0.0 58.0651 24000.0 72.0807 24000.0 84.0808 16000.0 112.112 24000.0 114.0912 70000.0 131.1177 15000.0 171.1491 110000.0 187.1444 19000.0 188.1756 170000.0 END IONS BEGIN IONS SCANS=1134 PEPMASS=260.1967 CHARGE=1 COLLISION_ENERGY=0.0 84.0807 160000.0 86.0963 160000.0 101.1071 15000.0 129.1021 150000.0 130.0861 150000.0 147.1127 230000.0 148.1157 11000.0 242.1857 15000.0 243.169 16000.0 260.1966 84000.0 END IONS BEGIN IONS SCANS=1135 PEPMASS=306.1593 CHARGE=1 COLLISION_ENERGY=0.0 60.0556 37000.0 70.0651 140000.0 104.0527 13000.0 112.0868 39000.0 143.0314 51000.0 157.1083 11000.0 158.0927 16000.0 175.1189 99000.0 186.0196 27000.0 199.1079 15000.0 246.1266 16000.0 247.1109 24000.0 262.0718 17000.0 289.1351 94000.0 306.0627 60000.0 306.1592 200000.0 307.1546 31000.0 END IONS BEGIN IONS SCANS=1136 PEPMASS=284.0797 CHARGE=1 COLLISION_ENERGY=0.0 57.0336 11000.0 60.0444 22000.0 61.0282 15000.0 69.0334 27000.0 73.0286 14000.0 74.0059 10000.0 76.0215 17000.0 85.0283 200000.0 86.9897 16000.0 97.0283 42000.0 98.9899 27000.0 99.0439 19000.0 100.0214 250000.0 103.0389 54000.0 105.0004 33000.0 109.0285 24000.0 112.0215 13000.0 118.0322 38000.0 122.0269 350000.0 127.0388 69000.0 132.0112 10000.0 142.032 20000.0 145.0492 57000.0 146.0269 410000.0 147.0302 12000.0 158.0269 63000.0 164.0373 90000.0 166.0315 16000.0 170.0272 13000.0 171.0105 24000.0 184.0425 19000.0 188.0376 75000.0 200.0374 26000.0 202.0532 20000.0 212.0376 26000.0 230.0481 30000.0 248.0587 64000.0 284.0799 70000.0 END IONS BEGIN IONS SCANS=1137 PEPMASS=324.0588 CHARGE=1 COLLISION_ENERGY=0.0 112.0504 140000.0 END IONS BEGIN IONS SCANS=1138 PEPMASS=219.0974 CHARGE=1 COLLISION_ENERGY=0.0 84.0443 36000.0 102.0548 45000.0 130.0497 120000.0 147.0762 37000.0 148.0603 260000.0 173.0916 11000.0 184.0608 17000.0 201.0868 13000.0 219.0971 22000.0 219.1736 12000.0 END IONS BEGIN IONS SCANS=1139 PEPMASS=148.0603 CHARGE=1 COLLISION_ENERGY=0.0 84.0443 430000.0 85.0476 18000.0 102.0549 210000.0 130.0497 220000.0 148.0603 110000.0 149.0232 31000.0 END IONS BEGIN IONS SCANS=1140 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1141 PEPMASS=154.0167 CHARGE=1 COLLISION_ENERGY=0.0 44.0494 73000.0 56.0494 21000.0 74.0236 96000.0 88.0393 22000.0 89.0472 14000.0 107.0716 39000.0 108.0113 17000.0 136.0061 29000.0 136.0504 28000.0 153.0774 11000.0 154.0168 27000.0 END IONS BEGIN IONS SCANS=1142 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1143 PEPMASS=195.0432 CHARGE=1 COLLISION_ENERGY=0.0 85.0759 16000.0 88.0392 26000.0 112.0392 76000.0 129.0658 230000.0 194.1172 11000.0 195.0429 12000.0 END IONS BEGIN IONS SCANS=1144 PEPMASS=290.1345 CHARGE=1 COLLISION_ENERGY=0.0 58.0651 710000.0 59.0683 14000.0 84.0443 77000.0 124.0757 15000.0 130.0498 53000.0 161.0919 270000.0 169.0973 14000.0 170.0813 25000.0 197.0925 14000.0 215.1026 100000.0 227.1028 25000.0 273.1076 25000.0 290.1344 69000.0 END IONS BEGIN IONS SCANS=1145 PEPMASS=283.0415 CHARGE=1 COLLISION_ENERGY=0.0 74.0058 39000.0 74.0233 13000.0 85.0283 36000.0 88.0391 30000.0 100.0213 52000.0 112.0391 13000.0 116.0163 49000.0 118.0319 14000.0 120.0112 94000.0 120.9952 54000.0 122.0269 180000.0 127.0388 16000.0 130.0493 23000.0 136.9721 15000.0 145.0495 10000.0 146.0269 93000.0 151.9834 50000.0 153.999 54000.0 158.0264 15000.0 162.0218 940000.0 163.0247 26000.0 164.0374 200000.0 177.9988 43000.0 188.0378 14000.0 195.0265 14000.0 237.036 52000.0 241.031 48000.0 248.0584 13000.0 283.0415 48000.0 284.0814 17000.0 END IONS BEGIN IONS SCANS=1146 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1147 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1148 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1149 PEPMASS=207.0974 CHARGE=1 COLLISION_ENERGY=0.0 56.0493 13000.0 60.0443 57000.0 74.06 200000.0 102.0547 16000.0 106.0498 26000.0 120.0653 68000.0 130.0498 12000.0 189.0867 32000.0 207.0974 17000.0 END IONS BEGIN IONS SCANS=1150 PEPMASS=308.0909 CHARGE=1 COLLISION_ENERGY=0.0 58.995 16000.0 76.0215 410000.0 76.0391 14000.0 84.0443 100000.0 116.0163 87000.0 130.0498 100000.0 142.0322 45000.0 144.0113 76000.0 162.0219 320000.0 163.0257 11000.0 170.0269 23000.0 179.0484 250000.0 187.0536 13000.0 215.0482 18000.0 233.059 87000.0 245.0591 28000.0 291.0644 17000.0 308.0912 24000.0 END IONS BEGIN IONS SCANS=1151 PEPMASS=613.1511 CHARGE=1 COLLISION_ENERGY=0.0 97.0283 160000.0 136.0617 210000.0 152.0565 11000.0 174.0386 11000.0 249.0496 12000.0 250.0938 14000.0 268.1036 13000.0 347.0255 22000.0 462.1028 46000.0 END IONS BEGIN IONS SCANS=1152 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1153 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1154 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1155 PEPMASS=317.2181 CHARGE=1 COLLISION_ENERGY=0.0 84.0807 75000.0 86.0964 25000.0 129.1021 76000.0 130.0862 43000.0 143.1179 73000.0 147.1127 52000.0 204.1343 11000.0 317.1465 18000.0 317.2177 44000.0 END IONS BEGIN IONS SCANS=1156 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1157 PEPMASS=260.1967 CHARGE=1 COLLISION_ENERGY=0.0 69.0699 23000.0 84.0807 260000.0 86.0963 580000.0 87.0996 19000.0 101.1071 27000.0 129.1021 370000.0 130.0861 480000.0 130.106 12000.0 131.0894 18000.0 147.1126 790000.0 148.1161 30000.0 242.1862 34000.0 243.1683 18000.0 260.1966 230000.0 261.1995 18000.0 END IONS BEGIN IONS SCANS=1158 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1159 PEPMASS=345.2493 CHARGE=1 COLLISION_ENERGY=0.0 70.0651 16000.0 72.0807 210000.0 84.0807 46000.0 129.1022 68000.0 130.0862 110000.0 134.0325 44000.0 147.1127 220000.0 148.116 11000.0 171.1491 160000.0 172.1528 11000.0 199.1438 36000.0 234.9978 27000.0 246.1813 65000.0 256.0918 15000.0 345.1407 43000.0 345.251 74000.0 END IONS BEGIN IONS SCANS=1160 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1161 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1162 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1163 PEPMASS=282.1181 CHARGE=1 COLLISION_ENERGY=0.0 69.0334 12000.0 73.0285 11000.0 74.06 68000.0 99.0439 78000.0 102.0548 38000.0 117.0545 150000.0 120.0654 180000.0 130.0497 20000.0 132.0654 19000.0 154.0858 14000.0 161.0377 31000.0 162.0216 11000.0 169.0945 14000.0 182.0812 11000.0 200.0918 23000.0 218.1022 33000.0 236.1128 62000.0 264.1077 23000.0 282.1177 120000.0 282.1789 41000.0 END IONS BEGIN IONS SCANS=1164 PEPMASS=219.0973 CHARGE=1 COLLISION_ENERGY=0.0 84.0443 280000.0 90.0549 380000.0 98.0712 11000.0 102.0547 13000.0 128.0704 19000.0 130.0497 190000.0 142.0488 14000.0 156.0654 210000.0 160.0606 14000.0 173.0921 11000.0 174.0761 19000.0 202.0708 130000.0 219.0974 68000.0 219.1745 14000.0 END IONS BEGIN IONS SCANS=1165 PEPMASS=248.1239 CHARGE=1 COLLISION_ENERGY=0.0 56.0494 50000.0 58.0651 18000.0 74.06 560000.0 84.0443 120000.0 101.0707 24000.0 102.0548 42000.0 119.0812 49000.0 130.0497 310000.0 140.0704 14000.0 147.0763 300000.0 148.0603 250000.0 148.0817 10000.0 170.0445 130000.0 185.0925 15000.0 203.1019 23000.0 213.0864 25000.0 230.1145 23000.0 231.097 54000.0 248.124 44000.0 249.107 40000.0 END IONS BEGIN IONS SCANS=1166 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1167 PEPMASS=262.9067 CHARGE=1 COLLISION_ENERGY=0.0 142.948 84000.0 164.93 360000.0 244.896 22000.0 END IONS BEGIN IONS SCANS=1168 PEPMASS=284.0796 CHARGE=1 COLLISION_ENERGY=0.0 69.0336 11000.0 85.0283 59000.0 97.0284 13000.0 100.0215 73000.0 103.0388 12000.0 118.0319 10000.0 122.0269 97000.0 127.0391 19000.0 145.0492 14000.0 146.0269 110000.0 158.0268 21000.0 164.0377 26000.0 188.0377 22000.0 248.059 21000.0 284.0814 19000.0 END IONS BEGIN IONS SCANS=1169 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1170 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1171 PEPMASS=134.0447 CHARGE=1 COLLISION_ENERGY=0.0 43.0177 110000.0 46.0287 440000.0 50.3337 11000.0 70.0285 88000.0 74.0236 3200000.0 75.021 12000.0 75.0269 42000.0 84.8525 12000.0 86.0962 180000.0 87.0996 33000.0 88.0392 3100000.0 89.0425 73000.0 116.034 830000.0 117.0372 32000.0 123.0244 11000.0 133.1053 23000.0 134.0446 880000.0 135.0477 24000.0 END IONS BEGIN IONS SCANS=1172 PEPMASS=142.9479 CHARGE=1 COLLISION_ENERGY=0.0 124.9373 39000.0 142.9479 59000.0 144.0113 22000.0 END IONS BEGIN IONS SCANS=1173 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1174 PEPMASS=249.1079 CHARGE=1 COLLISION_ENERGY=0.0 56.0494 61000.0 58.0651 26000.0 74.06 640000.0 75.0634 14000.0 84.0443 110000.0 101.0711 15000.0 102.055 64000.0 119.0816 22000.0 130.0497 220000.0 131.0531 16000.0 140.071 21000.0 147.0763 140000.0 148.0602 370000.0 170.0443 95000.0 203.1033 26000.0 204.0868 12000.0 213.0867 12000.0 231.097 49000.0 248.1243 15000.0 249.1067 62000.0 END IONS BEGIN IONS SCANS=1175 PEPMASS=274.1872 CHARGE=1 COLLISION_ENERGY=0.0 60.0516 15000.0 60.0527 10000.0 60.0555 450000.0 70.0651 1500000.0 71.0489 14000.0 71.0683 33000.0 72.0808 99000.0 87.0915 16000.0 88.0755 27000.0 97.0761 15000.0 98.0598 51000.0 100.0755 11000.0 112.0868 290000.0 114.1022 11000.0 115.0864 69000.0 116.0703 64000.0 130.0975 23000.0 140.0816 64000.0 142.0975 37000.0 152.1071 22000.0 157.1082 120000.0 158.0922 99000.0 168.15 23000.0 169.1324 48000.0 170.1167 11000.0 175.1188 1200000.0 176.1223 42000.0 194.1293 44000.0 196.1443 12000.0 198.1125 67000.0 211.155 110000.0 214.1549 170000.0 215.1389 360000.0 216.1417 19000.0 228.1814 21000.0 239.1492 15000.0 240.1337 57000.0 256.176 21000.0 257.1607 650000.0 258.1637 57000.0 274.187 2400000.0 275.1898 190000.0 END IONS BEGIN IONS SCANS=1176 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1177 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1178 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1179 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1180 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1181 PEPMASS=338.1819 CHARGE=1 COLLISION_ENERGY=0.0 60.0555 100000.0 70.065 380000.0 98.0599 13000.0 112.0867 110000.0 115.0864 26000.0 116.0705 29000.0 130.0972 18000.0 136.0756 84000.0 140.0818 45000.0 156.0652 27000.0 157.1082 35000.0 158.0924 50000.0 175.1188 320000.0 176.1217 11000.0 206.0924 19000.0 258.124 12000.0 275.149 17000.0 278.1498 47000.0 279.1326 57000.0 304.1288 14000.0 321.1554 180000.0 322.1586 23000.0 338.182 540000.0 339.1844 77000.0 END IONS BEGIN IONS SCANS=1182 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1183 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1184 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1185 PEPMASS=175.1439 CHARGE=1 COLLISION_ENERGY=0.0 46.0651 23000.0 84.0807 320000.0 130.0861 290000.0 130.1223 67000.0 158.1178 13000.0 175.1439 230000.0 176.1472 11000.0 END IONS BEGIN IONS SCANS=1186 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1187 PEPMASS=156.0767 CHARGE=1 COLLISION_ENERGY=0.0 43.7787 25000.0 60.6387 26000.0 82.0524 48000.0 83.0604 320000.0 93.0443 130000.0 95.0603 790000.0 96.0638 41000.0 107.6638 24000.0 110.0713 15000000.0 111.0547 51000.0 111.0663 37000.0 111.0753 420000.0 112.0867 40000.0 137.4882 22000.0 139.0503 33000.0 140.2065 22000.0 156.0767 5000000.0 157.0805 240000.0 END IONS BEGIN IONS SCANS=1188 PEPMASS=178.0585 CHARGE=1 COLLISION_ENERGY=0.0 178.0585 66000.0 END IONS BEGIN IONS SCANS=1189 PEPMASS=110.0711 CHARGE=1 COLLISION_ENERGY=0.0 56.0496 11000.0 81.0446 23000.0 82.0526 36000.0 83.0603 370000.0 93.0446 250000.0 110.0713 2600000.0 111.0552 530000.0 111.0752 70000.0 111.0911 26000.0 END IONS BEGIN IONS SCANS=1190 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1191 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1192 PEPMASS=157.0799 CHARGE=1 COLLISION_ENERGY=0.0 82.0527 59000.0 83.0604 160000.0 85.6926 12000.0 87.3963 11000.0 93.0446 100000.0 95.0603 440000.0 96.0639 36000.0 110.0713 7700000.0 111.0547 31000.0 111.075 790000.0 138.066 17000.0 139.0511 15000.0 156.0767 2200000.0 157.0804 290000.0 END IONS BEGIN IONS SCANS=1193 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1194 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1195 PEPMASS=246.181 CHARGE=1 COLLISION_ENERGY=0.0 72.0806 18000.0 84.0807 1200000.0 85.0838 36000.0 101.1073 65000.0 102.0914 10000.0 129.1021 190000.0 130.0865 39000.0 147.1127 140000.0 183.1494 18000.0 212.1286 11000.0 229.1544 170000.0 230.1583 12000.0 246.181 230000.0 247.1845 20000.0 END IONS BEGIN IONS SCANS=1196 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1197 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1198 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1199 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1200 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1201 PEPMASS=299.0363 CHARGE=1 COLLISION_ENERGY=0.0 74.0058 35000.0 120.0112 55000.0 122.0267 14000.0 128.0342 10000.0 132.0113 12000.0 134.0268 21000.0 146.0448 14000.0 153.9989 22000.0 162.0215 14000.0 177.9995 24000.0 178.0166 420000.0 179.0193 14000.0 180.0322 100000.0 253.0316 25000.0 299.0371 21000.0 END IONS BEGIN IONS SCANS=1202 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1203 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1204 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1205 PEPMASS=310.1758 CHARGE=1 COLLISION_ENERGY=0.0 84.0807 600000.0 85.0841 15000.0 101.1072 36000.0 129.1021 110000.0 130.0861 24000.0 136.0757 20000.0 147.1127 54000.0 293.1495 45000.0 310.1767 63000.0 END IONS BEGIN IONS SCANS=1206 PEPMASS=190.1628 CHARGE=1 COLLISION_ENERGY=0.0 60.0807 450000.0 61.084 22000.0 84.0807 1200000.0 85.0839 100000.0 86.0964 11000.0 130.0862 1100000.0 131.0897 120000.0 144.1381 58000.0 189.1596 660000.0 190.1629 120000.0 END IONS BEGIN IONS SCANS=1207 PEPMASS=189.1596 CHARGE=1 COLLISION_ENERGY=0.0 60.0807 840000.0 61.0842 16000.0 84.0807 2000000.0 85.0645 18000.0 85.084 58000.0 86.0962 20000.0 102.0913 14000.0 130.0862 2100000.0 131.0899 63000.0 144.1382 110000.0 145.1411 10000.0 189.1596 1400000.0 190.1629 90000.0 END IONS BEGIN IONS SCANS=1208 PEPMASS=275.1908 CHARGE=1 COLLISION_ENERGY=0.0 55.0542 15000.0 60.0556 110000.0 70.0651 140000.0 71.0682 12000.0 72.0807 470000.0 73.084 38000.0 112.0868 49000.0 113.0709 11000.0 114.1024 27000.0 115.0865 63000.0 116.0705 130000.0 117.0743 13000.0 130.0974 43000.0 133.0971 18000.0 142.0974 180000.0 143.1014 24000.0 157.108 26000.0 158.0923 200000.0 159.0961 27000.0 175.1189 990000.0 176.1222 130000.0 185.1033 25000.0 197.1285 10000.0 214.1548 18000.0 215.1386 45000.0 239.1503 56000.0 240.1581 12000.0 256.1763 14000.0 257.1604 130000.0 258.1626 41000.0 274.1872 990000.0 275.1898 320000.0 276.192 20000.0 END IONS BEGIN IONS SCANS=1209 PEPMASS=274.1872 CHARGE=1 COLLISION_ENERGY=0.0 55.0541 29000.0 60.0555 200000.0 70.0651 240000.0 72.0807 880000.0 73.084 17000.0 97.0756 10000.0 112.0866 83000.0 113.0709 27000.0 114.1023 45000.0 115.0864 140000.0 116.0705 220000.0 117.102 14000.0 130.0973 68000.0 133.0972 32000.0 140.0819 11000.0 142.0831 21000.0 142.0973 390000.0 143.1007 11000.0 157.1083 60000.0 158.0922 400000.0 169.1339 17000.0 175.1188 1900000.0 176.122 60000.0 185.1033 56000.0 194.1283 17000.0 197.1294 21000.0 211.1552 11000.0 212.1402 18000.0 214.1546 51000.0 215.1383 85000.0 215.1607 12000.0 228.1823 10000.0 239.1501 140000.0 240.1341 25000.0 256.1762 51000.0 257.1603 360000.0 258.1627 23000.0 274.1871 2700000.0 275.1898 210000.0 END IONS BEGIN IONS SCANS=1210 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1211 PEPMASS=364.0649 CHARGE=1 COLLISION_ENERGY=0.0 152.0566 520000.0 153.059 19000.0 END IONS BEGIN IONS SCANS=1212 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1213 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1214 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1215 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1216 PEPMASS=227.1137 CHARGE=1 COLLISION_ENERGY=0.0 83.0602 19000.0 93.0447 21000.0 110.0712 2600000.0 111.075 83000.0 121.0394 13000.0 136.0868 33000.0 138.066 75000.0 156.0765 100000.0 164.0815 15000.0 166.0621 10000.0 181.1083 110000.0 209.1031 230000.0 209.1282 11000.0 227.1136 410000.0 228.1162 26000.0 END IONS BEGIN IONS SCANS=1217 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1218 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1219 PEPMASS=195.0254 CHARGE=1 COLLISION_ENERGY=0.0 59.0603 140000.0 73.0283 120000.0 76.0215 17000.0 84.0681 50000.0 85.076 170000.0 88.0392 20000.0 107.9935 51000.0 111.0551 13000.0 112.0392 48000.0 113.0471 26000.0 120.0117 15000.0 129.0657 130000.0 130.0736 58000.0 136.9724 190000.0 153.999 53000.0 177.9995 12000.0 195.0256 430000.0 195.1124 14000.0 196.0283 14000.0 END IONS BEGIN IONS SCANS=1220 PEPMASS=323.0839 CHARGE=1 COLLISION_ENERGY=0.0 59.0603 52000.0 73.0283 33000.0 76.0215 12000.0 83.0601 12000.0 85.0759 180000.0 88.0391 35000.0 107.9934 22000.0 111.0552 13000.0 112.0392 100000.0 112.0498 11000.0 115.0323 20000.0 117.0477 23000.0 120.0112 41000.0 122.0272 16000.0 129.0657 470000.0 130.0736 26000.0 136.9724 100000.0 146.0269 12000.0 153.9988 64000.0 161.0378 540000.0 162.0407 19000.0 163.0534 360000.0 164.0559 11000.0 177.9987 14000.0 195.0255 2000000.0 196.0278 76000.0 END IONS BEGIN IONS SCANS=1221 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1222 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1223 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1224 PEPMASS=237.0538 CHARGE=1 COLLISION_ENERGY=0.0 76.0214 11000.0 86.9898 11000.0 98.0236 13000.0 99.0076 28000.0 102.0008 19000.0 105.0003 30000.0 116.034 46000.0 122.0268 44000.0 128.0165 12000.0 132.0111 41000.0 138.0009 15000.0 148.0061 180000.0 156.0112 58000.0 174.0218 150000.0 184.0062 120000.0 191.0489 18000.0 202.0166 350000.0 202.9995 19000.0 203.021 13000.0 220.0275 86000.0 237.0539 35000.0 END IONS BEGIN IONS SCANS=1225 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1226 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1227 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1228 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1229 PEPMASS=259.1287 CHARGE=1 COLLISION_ENERGY=0.0 84.0807 520000.0 85.0838 16000.0 104.1069 18000.0 168.1022 10000.0 169.9876 15000.0 195.1127 110000.0 213.1232 420000.0 214.1267 26000.0 242.0092 44000.0 259.0359 48000.0 259.1286 120000.0 END IONS BEGIN IONS SCANS=1230 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1231 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1232 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1233 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1234 PEPMASS=235.0923 CHARGE=1 COLLISION_ENERGY=0.0 60.0443 110000.0 84.0444 14000.0 102.0551 15000.0 130.0497 56000.0 147.0762 22000.0 148.0603 100000.0 170.0445 11000.0 189.0866 11000.0 217.0818 19000.0 235.0922 15000.0 END IONS BEGIN IONS SCANS=1235 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1236 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1237 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1238 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1239 PEPMASS=472.2875 CHARGE=1 COLLISION_ENERGY=0.0 60.0557 13000.0 70.0651 110000.0 112.0868 54000.0 115.0864 12000.0 140.0817 21000.0 157.1082 56000.0 169.1332 24000.0 211.1552 130000.0 217.1181 74000.0 228.1818 58000.0 239.1505 21000.0 256.1768 33000.0 371.2408 25000.0 410.2878 25000.0 455.2613 13000.0 472.2878 290000.0 473.2903 45000.0 END IONS BEGIN IONS SCANS=1240 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1241 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1242 PEPMASS=175.1188 CHARGE=1 COLLISION_ENERGY=0.0 42.6908 62000.0 51.0446 58000.0 52.3648 53000.0 52.6486 63000.0 60.0556 8100000.0 60.6224 69000.0 70.0651 9900000.0 71.049 100000.0 71.0685 240000.0 72.0807 670000.0 83.2882 57000.0 97.0758 140000.0 98.0601 100000.0 112.0867 940000.0 113.0706 140000.0 114.1025 290000.0 115.0865 260000.0 116.0705 9600000.0 117.0736 240000.0 130.0974 4000000.0 131.1008 91000.0 133.097 78000.0 140.0823 110000.0 141.066 90000.0 157.1085 590000.0 158.0923 3100000.0 159.0954 170000.0 175.1188 17000000.0 176.122 690000.0 184.3992 59000.0 192.2634 69000.0 END IONS BEGIN IONS SCANS=1243 PEPMASS=349.2302 CHARGE=1 COLLISION_ENERGY=0.0 60.0558 12000.0 70.0653 16000.0 116.0704 13000.0 175.0998 12000.0 175.1189 220000.0 175.1373 15000.0 176.1227 11000.0 END IONS BEGIN IONS SCANS=1244 PEPMASS=371.2122 CHARGE=1 COLLISION_ENERGY=0.0 137.0684 45000.0 138.0524 83000.0 162.0639 16000.0 175.1185 21000.0 179.0902 330000.0 180.0742 68000.0 180.093 11000.0 197.1008 630000.0 198.104 28000.0 END IONS BEGIN IONS SCANS=1245 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1246 PEPMASS=176.1221 CHARGE=1 COLLISION_ENERGY=0.0 48.1343 32000.0 51.4695 36000.0 59.4539 38000.0 60.0556 5200000.0 61.0525 63000.0 61.0589 74000.0 70.0651 6600000.0 71.0683 390000.0 72.0807 500000.0 88.0752 35000.0 97.0757 76000.0 97.6052 35000.0 98.0596 39000.0 112.0867 680000.0 113.0709 57000.0 114.1025 180000.0 115.0865 190000.0 116.0705 5700000.0 117.0741 500000.0 130.0974 2100000.0 131.1011 160000.0 133.097 64000.0 140.0819 57000.0 141.0663 43000.0 157.1086 290000.0 158.0922 1900000.0 159.0959 230000.0 175.1188 9400000.0 176.1223 1300000.0 177.1238 62000.0 END IONS BEGIN IONS SCANS=1247 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1248 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1249 PEPMASS=197.1007 CHARGE=1 COLLISION_ENERGY=0.0 137.0683 55000.0 138.0524 77000.0 162.0633 25000.0 179.0902 140000.0 180.0743 44000.0 197.1008 51000.0 END IONS BEGIN IONS SCANS=1250 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1251 PEPMASS=130.0973 CHARGE=1 COLLISION_ENERGY=0.0 43.0542 20000.0 60.0556 330000.0 70.0651 710000.0 71.0491 470000.0 71.0684 27000.0 72.0525 13000.0 84.0807 14000.0 88.0756 94000.0 112.0867 130000.0 130.0974 1600000.0 130.1587 35000.0 131.1012 62000.0 END IONS BEGIN IONS SCANS=1252 PEPMASS=246.181 CHARGE=1 COLLISION_ENERGY=0.0 55.0542 24000.0 72.0807 440000.0 73.0839 13000.0 84.0807 250000.0 101.1073 29000.0 129.1021 360000.0 130.0861 470000.0 130.1059 16000.0 131.0898 24000.0 147.1126 710000.0 148.1167 23000.0 228.1702 30000.0 229.1548 13000.0 246.181 190000.0 247.1846 14000.0 END IONS BEGIN IONS SCANS=1253 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1254 PEPMASS=364.0649 CHARGE=1 COLLISION_ENERGY=0.0 152.0566 140000.0 END IONS BEGIN IONS SCANS=1255 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1256 PEPMASS=272.1714 CHARGE=1 COLLISION_ENERGY=0.0 60.0556 12000.0 70.0651 89000.0 112.0866 15000.0 115.0866 11000.0 116.0701 14000.0 140.0817 18000.0 158.0924 22000.0 175.1189 160000.0 255.1448 24000.0 272.1716 170000.0 273.1767 12000.0 END IONS BEGIN IONS SCANS=1257 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1258 PEPMASS=257.1242 CHARGE=1 COLLISION_ENERGY=0.0 83.0603 18000.0 110.0711 1300000.0 111.075 37000.0 130.0498 13000.0 138.0661 31000.0 156.0765 99000.0 166.0973 29000.0 195.0869 20000.0 211.1183 11000.0 239.1136 180000.0 240.1158 12000.0 257.124 120000.0 END IONS BEGIN IONS SCANS=1259 PEPMASS=285.2031 CHARGE=1 COLLISION_ENERGY=0.0 70.065 12000.0 84.0807 40000.0 112.0865 23000.0 129.1019 18000.0 139.0864 14000.0 157.1083 27000.0 164.9301 25000.0 181.1336 36000.0 185.1032 10000.0 191.1181 14000.0 208.1443 20000.0 209.1283 170000.0 226.1551 19000.0 251.1499 31000.0 268.1765 77000.0 285.2032 350000.0 286.2073 30000.0 END IONS BEGIN IONS SCANS=1260 PEPMASS=156.0766 CHARGE=1 COLLISION_ENERGY=0.0 95.0602 18000.0 110.0712 340000.0 111.0751 11000.0 156.0766 100000.0 157.1083 13000.0 END IONS BEGIN IONS SCANS=1261 PEPMASS=442.7471 CHARGE=2 COLLISION_ENERGY=0.0 120.0807 12000.0 183.1489 59000.0 183.6509 10000.0 197.1461 24000.0 256.6834 60000.0 257.1849 19000.0 279.193 12000.0 279.6865 25000.0 292.2017 180000.0 292.7032 55000.0 328.1941 260000.0 328.6957 100000.0 385.7257 27000.0 386.2267 11000.0 398.2413 17000.0 434.2343 55000.0 434.7364 26000.0 442.7472 190000.0 443.2477 88000.0 443.7486 20000.0 END IONS BEGIN IONS SCANS=1262 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1263 PEPMASS=347.2287 CHARGE=1 COLLISION_ENERGY=0.0 72.0807 42000.0 74.0599 24000.0 84.0807 75000.0 101.0708 46000.0 128.1069 27000.0 129.102 110000.0 130.0861 160000.0 136.0619 10000.0 147.1126 300000.0 148.1163 15000.0 155.1174 10000.0 173.1283 430000.0 174.1316 28000.0 201.123 57000.0 246.1806 35000.0 347.1675 16000.0 347.2281 160000.0 348.2322 23000.0 END IONS BEGIN IONS SCANS=1264 PEPMASS=303.2025 CHARGE=1 COLLISION_ENERGY=0.0 72.0807 85000.0 84.0807 220000.0 101.1073 28000.0 129.1021 180000.0 130.0862 76000.0 141.1024 12000.0 147.1126 110000.0 157.097 16000.0 169.0971 10000.0 186.1235 52000.0 187.1078 22000.0 204.1341 250000.0 205.138 14000.0 303.2024 170000.0 304.2063 15000.0 END IONS BEGIN IONS SCANS=1265 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1266 PEPMASS=213.0981 CHARGE=1 COLLISION_ENERGY=0.0 83.0603 14000.0 93.0445 10000.0 110.0712 1400000.0 111.0749 41000.0 138.0661 45000.0 156.0762 11000.0 167.0927 19000.0 195.0876 67000.0 213.098 240000.0 214.1014 14000.0 END IONS BEGIN IONS SCANS=1267 PEPMASS=589.14 CHARGE=1 COLLISION_ENERGY=0.0 97.0283 160000.0 112.0505 210000.0 152.0567 16000.0 END IONS BEGIN IONS SCANS=1268 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1269 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1270 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1271 PEPMASS=156.0766 CHARGE=1 COLLISION_ENERGY=0.0 95.0602 15000.0 110.0712 310000.0 156.0767 99000.0 157.1085 11000.0 END IONS BEGIN IONS SCANS=1272 PEPMASS=175.1188 CHARGE=1 COLLISION_ENERGY=0.0 60.0556 620000.0 70.0651 800000.0 71.0685 35000.0 72.0808 64000.0 97.0759 17000.0 98.0596 17000.0 112.0868 100000.0 114.1024 33000.0 115.0865 67000.0 116.0705 660000.0 117.0738 24000.0 130.0974 260000.0 140.0819 10000.0 157.1083 99000.0 158.0923 230000.0 158.1082 10000.0 174.1351 90000.0 175.1189 1200000.0 176.1224 45000.0 END IONS BEGIN IONS SCANS=1273 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1274 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1275 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1276 PEPMASS=148.116 CHARGE=1 COLLISION_ENERGY=0.0 42.034 13000.0 43.5473 11000.0 56.0499 41000.0 65.1282 11000.0 67.0541 50000.0 74.0236 34000.0 84.0807 18000000.0 85.0646 99000.0 85.078 110000.0 85.0839 1700000.0 86.0873 23000.0 95.0491 12000.0 101.1072 130000.0 102.0912 140000.0 111.0921 21000.0 112.0756 100000.0 113.079 18000.0 129.1021 470000.0 130.0863 12000000.0 131.0897 1500000.0 132.091 89000.0 147.1127 2800000.0 148.0236 11000.0 148.1164 370000.0 149.0235 29000.0 149.1178 26000.0 156.6286 13000.0 END IONS BEGIN IONS SCANS=1277 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1278 PEPMASS=191.0765 CHARGE=1 COLLISION_ENERGY=0.0 191.0765 370000.0 192.08 15000.0 END IONS BEGIN IONS SCANS=1279 PEPMASS=130.0862 CHARGE=1 COLLISION_ENERGY=0.0 41.493 49000.0 44.6652 43000.0 56.4365 53000.0 59.7074 46000.0 61.9992 42000.0 69.1606 41000.0 84.0807 17000000.0 85.0648 56000.0 85.0779 75000.0 85.0841 530000.0 99.2192 41000.0 112.0757 120000.0 120.5893 40000.0 129.1022 490000.0 130.0862 19000000.0 131.0897 850000.0 END IONS BEGIN IONS SCANS=1280 PEPMASS=84.0806 CHARGE=1 COLLISION_ENERGY=0.0 42.0338 11000.0 55.0542 14000.0 56.0494 160000.0 67.0542 31000.0 83.0604 10000.0 84.0808 5000000.0 85.084 73000.0 END IONS BEGIN IONS SCANS=1281 PEPMASS=147.1127 CHARGE=1 COLLISION_ENERGY=0.0 41.2131 70000.0 46.6814 76000.0 48.5886 69000.0 54.5945 72000.0 84.0807 33000000.0 85.0645 210000.0 85.0778 150000.0 85.0839 1100000.0 98.5336 69000.0 101.1071 270000.0 102.0914 240000.0 112.0756 150000.0 112.4799 68000.0 129.102 1100000.0 130.0861 26000000.0 131.0898 1300000.0 147.1126 6300000.0 148.1166 360000.0 168.7053 72000.0 END IONS BEGIN IONS SCANS=1282 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1283 PEPMASS=169.0945 CHARGE=1 COLLISION_ENERGY=0.0 169.0947 44000.0 170.0966 14000.0 END IONS BEGIN IONS SCANS=1284 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1285 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1286 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1287 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1288 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1289 PEPMASS=244.1653 CHARGE=1 COLLISION_ENERGY=0.0 70.0651 330000.0 84.0808 140000.0 101.1074 28000.0 129.1022 75000.0 130.0863 68000.0 147.1128 130000.0 209.1294 12000.0 226.1549 29000.0 244.1656 120000.0 END IONS BEGIN IONS SCANS=1290 PEPMASS=257.197 CHARGE=1 COLLISION_ENERGY=0.0 84.0807 120000.0 101.1071 12000.0 112.0756 11000.0 129.102 67000.0 139.0864 82000.0 195.1488 26000.0 223.1439 200000.0 224.1468 15000.0 240.1703 52000.0 257.197 120000.0 END IONS BEGIN IONS SCANS=1291 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1292 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1293 PEPMASS=133.0971 CHARGE=1 COLLISION_ENERGY=0.0 58.0651 90000.0 70.0651 2100000.0 71.0683 67000.0 86.0963 380000.0 87.0921 12000.0 87.0993 18000.0 88.0392 12000.0 115.0864 410000.0 116.0705 2700000.0 117.0742 110000.0 133.0967 410000.0 134.1003 19000.0 END IONS BEGIN IONS SCANS=1294 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1295 PEPMASS=116.0705 CHARGE=1 COLLISION_ENERGY=0.0 70.0651 3700000.0 71.0618 10000.0 71.0684 120000.0 97.0758 41000.0 115.0865 380000.0 116.0705 3000000.0 117.0742 96000.0 END IONS BEGIN IONS SCANS=1296 PEPMASS=489.2762 CHARGE=2 COLLISION_ENERGY=0.0 120.0808 11000.0 129.1022 26000.0 147.1123 22000.0 159.0916 23000.0 208.0018 15000.0 226.155 11000.0 244.1653 34000.0 298.1553 12000.0 480.2721 15000.0 489.2763 78000.0 489.7784 45000.0 490.2805 18000.0 605.3415 11000.0 633.3402 25000.0 634.3426 11000.0 706.3915 21000.0 707.3986 10000.0 734.384 26000.0 735.3951 13000.0 END IONS BEGIN IONS SCANS=1297 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1298 PEPMASS=175.1188 CHARGE=1 COLLISION_ENERGY=0.0 60.0556 170000.0 70.0651 220000.0 72.0807 14000.0 112.087 22000.0 116.0705 180000.0 130.0974 75000.0 157.1082 10000.0 158.0923 62000.0 175.1189 290000.0 176.123 12000.0 END IONS BEGIN IONS SCANS=1299 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1300 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1301 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1302 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1303 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1304 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1305 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1306 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1307 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1308 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1309 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1310 PEPMASS=304.0393 CHARGE=1 COLLISION_ENERGY=0.0 85.0759 32000.0 107.0577 13000.0 110.0213 11000.0 112.0395 13000.0 129.0659 39000.0 133.0373 27000.0 134.0211 62000.0 151.0477 880000.0 152.0509 17000.0 161.0381 13000.0 175.981 110000.0 183.0193 18000.0 END IONS BEGIN IONS SCANS=1311 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1312 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1313 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1314 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1315 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1316 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1317 PEPMASS=283.0614 CHARGE=1 COLLISION_ENERGY=0.0 58.615 20000.0 59.0603 270000.0 73.0284 91000.0 74.0058 210000.0 74.0236 170000.0 81.3433 22000.0 83.0603 110000.0 84.0443 94000.0 84.068 69000.0 85.0702 36000.0 85.076 450000.0 88.0212 29000.0 88.0393 390000.0 89.0167 320000.0 89.0425 35000.0 91.0121 21000.0 92.016 27000.0 100.022 24000.0 102.9845 43000.0 107.9932 49000.0 111.0551 290000.0 112.0392 1200000.0 113.0423 98000.0 115.0323 1100000.0 116.0163 42000.0 116.0362 46000.0 117.0284 32000.0 117.048 150000.0 119.0271 300000.0 120.0113 2400000.0 121.015 130000.0 122.007 62000.0 122.0269 580000.0 129.0658 3600000.0 130.0696 340000.0 131.9934 230000.0 133.0425 42000.0 136.9725 190000.0 143.0276 28000.0 144.0111 170000.0 145.0189 86000.0 146.0269 74000.0 151.9832 370000.0 153.9989 640000.0 155.0015 28000.0 155.9949 45000.0 161.038 24000000.0 162.0412 2500000.0 163.0329 770000.0 177.9991 1200000.0 179.0019 170000.0 179.9951 86000.0 193.011 34000.0 195.0256 610000.0 196.0284 86000.0 197.0228 47000.0 223.0201 97000.0 237.0362 64000.0 241.0314 38000.0 265.0304 72000.0 282.0576 860000.0 283.0602 230000.0 284.0532 110000.0 END IONS BEGIN IONS SCANS=1318 PEPMASS=563.1075 CHARGE=1 COLLISION_ENERGY=0.0 82.3629 18000.0 129.0658 100000.0 140.4306 18000.0 153.9986 21000.0 161.0378 470000.0 161.0541 28000.0 178.0 35000.0 282.0571 210000.0 426.709 19000.0 546.3255 22000.0 END IONS BEGIN IONS SCANS=1319 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1320 PEPMASS=282.0575 CHARGE=1 COLLISION_ENERGY=0.0 59.0604 720000.0 65.303 160000.0 73.0284 220000.0 73.8547 160000.0 74.006 530000.0 74.0236 610000.0 83.0602 490000.0 84.0443 340000.0 85.0204 150000.0 85.076 1600000.0 88.0395 1200000.0 89.0167 590000.0 90.4516 160000.0 94.2612 140000.0 96.121 150000.0 111.0552 1200000.0 112.0393 5000000.0 112.6395 180000.0 115.0324 3600000.0 115.0415 150000.0 117.0479 400000.0 119.0274 1100000.0 120.0113 7600000.0 122.0272 1900000.0 122.4588 170000.0 129.0658 15000000.0 130.0695 440000.0 131.9936 710000.0 136.9724 560000.0 144.0113 770000.0 145.0191 370000.0 146.0275 250000.0 151.9835 1400000.0 153.999 2800000.0 161.038 96000000.0 162.041 2100000.0 177.999 5000000.0 195.0253 2700000.0 223.0198 610000.0 237.0354 290000.0 241.0321 230000.0 265.03 260000.0 282.0577 4600000.0 283.0629 170000.0 END IONS BEGIN IONS SCANS=1321 PEPMASS=284.0532 CHARGE=1 COLLISION_ENERGY=0.0 59.0603 120000.0 73.0284 41000.0 74.006 41000.0 74.0235 110000.0 83.0602 50000.0 84.0442 48000.0 84.0681 50000.0 85.0761 210000.0 86.0789 35000.0 88.0393 190000.0 89.0167 90000.0 89.0428 43000.0 111.0551 170000.0 112.0392 610000.0 112.0586 33000.0 113.0428 130000.0 115.0322 280000.0 116.0355 89000.0 117.0282 160000.0 118.0321 30000.0 119.0272 120000.0 120.0113 700000.0 121.0149 150000.0 122.007 390000.0 122.017 42000.0 122.0262 170000.0 123.0302 31000.0 124.0227 110000.0 129.0657 1800000.0 130.0697 450000.0 131.0701 78000.0 131.9934 48000.0 132.996 37000.0 133.9893 76000.0 138.9682 54000.0 144.0111 52000.0 145.0177 41000.0 151.9837 44000.0 152.9859 46000.0 153.9792 110000.0 153.999 100000.0 155.0013 68000.0 155.9946 200000.0 161.0379 7100000.0 162.0412 3100000.0 163.0329 4200000.0 164.0368 140000.0 177.999 120000.0 179.0015 160000.0 179.9943 440000.0 180.9987 34000.0 189.2186 26000.0 195.0253 69000.0 196.0269 110000.0 197.0211 250000.0 225.0173 48000.0 239.0322 27000.0 267.0282 36000.0 283.0596 250000.0 284.0541 480000.0 END IONS BEGIN IONS SCANS=1322 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1323 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1324 PEPMASS=163.0533 CHARGE=1 COLLISION_ENERGY=0.0 42.0338 52000.0 58.9949 49000.0 59.0603 330000.0 76.0018 16000.0 76.0215 150000.0 83.0603 15000.0 86.9899 140000.0 91.0126 18000.0 99.0552 14000.0 100.0214 150000.0 105.0004 190000.0 115.0323 16000.0 116.0357 28000.0 117.0284 79000.0 117.048 150000.0 120.0114 19000.0 121.0143 25000.0 121.024 13000.0 122.0074 58000.0 122.0167 15000.0 122.0269 140000.0 122.0376 11000.0 129.0659 33000.0 145.0428 13000.0 146.0269 86000.0 162.041 120000.0 163.0343 190000.0 163.0538 940000.0 164.0567 42000.0 END IONS BEGIN IONS SCANS=1325 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1326 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1327 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1328 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1329 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1330 PEPMASS=237.036 CHARGE=1 COLLISION_ENERGY=0.0 59.0603 61000.0 74.0059 48000.0 78.967 110000.0 78.9723 10000.0 84.0681 140000.0 85.076 230000.0 88.0391 17000.0 105.9778 14000.0 106.962 120000.0 111.0549 15000.0 112.0393 53000.0 112.0633 11000.0 113.0472 49000.0 115.0323 28000.0 120.0115 52000.0 122.0272 14000.0 129.0658 690000.0 130.0737 150000.0 132.9776 10000.0 133.0432 15000.0 150.0039 42000.0 151.9835 40000.0 161.0379 140000.0 163.0537 66000.0 177.9994 29000.0 178.9828 82000.0 191.0309 22000.0 192.0144 34000.0 193.0105 15000.0 194.0177 450000.0 195.0187 12000.0 196.0102 29000.0 237.0362 660000.0 238.0393 39000.0 END IONS BEGIN IONS SCANS=1331 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1332 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1333 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1334 PEPMASS=175.1187 CHARGE=1 COLLISION_ENERGY=0.0 60.0556 120000.0 70.0651 160000.0 112.0866 13000.0 116.0706 140000.0 130.0974 50000.0 158.0924 44000.0 175.1189 230000.0 END IONS BEGIN IONS SCANS=1335 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1336 PEPMASS=241.0308 CHARGE=1 COLLISION_ENERGY=0.0 74.0236 35000.0 120.0113 79000.0 122.0269 45000.0 151.9833 92000.0 240.1315 12000.0 241.0311 13000.0 END IONS BEGIN IONS SCANS=1337 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1338 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1339 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1340 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1341 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1342 PEPMASS=246.1559 CHARGE=1 COLLISION_ENERGY=0.0 60.0556 710000.0 66.4095 15000.0 70.0651 2300000.0 71.049 21000.0 71.0685 58000.0 72.0808 32000.0 87.1655 14000.0 88.0757 40000.0 97.0758 58000.0 98.0601 58000.0 112.0868 510000.0 113.071 37000.0 113.0904 18000.0 114.066 320000.0 114.1026 36000.0 115.0865 210000.0 116.0705 360000.0 124.0765 20000.0 130.0972 64000.0 132.0764 51000.0 133.0971 35000.0 135.389 14000.0 140.0818 96000.0 141.1019 43000.0 143.1178 17000.0 157.1085 140000.0 158.0923 510000.0 159.0764 42000.0 159.0956 22000.0 166.0972 49000.0 169.097 51000.0 170.0812 160000.0 175.1189 1600000.0 176.1217 61000.0 183.1234 78000.0 186.1237 380000.0 187.1077 710000.0 188.1108 41000.0 202.1185 30000.0 204.1349 32000.0 211.1191 120000.0 212.1028 160000.0 228.1435 32000.0 229.1295 1100000.0 230.1322 65000.0 246.156 4100000.0 247.1348 61000.0 247.1584 200000.0 269.1174 14000.0 END IONS BEGIN IONS SCANS=1343 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1344 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1345 PEPMASS=247.1593 CHARGE=1 COLLISION_ENERGY=0.0 60.0556 380000.0 61.059 10000.0 70.0651 1200000.0 71.0684 81000.0 72.0808 26000.0 87.0554 12000.0 88.0755 20000.0 90.0549 19000.0 97.0758 26000.0 98.0599 25000.0 112.0869 240000.0 113.0709 18000.0 113.0902 17000.0 114.0661 210000.0 114.1026 22000.0 115.0503 15000.0 115.0699 13000.0 115.0865 140000.0 116.0706 320000.0 116.0897 14000.0 117.0739 15000.0 124.0758 13000.0 130.0975 39000.0 132.0766 81000.0 133.0971 46000.0 140.0817 38000.0 141.1022 25000.0 157.1082 62000.0 158.0923 350000.0 159.0765 43000.0 159.0956 41000.0 166.0973 32000.0 169.0965 24000.0 170.0809 80000.0 175.1189 810000.0 176.1223 110000.0 183.1236 33000.0 184.1078 11000.0 185.1039 12000.0 186.1236 190000.0 187.1077 320000.0 187.1268 32000.0 188.1111 53000.0 202.1183 34000.0 211.119 58000.0 212.1023 63000.0 213.1061 17000.0 228.1458 23000.0 229.1294 480000.0 230.1331 100000.0 246.156 1700000.0 247.1356 60000.0 247.1637 330000.0 248.1646 22000.0 END IONS BEGIN IONS SCANS=1346 PEPMASS=243.1086 CHARGE=1 COLLISION_ENERGY=0.0 84.0805 13000.0 110.0712 800000.0 111.0753 20000.0 138.0662 22000.0 156.0767 45000.0 225.0981 95000.0 243.1087 78000.0 END IONS BEGIN IONS SCANS=1347 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1348 PEPMASS=163.0535 CHARGE=1 COLLISION_ENERGY=0.0 42.0338 61000.0 58.995 79000.0 59.0604 470000.0 76.0215 220000.0 76.0271 11000.0 83.0606 12000.0 86.9897 150000.0 99.0556 15000.0 100.0215 190000.0 105.0004 270000.0 112.0393 16000.0 117.0284 15000.0 117.048 230000.0 122.027 210000.0 129.066 49000.0 145.0426 14000.0 146.0267 130000.0 162.0408 17000.0 163.0535 1300000.0 164.0561 57000.0 END IONS BEGIN IONS SCANS=1349 PEPMASS=241.0308 CHARGE=1 COLLISION_ENERGY=0.0 74.0059 10000.0 74.0236 55000.0 120.0113 110000.0 122.0269 62000.0 151.9834 120000.0 240.1326 14000.0 241.031 23000.0 END IONS BEGIN IONS SCANS=1350 PEPMASS=158.9155 CHARGE=1 COLLISION_ENERGY=0.0 78.9588 51000.0 112.1119 16000.0 158.0963 11000.0 158.9157 10000.0 END IONS BEGIN IONS SCANS=1351 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1352 PEPMASS=284.0795 CHARGE=1 COLLISION_ENERGY=0.0 85.0284 18000.0 100.0215 27000.0 110.0712 77000.0 112.0392 13000.0 120.0112 14000.0 122.0269 36000.0 129.0656 40000.0 146.0269 37000.0 161.0379 150000.0 162.0411 66000.0 163.0329 84000.0 164.0372 11000.0 179.9943 10000.0 188.0379 11000.0 END IONS BEGIN IONS SCANS=1353 PEPMASS=285.1192 CHARGE=1 COLLISION_ENERGY=0.0 85.0283 11000.0 100.0217 14000.0 110.0712 300000.0 122.027 17000.0 129.0658 15000.0 138.066 12000.0 146.0269 20000.0 156.0769 25000.0 161.0379 42000.0 162.041 17000.0 163.0329 40000.0 164.0371 17000.0 267.1076 14000.0 285.1189 33000.0 END IONS BEGIN IONS SCANS=1354 PEPMASS=218.1498 CHARGE=1 COLLISION_ENERGY=0.0 84.0807 620000.0 85.0839 18000.0 101.1072 23000.0 129.1021 73000.0 130.0863 27000.0 147.1127 34000.0 201.1232 96000.0 218.1499 99000.0 END IONS BEGIN IONS SCANS=1355 PEPMASS=276.1667 CHARGE=1 COLLISION_ENERGY=0.0 52.7826 12000.0 55.8078 11000.0 56.0494 24000.0 60.0556 400000.0 70.0651 1200000.0 71.049 34000.0 71.0685 24000.0 72.0806 31000.0 72.9717 13000.0 74.0547 18000.0 74.06 280000.0 84.0442 34000.0 88.0756 48000.0 97.0758 27000.0 98.0599 14000.0 100.0506 120000.0 102.0545 34000.0 112.0774 26000.0 112.0868 380000.0 113.0708 37000.0 115.0864 260000.0 116.0706 300000.0 119.0818 25000.0 123.7046 14000.0 126.0668 17000.0 129.1027 11000.0 130.0499 21000.0 130.0977 67000.0 133.0977 24000.0 138.066 21000.0 140.0815 58000.0 144.0767 190000.0 144.0903 23000.0 150.1036 12000.0 155.0811 17000.0 155.1183 28000.0 157.1081 130000.0 158.0923 500000.0 158.1086 28000.0 171.1123 21000.0 172.108 66000.0 173.092 75000.0 175.1188 1500000.0 176.1222 44000.0 181.0986 13000.0 195.123 14000.0 196.1078 38000.0 197.139 34000.0 198.0873 69000.0 198.1239 12000.0 199.1078 37000.0 200.0913 15000.0 213.1343 86000.0 214.1665 99000.0 215.114 160000.0 216.1344 55000.0 217.1184 210000.0 223.1192 25000.0 224.104 28000.0 232.1404 340000.0 234.1447 15000.0 241.129 130000.0 242.1118 29000.0 258.1559 150000.0 259.1397 550000.0 260.143 38000.0 276.1665 3700000.0 277.0283 13000.0 277.1689 240000.0 END IONS BEGIN IONS SCANS=1356 PEPMASS=277.1703 CHARGE=1 COLLISION_ENERGY=0.0 56.0494 15000.0 60.0555 210000.0 70.065 610000.0 71.0489 19000.0 71.0683 51000.0 72.0807 23000.0 74.0599 150000.0 75.0633 12000.0 84.0442 16000.0 88.0755 24000.0 97.0763 13000.0 100.0504 69000.0 102.0547 23000.0 112.0867 180000.0 113.0706 15000.0 113.0908 18000.0 114.1026 14000.0 115.0864 130000.0 116.0704 160000.0 116.0897 13000.0 117.0741 17000.0 126.066 18000.0 130.0496 11000.0 130.0974 33000.0 140.0816 36000.0 144.0764 95000.0 155.1179 13000.0 157.1082 63000.0 158.0922 240000.0 159.0959 29000.0 172.1077 27000.0 173.0917 33000.0 175.1187 690000.0 176.1222 100000.0 196.1082 16000.0 197.1387 17000.0 198.0871 32000.0 199.1087 14000.0 213.1341 35000.0 214.134 10000.0 214.1663 30000.0 215.1136 55000.0 216.1371 21000.0 217.1176 82000.0 218.1208 17000.0 224.1026 12000.0 232.1402 140000.0 233.1432 27000.0 241.1291 56000.0 242.1342 10000.0 258.1557 60000.0 259.1389 230000.0 260.1429 61000.0 276.1664 1400000.0 277.1692 430000.0 278.1707 23000.0 END IONS BEGIN IONS SCANS=1357 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1358 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1359 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1360 PEPMASS=270.1195 CHARGE=1 COLLISION_ENERGY=0.0 110.0711 420000.0 111.0751 10000.0 138.066 17000.0 156.0764 37000.0 235.0818 13000.0 252.1082 15000.0 253.0916 20000.0 270.1192 34000.0 END IONS BEGIN IONS SCANS=1361 PEPMASS=477.7683 CHARGE=2 COLLISION_ENERGY=0.0 129.1022 51000.0 226.1551 34000.0 231.1487 15000.0 259.1437 10000.0 388.1858 11000.0 447.2583 16000.0 477.7676 16000.0 548.308 34000.0 549.3126 10000.0 END IONS BEGIN IONS SCANS=1362 PEPMASS=218.1499 CHARGE=1 COLLISION_ENERGY=0.0 84.0807 990000.0 85.0843 30000.0 101.1072 110000.0 129.1021 1100000.0 130.0861 810000.0 130.1059 34000.0 131.0898 27000.0 147.1126 1100000.0 148.1159 23000.0 155.1179 33000.0 157.0979 10000.0 183.1124 53000.0 200.1396 84000.0 201.1231 110000.0 218.1497 490000.0 219.1521 26000.0 END IONS BEGIN IONS SCANS=1363 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1364 PEPMASS=175.1188 CHARGE=1 COLLISION_ENERGY=0.0 60.0556 46000.0 70.0651 55000.0 116.0705 46000.0 130.0975 17000.0 158.0921 16000.0 175.1188 76000.0 END IONS BEGIN IONS SCANS=1365 PEPMASS=248.1604 CHARGE=1 COLLISION_ENERGY=0.0 84.0807 900000.0 85.0646 16000.0 85.084 31000.0 101.1072 69000.0 102.0913 24000.0 129.1021 180000.0 130.086 29000.0 147.1128 63000.0 213.1222 10000.0 230.1499 36000.0 231.1337 63000.0 248.1603 130000.0 END IONS BEGIN IONS SCANS=1366 PEPMASS=241.031 CHARGE=1 COLLISION_ENERGY=0.0 74.0059 12000.0 74.0236 50000.0 120.0112 120000.0 122.0269 59000.0 151.9832 120000.0 240.1321 15000.0 241.0309 24000.0 END IONS BEGIN IONS SCANS=1367 PEPMASS=232.1404 CHARGE=1 COLLISION_ENERGY=0.0 60.0556 170000.0 70.0651 410000.0 72.081 40000.0 73.0647 12000.0 75.0553 40000.0 84.0808 11000.0 87.0556 14000.0 88.0755 13000.0 97.0759 21000.0 100.0505 370000.0 112.0868 160000.0 113.0707 40000.0 114.1028 21000.0 115.0864 180000.0 116.0705 490000.0 117.0743 15000.0 127.0867 46000.0 128.0704 14000.0 129.1022 68000.0 130.0971 33000.0 138.0663 16000.0 140.082 23000.0 143.0817 18000.0 144.0661 11000.0 152.082 35000.0 154.0975 13000.0 155.0816 29000.0 156.0654 38000.0 157.1083 35000.0 158.0923 530000.0 159.0957 28000.0 169.1087 10000.0 170.0924 21000.0 172.1079 200000.0 173.0921 390000.0 173.1089 17000.0 174.0956 11000.0 175.1189 420000.0 176.1224 15000.0 185.1021 11000.0 190.1189 19000.0 197.1032 100000.0 198.0873 130000.0 199.0887 10000.0 214.1296 33000.0 215.1137 360000.0 216.1169 15000.0 232.1404 2000000.0 233.1431 110000.0 END IONS BEGIN IONS SCANS=1368 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1369 PEPMASS=282.0575 CHARGE=1 COLLISION_ENERGY=0.0 112.0392 27000.0 115.0323 24000.0 120.0111 48000.0 122.0266 13000.0 129.0656 79000.0 153.9994 17000.0 161.0378 540000.0 162.0408 16000.0 177.9989 27000.0 195.0251 13000.0 282.0569 23000.0 END IONS BEGIN IONS SCANS=1370 PEPMASS=313.187 CHARGE=2 COLLISION_ENERGY=0.0 84.0443 87000.0 84.0807 23000.0 101.0708 24000.0 130.0496 43000.0 147.0763 30000.0 195.1306 33000.0 217.6412 28000.0 231.6385 13000.0 240.1746 14000.0 273.1573 17000.0 304.6736 16000.0 313.1868 68000.0 313.6884 24000.0 351.2379 30000.0 434.2747 15000.0 451.3041 17000.0 479.2972 32000.0 480.2972 11000.0 497.3122 11000.0 END IONS BEGIN IONS SCANS=1371 PEPMASS=248.1606 CHARGE=1 COLLISION_ENERGY=0.0 56.0493 23000.0 74.06 260000.0 84.0443 40000.0 84.0807 530000.0 85.0841 11000.0 101.1073 75000.0 129.1022 510000.0 130.0862 360000.0 130.1041 19000.0 131.0896 13000.0 147.1127 460000.0 148.1168 20000.0 167.1182 15000.0 169.0975 12000.0 170.0806 11000.0 185.1283 19000.0 187.1074 38000.0 204.134 13000.0 212.1403 18000.0 213.123 36000.0 230.15 79000.0 231.1319 29000.0 248.1605 320000.0 249.1633 25000.0 END IONS BEGIN IONS SCANS=1372 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1373 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1374 PEPMASS=277.139 CHARGE=1 COLLISION_ENERGY=0.0 84.0807 1500000.0 85.084 48000.0 130.0521 16000.0 130.0862 880000.0 131.0897 27000.0 148.0606 14000.0 167.1178 12000.0 168.1013 16000.0 195.1127 93000.0 213.1233 480000.0 214.1035 26000.0 214.1296 27000.0 231.1339 79000.0 259.1288 160000.0 260.1332 11000.0 277.1393 180000.0 278.1434 12000.0 END IONS BEGIN IONS SCANS=1375 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1376 PEPMASS=278.1424 CHARGE=1 COLLISION_ENERGY=0.0 84.0808 830000.0 85.084 71000.0 130.0862 420000.0 131.0898 51000.0 195.1129 44000.0 213.1234 210000.0 214.1064 14000.0 214.1286 44000.0 231.1339 38000.0 259.1288 62000.0 260.1332 17000.0 277.1394 64000.0 278.1418 19000.0 END IONS BEGIN IONS SCANS=1377 PEPMASS=282.0574 CHARGE=1 COLLISION_ENERGY=0.0 85.0759 18000.0 88.039 17000.0 89.0169 12000.0 111.055 13000.0 112.0392 48000.0 115.0323 47000.0 119.0273 12000.0 120.0115 95000.0 122.0269 26000.0 129.0657 150000.0 151.9834 14000.0 153.999 21000.0 161.0378 1000000.0 162.0404 26000.0 177.999 53000.0 195.026 30000.0 282.0574 51000.0 END IONS BEGIN IONS SCANS=1378 PEPMASS=304.1613 CHARGE=1 COLLISION_ENERGY=0.0 60.0555 270000.0 70.065 810000.0 71.049 12000.0 71.0682 15000.0 84.0441 35000.0 84.0806 34000.0 88.0756 20000.0 97.076 21000.0 98.0598 35000.0 102.0547 37000.0 112.0867 240000.0 112.0966 12000.0 113.0705 31000.0 115.0863 69000.0 116.0704 97000.0 129.0663 10000.0 129.1018 28000.0 130.0497 17000.0 130.086 20000.0 130.0969 27000.0 140.0813 57000.0 146.4771 11000.0 147.0761 14000.0 147.1122 17000.0 148.0599 25000.0 152.9913 13000.0 154.0608 35000.0 157.108 74000.0 158.0922 110000.0 172.0713 23000.0 175.1188 590000.0 176.1217 12000.0 181.098 11000.0 182.0813 31000.0 199.1069 14000.0 210.0753 16000.0 224.1025 30000.0 227.102 35000.0 228.0859 30000.0 241.1296 44000.0 244.1284 100000.0 245.1126 140000.0 252.0973 31000.0 258.1572 12000.0 269.1243 34000.0 270.1077 57000.0 286.1509 60000.0 287.1346 390000.0 288.1382 25000.0 303.1777 66000.0 304.161 1400000.0 305.1628 91000.0 END IONS BEGIN IONS SCANS=1379 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1380 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1381 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1382 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1383 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1384 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1385 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1386 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1387 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1388 PEPMASS=262.1507 CHARGE=1 COLLISION_ENERGY=0.0 60.0444 170000.0 60.0556 120000.0 70.0651 290000.0 72.0805 27000.0 82.0887 12000.0 88.0756 14000.0 100.0503 25000.0 105.0658 21000.0 112.0867 120000.0 113.0711 23000.0 114.1021 26000.0 115.0863 140000.0 116.0706 240000.0 130.0608 220000.0 130.0972 37000.0 138.067 12000.0 140.082 13000.0 141.9931 130000.0 144.0087 36000.0 152.9384 11000.0 157.095 14000.0 157.1096 26000.0 158.0923 330000.0 158.1088 21000.0 175.1188 660000.0 175.9801 18000.0 176.1223 29000.0 182.0302 11000.0 182.0931 19000.0 184.1077 14000.0 185.0915 16000.0 192.8383 11000.0 198.0882 15000.0 199.1187 18000.0 202.1188 49000.0 203.102 82000.0 227.114 84000.0 228.0983 25000.0 232.1398 57000.0 244.1402 76000.0 245.1241 240000.0 246.25 11000.0 262.1508 1600000.0 263.0129 240000.0 263.0467 18000.0 263.1542 95000.0 END IONS BEGIN IONS SCANS=1389 PEPMASS=204.134 CHARGE=1 COLLISION_ENERGY=0.0 75.055 19000.0 84.0807 1600000.0 85.0838 53000.0 101.1071 71000.0 112.0759 14000.0 129.1021 750000.0 130.0861 440000.0 130.1055 17000.0 131.0897 16000.0 139.0864 16000.0 141.102 77000.0 147.1127 300000.0 147.1274 16000.0 148.1162 10000.0 169.0973 43000.0 170.0801 15000.0 186.1233 70000.0 186.1417 13000.0 187.1075 290000.0 188.1107 15000.0 204.1341 480000.0 205.1361 29000.0 END IONS BEGIN IONS SCANS=1390 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1391 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1392 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1393 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1394 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1395 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1396 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1397 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1398 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1399 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1400 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1401 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1402 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1403 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1404 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1405 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1406 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1407 PEPMASS=276.155 CHARGE=1 COLLISION_ENERGY=0.0 56.0495 17000.0 59.3536 11000.0 65.5969 13000.0 70.0651 14000.0 84.0807 3800000.0 84.8463 13000.0 85.0838 100000.0 86.0966 14000.0 101.1073 250000.0 102.0548 28000.0 102.0912 23000.0 111.0922 12000.0 112.0757 43000.0 129.1021 660000.0 130.0497 29000.0 130.086 220000.0 130.1052 25000.0 133.1142 13000.0 146.9508 13000.0 147.1127 160000.0 148.0598 74000.0 197.1295 14000.0 213.1234 82000.0 240.1336 29000.0 241.1172 24000.0 242.1026 34000.0 258.1457 62000.0 259.1286 430000.0 260.1309 23000.0 276.1552 560000.0 277.1634 23000.0 END IONS BEGIN IONS SCANS=1408 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1409 PEPMASS=241.0309 CHARGE=1 COLLISION_ENERGY=0.0 52.2477 350000.0 73.0284 870000.0 74.0059 7300000.0 74.0236 36000000.0 76.0215 670000.0 88.0391 2700000.0 92.0164 1200000.0 97.0746 420000.0 105.0005 980000.0 105.0279 340000.0 105.9785 440000.0 107.9932 650000.0 120.0113 86000000.0 120.4747 360000.0 121.0143 1300000.0 122.0269 52000000.0 123.0303 560000.0 136.972 2000000.0 151.9833 110000000.0 152.9855 2400000.0 153.999 7300000.0 161.039 350000.0 167.2161 330000.0 177.9989 4000000.0 179.3551 350000.0 195.0253 9200000.0 205.9933 480000.0 222.4603 380000.0 224.004 950000.0 241.0309 24000000.0 242.0335 1200000.0 END IONS BEGIN IONS SCANS=1410 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1411 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1412 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1413 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1414 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1415 PEPMASS=243.0268 CHARGE=1 COLLISION_ENERGY=0.0 66.1604 53000.0 74.0058 700000.0 74.0236 5000000.0 75.0095 120000.0 75.0217 83000.0 75.0269 620000.0 76.0017 340000.0 76.0278 170000.0 78.0171 52000.0 88.0393 320000.0 92.0161 83000.0 105.0004 63000.0 109.989 67000.0 120.0113 7200000.0 121.0152 1700000.0 122.0071 4200000.0 122.0266 4300000.0 122.0359 73000.0 123.0119 77000.0 123.0305 1100000.0 124.0225 2600000.0 138.9682 240000.0 140.558 58000.0 151.9834 2700000.0 152.9859 2600000.0 153.9788 10000000.0 154.981 220000.0 154.9995 110000.0 155.9942 700000.0 177.9984 75000.0 179.0006 130000.0 179.9947 370000.0 191.0848 55000.0 195.0253 75000.0 196.0284 270000.0 197.0212 740000.0 207.9894 90000.0 226.0 120000.0 242.0336 1100000.0 243.0269 2400000.0 244.0283 130000.0 268.5825 55000.0 END IONS BEGIN IONS SCANS=1416 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1417 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1418 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1419 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1420 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1421 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1422 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1423 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1424 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1425 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1426 PEPMASS=303.1772 CHARGE=1 COLLISION_ENERGY=0.0 60.0556 190000.0 70.0651 590000.0 84.0443 36000.0 88.0756 28000.0 97.0758 29000.0 98.06 32000.0 101.0709 32000.0 112.0868 250000.0 113.0713 13000.0 114.1021 16000.0 115.0866 81000.0 116.0705 63000.0 129.066 13000.0 130.0496 94000.0 130.097 15000.0 140.0818 80000.0 147.0767 170000.0 148.2374 10000.0 154.0608 13000.0 157.1083 130000.0 158.0923 150000.0 175.1188 510000.0 176.1227 13000.0 181.0977 15000.0 199.1074 11000.0 199.9887 10000.0 208.1083 11000.0 209.0916 21000.0 210.0778 14000.0 224.1016 12000.0 225.1367 13000.0 226.1196 14000.0 227.1027 61000.0 241.1298 72000.0 243.1445 39000.0 244.129 110000.0 245.1133 29000.0 251.115 13000.0 252.0976 71000.0 253.1001 11000.0 258.1548 44000.0 267.1588 12000.0 268.14 34000.0 269.1244 91000.0 285.1656 25000.0 286.1509 440000.0 287.1371 65000.0 303.1775 1100000.0 304.1587 280000.0 END IONS BEGIN IONS SCANS=1427 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1428 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1429 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1430 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1431 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1432 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1433 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1434 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1435 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1436 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1437 PEPMASS=251.1661 CHARGE=2 COLLISION_ENERGY=0.0 56.4714 16000.0 60.0556 450000.0 70.0651 980000.0 71.0492 84000.0 71.0684 29000.0 72.0812 15000.0 77.3585 15000.0 86.0963 110000.0 88.0757 45000.0 98.0607 15000.0 99.9202 16000.0 100.0504 39000.0 112.0867 260000.0 113.07 17000.0 113.0901 18000.0 115.0866 86000.0 116.0708 120000.0 127.0872 24000.0 130.0965 16000.0 140.0817 42000.0 143.1175 21000.0 157.1081 72000.0 158.0927 110000.0 172.1073 22000.0 173.092 39000.0 175.1188 200000.0 183.1488 120000.0 184.8331 15000.0 189.1207 15000.0 198.0864 19000.0 210.159 36000.0 211.1449 26000.0 213.1302 31000.0 215.1139 100000.0 221.6424 110000.0 222.1443 28000.0 225.1703 130000.0 232.1399 210000.0 233.1426 20000.0 242.1973 46000.0 242.6531 280000.0 243.1557 80000.0 251.1663 1100000.0 251.6676 280000.0 252.1687 44000.0 253.1664 14000.0 270.1934 44000.0 327.2134 73000.0 328.197 82000.0 344.2427 31000.0 345.2245 300000.0 346.2273 55000.0 355.2075 52000.0 356.213 20000.0 425.2532 22000.0 442.2781 50000.0 484.2958 18000.0 488.5402 15000.0 514.5861 16000.0 END IONS BEGIN IONS SCANS=1438 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1439 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1440 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1441 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1442 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1443 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1444 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1445 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1446 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1447 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1448 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1449 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1450 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1451 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1452 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1453 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1454 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1455 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1456 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1457 PEPMASS=275.171 CHARGE=1 COLLISION_ENERGY=0.0 72.2308 22000.0 84.0445 44000.0 84.0807 3800000.0 85.0841 82000.0 101.0708 62000.0 101.1072 420000.0 102.0915 35000.0 112.0756 67000.0 120.498 22000.0 129.1021 1200000.0 130.0497 200000.0 130.0862 65000.0 147.0762 460000.0 147.1002 20000.0 147.1126 130000.0 148.6954 22000.0 213.1224 21000.0 222.1238 24000.0 240.1344 99000.0 241.1189 51000.0 257.1599 34000.0 258.1448 300000.0 259.1296 72000.0 275.1714 570000.0 276.1515 140000.0 END IONS BEGIN IONS SCANS=1458 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1459 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1460 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1461 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1462 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1463 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1464 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1465 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1466 PEPMASS=263.0128 CHARGE=1 COLLISION_ENERGY=0.0 60.0443 150000.0 60.0556 100000.0 70.0651 190000.0 70.0698 13000.0 72.0808 25000.0 100.0504 26000.0 112.0868 83000.0 113.071 32000.0 114.1033 10000.0 115.0863 100000.0 116.0705 150000.0 130.061 180000.0 130.0973 29000.0 140.0818 11000.0 141.9932 140000.0 144.0088 54000.0 157.1084 21000.0 158.0923 270000.0 159.0955 21000.0 175.1189 420000.0 175.9804 11000.0 176.1219 35000.0 184.1068 10000.0 185.0901 11000.0 198.0869 12000.0 199.1193 25000.0 202.1179 21000.0 203.1025 69000.0 215.1133 12000.0 217.9919 17000.0 227.114 45000.0 228.098 25000.0 232.1403 31000.0 244.1402 32000.0 245.1238 140000.0 246.1261 15000.0 262.1508 1000000.0 263.013 200000.0 263.047 16000.0 263.1539 140000.0 264.0175 12000.0 END IONS BEGIN IONS SCANS=1467 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1468 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1469 PEPMASS=278.9866 CHARGE=1 COLLISION_ENERGY=0.0 279.0931 15000.0 END IONS BEGIN IONS SCANS=1470 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1471 PEPMASS=396.2363 CHARGE=2 COLLISION_ENERGY=0.0 84.0442 13000.0 84.0807 410000.0 85.0842 18000.0 101.1073 12000.0 102.0547 36000.0 102.0915 21000.0 120.0807 27000.0 129.1021 80000.0 130.0858 22000.0 147.1129 68000.0 226.1544 42000.0 231.149 77000.0 232.1525 12000.0 244.1657 120000.0 245.1689 13000.0 259.1437 59000.0 260.1484 11000.0 318.2182 36000.0 345.2145 17000.0 360.1961 10000.0 366.6994 34000.0 374.2231 19000.0 387.2316 23000.0 387.7333 18000.0 388.1867 41000.0 396.2366 140000.0 396.7387 55000.0 397.2431 15000.0 419.2642 14000.0 447.2599 75000.0 448.2646 19000.0 489.2305 12000.0 504.2803 25000.0 520.3132 25000.0 521.3181 12000.0 530.299 14000.0 548.308 75000.0 549.3084 29000.0 621.3245 22000.0 END IONS BEGIN IONS SCANS=1472 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1473 PEPMASS=234.1447 CHARGE=1 COLLISION_ENERGY=0.0 60.0443 480000.0 84.0807 2100000.0 85.084 57000.0 101.1072 270000.0 101.1157 13000.0 102.0913 29000.0 105.0656 17000.0 107.3291 10000.0 111.0912 13000.0 122.9594 11000.0 128.0701 23000.0 129.1021 1800000.0 130.0861 1200000.0 130.104 66000.0 131.0893 18000.0 139.0871 14000.0 147.1126 1200000.0 148.1157 37000.0 153.1024 17000.0 157.0964 15000.0 163.0863 20000.0 169.0955 13000.0 171.1125 110000.0 173.4998 11000.0 181.0973 27000.0 198.1236 43000.0 199.1073 130000.0 204.134 13000.0 216.134 240000.0 217.1176 160000.0 234.1447 1000000.0 235.1475 55000.0 244.5577 11000.0 END IONS BEGIN IONS SCANS=1474 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1475 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1476 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1477 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1478 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1479 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1480 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1481 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1482 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1483 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1484 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1485 PEPMASS=261.1556 CHARGE=1 COLLISION_ENERGY=0.0 70.0287 18000.0 70.0651 25000.0 82.0652 12000.0 84.0807 940000.0 85.084 25000.0 87.0552 190000.0 88.0392 85000.0 101.1072 100000.0 111.0915 64000.0 112.0755 17000.0 127.0868 24000.0 128.07 18000.0 129.1021 1700000.0 130.0862 430000.0 130.1048 64000.0 131.0897 10000.0 139.0865 51000.0 147.1127 470000.0 148.1161 13000.0 156.1127 19000.0 157.0969 280000.0 158.1007 10000.0 164.0714 13000.0 167.0813 23000.0 175.1196 11000.0 180.113 13000.0 181.0977 15000.0 184.1079 180000.0 185.0919 16000.0 191.0813 14000.0 198.1236 71000.0 199.1075 15000.0 204.134 14000.0 208.1077 29000.0 209.0918 560000.0 210.0729 10000.0 210.0968 36000.0 225.1349 14000.0 226.1187 270000.0 227.0994 55000.0 227.1269 13000.0 243.1457 66000.0 244.1288 280000.0 245.1315 17000.0 261.1556 650000.0 262.1564 72000.0 END IONS BEGIN IONS SCANS=1486 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1487 PEPMASS=289.1616 CHARGE=1 COLLISION_ENERGY=0.0 60.0555 180000.0 60.0592 15000.0 70.0651 690000.0 71.0492 13000.0 71.0687 13000.0 87.0549 20000.0 88.0393 19000.0 88.0755 28000.0 97.0759 21000.0 98.0597 18000.0 112.0775 16000.0 112.0868 210000.0 113.0709 13000.0 114.1026 24000.0 115.0864 71000.0 116.0704 47000.0 130.0972 17000.0 133.061 45000.0 140.0815 67000.0 141.1024 12000.0 157.0731 11000.0 157.1081 99000.0 158.0923 85000.0 167.0809 12000.0 175.1188 410000.0 183.1248 20000.0 195.0763 36000.0 196.0714 14000.0 200.1509 78000.0 212.1028 33000.0 213.0863 110000.0 227.1137 20000.0 229.1297 15000.0 230.113 80000.0 231.0982 29000.0 238.0824 34000.0 254.1249 21000.0 255.1086 140000.0 272.1351 650000.0 273.1145 66000.0 289.1617 660000.0 290.1436 260000.0 END IONS BEGIN IONS SCANS=1488 PEPMASS=182.9849 CHARGE=1 COLLISION_ENERGY=0.0 97.9687 13000.0 113.9636 44000.0 131.9743 12000.0 141.9586 11000.0 159.9693 12000.0 END IONS BEGIN IONS SCANS=1489 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1490 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1491 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1492 PEPMASS=304.0269 CHARGE=1 COLLISION_ENERGY=0.0 156.0508 11000.0 182.0296 22000.0 193.9791 44000.0 200.0401 16000.0 263.0004 19000.0 281.011 61000.0 END IONS BEGIN IONS SCANS=1493 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1494 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1495 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1496 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1497 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1498 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1499 PEPMASS=151.0351 CHARGE=1 COLLISION_ENERGY=0.0 68.9822 20000.0 74.0236 36000.0 82.0137 42000.0 86.9927 35000.0 100.0243 80000.0 105.0032 34000.0 110.0085 72000.0 118.0348 27000.0 128.0191 380000.0 129.0202 45000.0 146.0296 77000.0 147.0309 11000.0 151.0354 32000.0 END IONS BEGIN IONS SCANS=1500 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1501 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1502 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1503 PEPMASS=278.9867 CHARGE=1 COLLISION_ENERGY=0.0 70.065 24000.0 86.0963 15000.0 197.1034 13000.0 279.0926 13000.0 279.6769 28000.0 END IONS BEGIN IONS SCANS=1504 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1505 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1506 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1507 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1508 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1509 PEPMASS=304.0269 CHARGE=1 COLLISION_ENERGY=0.0 70.0649 12000.0 156.0507 24000.0 175.1187 11000.0 182.0298 46000.0 193.9791 110000.0 200.0405 30000.0 201.9833 10000.0 211.9884 13000.0 216.9949 10000.0 219.0106 23000.0 263.0003 50000.0 281.011 140000.0 282.0128 14000.0 304.0272 14000.0 304.1605 11000.0 END IONS BEGIN IONS SCANS=1510 PEPMASS=151.0351 CHARGE=1 COLLISION_ENERGY=0.0 68.9821 32000.0 74.0237 93000.0 82.0137 58000.0 86.9927 53000.0 100.0243 100000.0 101.0253 12000.0 105.0032 47000.0 110.0087 130000.0 111.0095 12000.0 118.0348 32000.0 128.0192 540000.0 129.0203 60000.0 146.0298 100000.0 151.0353 45000.0 END IONS BEGIN IONS SCANS=1511 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1512 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1513 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1514 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1515 PEPMASS=376.2189 CHARGE=1 COLLISION_ENERGY=0.0 74.0599 170000.0 84.0442 22000.0 84.0806 78000.0 88.0391 43000.0 101.0709 16000.0 119.0813 270000.0 120.0111 13000.0 129.0654 11000.0 129.102 120000.0 130.0861 64000.0 140.0703 12000.0 147.1125 130000.0 169.0606 12000.0 178.0502 15000.0 195.0763 68000.0 202.1187 18000.0 203.1011 11000.0 212.1019 16000.0 230.1133 140000.0 231.1198 11000.0 239.1491 13000.0 240.1333 23000.0 255.9776 12000.0 257.1605 39000.0 258.1444 70000.0 275.1705 20000.0 323.1712 22000.0 376.2185 200000.0 377.2238 29000.0 END IONS BEGIN IONS SCANS=1516 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1517 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1518 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1519 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1520 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1521 PEPMASS=473.3445 CHARGE=1 COLLISION_ENERGY=0.0 72.0807 33000.0 84.0807 170000.0 101.1072 35000.0 129.1021 240000.0 130.0861 31000.0 147.1127 94000.0 171.1492 16000.0 183.1489 72000.0 200.1752 12000.0 210.1595 13000.0 228.1707 29000.0 246.1811 100000.0 299.2457 11000.0 309.2281 15000.0 327.2387 25000.0 345.2501 28000.0 473.25 10000.0 473.3438 140000.0 474.3467 24000.0 END IONS BEGIN IONS SCANS=1522 PEPMASS=298.0525 CHARGE=1 COLLISION_ENERGY=0.0 70.0651 15000.0 84.0445 11000.0 85.0396 11000.0 92.0162 16000.0 112.0391 21000.0 122.0269 88000.0 130.0497 120000.0 131.0447 47000.0 145.0609 13000.0 151.9834 20000.0 177.0327 260000.0 179.0484 17000.0 195.0251 13000.0 235.0206 41000.0 298.0521 33000.0 END IONS BEGIN IONS SCANS=1523 PEPMASS=173.1341 CHARGE=2 COLLISION_ENERGY=0.0 60.0807 20000.0 70.0652 15000.0 84.0807 74000.0 143.5971 24000.0 173.1339 76000.0 173.6356 11000.0 175.1187 40000.0 END IONS BEGIN IONS SCANS=1524 PEPMASS=427.0953 CHARGE=1 COLLISION_ENERGY=0.0 84.0443 48000.0 92.0165 16000.0 99.0551 10000.0 112.0394 35000.0 120.011 11000.0 122.0269 170000.0 130.0497 260000.0 131.0441 45000.0 131.9935 11000.0 145.0607 43000.0 151.9836 27000.0 153.0654 13000.0 153.9991 30000.0 162.0219 14000.0 177.0327 370000.0 177.999 29000.0 178.0354 15000.0 179.0484 39000.0 181.0603 14000.0 185.0378 20000.0 195.026 48000.0 199.0712 41000.0 209.0048 12000.0 231.0432 270000.0 232.0455 14000.0 235.0204 110000.0 257.0758 16000.0 288.0642 15000.0 298.0525 230000.0 299.0546 19000.0 352.0634 23000.0 END IONS BEGIN IONS SCANS=1525 PEPMASS=182.9849 CHARGE=1 COLLISION_ENERGY=0.0 113.9636 23000.0 END IONS BEGIN IONS SCANS=1526 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1527 PEPMASS=167.0127 CHARGE=1 COLLISION_ENERGY=0.0 84.9596 170000.0 102.9701 37000.0 120.0806 17000.0 125.9862 20000.0 143.9967 25000.0 END IONS BEGIN IONS SCANS=1528 PEPMASS=255.944 CHARGE=1 COLLISION_ENERGY=0.0 84.9596 54000.0 158.9277 58000.0 176.9382 22000.0 186.9227 42000.0 204.9333 40000.0 214.9176 40000.0 222.9439 11000.0 232.9281 140000.0 250.9385 51000.0 255.9441 13000.0 END IONS BEGIN IONS SCANS=1529 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1530 PEPMASS=385.9017 CHARGE=1 COLLISION_ENERGY=0.0 214.9174 21000.0 232.9279 46000.0 250.9389 14000.0 END IONS BEGIN IONS SCANS=1531 PEPMASS=143.9967 CHARGE=1 COLLISION_ENERGY=0.0 84.9597 22000.0 121.9661 62000.0 144.0108 11000.0 END IONS BEGIN IONS SCANS=1532 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1533 PEPMASS=125.9862 CHARGE=1 COLLISION_ENERGY=0.0 56.9647 28000.0 84.9596 2400000.0 85.9629 11000.0 102.9701 190000.0 120.9808 14000.0 125.986 50000.0 143.9967 14000.0 END IONS BEGIN IONS SCANS=1534 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1535 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1536 PEPMASS=282.9048 CHARGE=1 COLLISION_ENERGY=0.0 232.9278 25000.0 END IONS BEGIN IONS SCANS=1537 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1538 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1539 PEPMASS=491.7875 CHARGE=2 COLLISION_ENERGY=0.0 110.0713 15000.0 197.1283 13000.0 355.2218 16000.0 369.2193 18000.0 411.7644 19000.0 425.761 31000.0 426.2625 13000.0 483.277 12000.0 491.7882 54000.0 492.2897 27000.0 END IONS BEGIN IONS SCANS=1540 PEPMASS=167.0127 CHARGE=1 COLLISION_ENERGY=0.0 84.9596 31000.0 120.0806 19000.0 END IONS BEGIN IONS SCANS=1541 PEPMASS=241.0309 CHARGE=1 COLLISION_ENERGY=0.0 74.0236 22000.0 120.0113 53000.0 122.0269 30000.0 151.9834 61000.0 241.0311 11000.0 END IONS BEGIN IONS SCANS=1542 PEPMASS=125.9861 CHARGE=1 COLLISION_ENERGY=0.0 84.9596 360000.0 102.9702 68000.0 120.9807 16000.0 125.9859 14000.0 END IONS BEGIN IONS SCANS=1543 PEPMASS=241.0309 CHARGE=1 COLLISION_ENERGY=0.0 74.0237 19000.0 120.0113 45000.0 122.0269 27000.0 151.9833 54000.0 END IONS BEGIN IONS SCANS=1544 PEPMASS=125.9861 CHARGE=1 COLLISION_ENERGY=0.0 84.9596 330000.0 102.9702 61000.0 120.9806 18000.0 125.9867 11000.0 END IONS BEGIN IONS SCANS=1545 PEPMASS=125.9861 CHARGE=1 COLLISION_ENERGY=0.0 84.9596 340000.0 102.9702 63000.0 120.9807 16000.0 END IONS BEGIN IONS SCANS=1546 PEPMASS=167.0127 CHARGE=1 COLLISION_ENERGY=0.0 84.9596 26000.0 120.0805 20000.0 END IONS BEGIN IONS SCANS=1547 PEPMASS=241.0309 CHARGE=1 COLLISION_ENERGY=0.0 74.0236 25000.0 120.0112 55000.0 122.0269 35000.0 151.9834 61000.0 241.0311 14000.0 END IONS BEGIN IONS SCANS=1548 PEPMASS=241.031 CHARGE=1 COLLISION_ENERGY=0.0 74.0236 26000.0 120.0113 60000.0 122.027 38000.0 151.9834 75000.0 241.0306 16000.0 END IONS BEGIN IONS SCANS=1549 PEPMASS=241.0309 CHARGE=1 COLLISION_ENERGY=0.0 74.0056 14000.0 74.0236 60000.0 120.0113 140000.0 122.0269 82000.0 151.9833 140000.0 153.9992 11000.0 195.0252 17000.0 241.0313 31000.0 END IONS BEGIN IONS SCANS=1550 PEPMASS=125.9861 CHARGE=1 COLLISION_ENERGY=0.0 84.9596 290000.0 102.9702 55000.0 120.981 13000.0 END IONS BEGIN IONS SCANS=1551 PEPMASS=125.9861 CHARGE=1 COLLISION_ENERGY=0.0 84.9597 300000.0 102.9702 46000.0 120.9807 14000.0 126.037 12000.0 END IONS nf_output/clustering/spectra_filtered.mgf0000644000000000000000000060655414777454545020036 0ustar rootrootBEGIN IONS SCANS=1 PEPMASS=124.0867 CHARGE=1 COLLISION_ENERGY=0.0 42.0338 62000.0 83.0604 18000.0 END IONS BEGIN IONS SCANS=2 PEPMASS=709.5136 CHARGE=1 COLLISION_ENERGY=0.0 307.1097 15000.0 327.0779 120000.0 328.0803 29000.0 383.1405 300000.0 384.1435 100000.0 439.2029 560000.0 440.2064 260000.0 441.21 29000.0 495.2656 970000.0 496.2691 570000.0 497.2731 68000.0 551.3281 470000.0 552.3314 330000.0 552.442 11000.0 553.3339 38000.0 607.3906 290000.0 608.394 280000.0 609.3961 40000.0 663.4549 100000.0 664.4556 120000.0 665.458 23000.0 END IONS BEGIN IONS SCANS=3 PEPMASS=708.5103 CHARGE=1 COLLISION_ENERGY=0.0 147.1175 13000.0 251.0472 15000.0 307.1101 15000.0 327.0335 11000.0 327.078 140000.0 328.0805 15000.0 363.1712 12000.0 383.1405 420000.0 384.144 56000.0 439.203 890000.0 440.2065 140000.0 495.2656 1700000.0 496.2689 330000.0 551.3284 980000.0 552.3314 230000.0 607.3906 750000.0 608.3947 220000.0 663.4531 340000.0 664.4559 100000.0 END IONS BEGIN IONS SCANS=4 PEPMASS=680.4788 CHARGE=1 COLLISION_ENERGY=0.0 383.1391 10000.0 439.2023 23000.0 495.2653 40000.0 496.2702 13000.0 551.3271 25000.0 607.3926 18000.0 END IONS BEGIN IONS SCANS=5 PEPMASS=663.4525 CHARGE=1 COLLISION_ENERGY=0.0 91.0541 14000.0 147.1168 42000.0 251.0467 63000.0 307.1091 51000.0 327.0776 600000.0 328.0811 68000.0 363.1717 24000.0 383.1403 1200000.0 384.1437 180000.0 439.2029 1900000.0 440.2063 340000.0 495.2655 3100000.0 496.269 660000.0 551.3281 1500000.0 552.3314 370000.0 607.3905 560000.0 608.3942 160000.0 END IONS BEGIN IONS SCANS=6 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8 PEPMASS=124.0867 CHARGE=1 COLLISION_ENERGY=0.0 83.0602 11000.0 END IONS BEGIN IONS SCANS=9 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=12 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=13 PEPMASS=338.341 CHARGE=1 COLLISION_ENERGY=0.0 57.0698 130000.0 69.0699 130000.0 71.0855 82000.0 83.0854 170000.0 95.0855 100000.0 97.1011 170000.0 100.0756 63000.0 109.1011 72000.0 111.1166 91000.0 114.0912 56000.0 121.101 59000.0 135.1167 75000.0 153.1274 21000.0 156.1381 16000.0 163.1483 28000.0 167.1438 13000.0 177.164 19000.0 191.1789 13000.0 254.2477 11000.0 303.3047 58000.0 304.3063 11000.0 END IONS BEGIN IONS SCANS=14 PEPMASS=228.1953 CHARGE=1 COLLISION_ENERGY=0.0 67.0542 51000.0 69.0698 39000.0 81.0698 90000.0 83.0855 80000.0 95.0855 220000.0 97.1011 59000.0 109.1011 130000.0 111.0806 18000.0 119.0857 26000.0 123.1166 20000.0 133.1012 30000.0 137.0954 18000.0 151.1478 17000.0 175.148 87000.0 193.1588 37000.0 END IONS BEGIN IONS SCANS=15 PEPMASS=431.3836 CHARGE=1 COLLISION_ENERGY=0.0 81.0698 20000.0 83.0856 12000.0 95.0854 23000.0 107.0853 10000.0 END IONS BEGIN IONS SCANS=16 PEPMASS=171.1488 CHARGE=1 COLLISION_ENERGY=0.0 46.0651 22000.0 72.0442 15000.0 89.0709 24000.0 END IONS BEGIN IONS SCANS=17 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=18 PEPMASS=392.2538 CHARGE=1 COLLISION_ENERGY=0.0 55.6346 12000.0 57.0698 3300000.0 58.0731 48000.0 63.111 25000.0 88.0737 13000.0 102.0912 110000.0 106.7284 13000.0 123.055 40000.0 124.0384 14000.0 126.0547 18000.0 178.0387 16000.0 181.0183 15000.0 207.1127 1200000.0 209.1282 420000.0 218.1281 78000.0 219.1133 70000.0 224.1392 730000.0 225.145 67000.0 275.1756 130000.0 290.1866 170000.0 291.1669 22000.0 292.1605 22000.0 292.202 640000.0 293.1859 1000000.0 302.1862 1500000.0 308.1967 4100000.0 309.1997 470000.0 318.1835 95000.0 343.2227 16000.0 358.2487 310000.0 END IONS BEGIN IONS SCANS=19 PEPMASS=144.9818 CHARGE=1 COLLISION_ENERGY=0.0 62.929 22000.0 103.9556 24000.0 121.9661 330000.0 END IONS BEGIN IONS SCANS=20 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=21 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=22 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=23 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=24 PEPMASS=394.289 CHARGE=1 COLLISION_ENERGY=0.0 57.0699 1000000.0 81.1454 110000.0 81.6586 120000.0 106.7929 95000.0 161.6604 100000.0 209.1289 660000.0 275.1759 230000.0 292.2013 850000.0 293.1837 1300000.0 294.1901 490000.0 302.1861 2000000.0 303.1894 770000.0 308.1954 120000.0 309.1983 280000.0 358.2497 300000.0 359.2527 210000.0 END IONS BEGIN IONS SCANS=25 PEPMASS=393.2856 CHARGE=1 COLLISION_ENERGY=0.0 57.0698 2800000.0 59.9988 99000.0 61.5599 87000.0 78.3098 110000.0 82.9206 97000.0 102.0914 130000.0 102.9843 130000.0 159.2303 110000.0 207.1125 540000.0 208.1166 110000.0 209.1284 1100000.0 210.1129 130000.0 218.1287 170000.0 224.1386 290000.0 275.1758 260000.0 292.2021 1200000.0 293.1857 2700000.0 294.1902 220000.0 302.1862 3800000.0 303.1899 440000.0 308.1967 2100000.0 309.199 530000.0 358.2486 740000.0 END IONS BEGIN IONS SCANS=26 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=27 PEPMASS=377.2624 CHARGE=1 COLLISION_ENERGY=0.0 57.0698 12000000.0 58.0731 900000.0 58.0764 82000.0 63.1368 110000.0 70.8596 52000.0 84.0806 130000.0 102.091 120000.0 108.0441 94000.0 125.0708 690000.0 126.0549 980000.0 127.0586 120000.0 135.0552 90000.0 174.091 55000.0 181.1436 52000.0 181.1611 85000.0 191.118 190000.0 192.1016 180000.0 208.1442 760000.0 209.1282 8300000.0 210.1117 820000.0 210.1319 1500000.0 218.1287 2200000.0 219.1123 1000000.0 274.1918 540000.0 275.1747 3500000.0 276.1783 1100000.0 292.2017 9700000.0 293.1826 9600000.0 294.1887 3500000.0 302.1861 19000000.0 303.1893 6500000.0 304.1918 400000.0 343.226 360000.0 344.2277 180000.0 348.2642 71000.0 END IONS BEGIN IONS SCANS=28 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=29 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=30 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=31 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=32 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=33 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=34 PEPMASS=376.259 CHARGE=1 COLLISION_ENERGY=0.0 52.2616 440000.0 55.2401 420000.0 57.0698 17000000.0 87.0875 370000.0 125.0709 450000.0 126.0549 1200000.0 139.1772 370000.0 172.2729 410000.0 172.336 370000.0 208.1437 590000.0 209.128 11000000.0 210.1114 960000.0 216.7059 440000.0 218.1286 3000000.0 219.1126 1500000.0 274.1935 650000.0 275.1741 4800000.0 276.1783 690000.0 292.202 16000000.0 293.1847 16000000.0 294.1892 1500000.0 302.1862 29000000.0 303.1896 3300000.0 END IONS BEGIN IONS SCANS=35 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=36 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=37 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=38 PEPMASS=421.3166 CHARGE=1 COLLISION_ENERGY=0.0 54.8423 38000.0 57.0698 440000.0 67.3604 33000.0 80.3647 34000.0 202.0641 38000.0 209.1283 370000.0 210.1112 48000.0 218.1297 42000.0 219.1127 36000.0 275.1755 130000.0 292.2018 530000.0 293.1848 730000.0 294.1876 110000.0 302.186 1300000.0 303.1898 190000.0 310.4553 39000.0 358.2491 220000.0 359.2534 40000.0 376.2592 26000000.0 377.2626 4200000.0 381.0991 37000.0 394.2701 160000.0 END IONS BEGIN IONS SCANS=39 PEPMASS=88.0755 CHARGE=1 COLLISION_ENERGY=0.0 43.0179 22000.0 46.0651 160000.0 END IONS BEGIN IONS SCANS=40 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=41 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=42 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=43 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=44 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=45 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=46 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=47 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=48 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=49 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=50 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=51 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=52 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=53 PEPMASS=124.0867 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=54 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=55 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=56 PEPMASS=377.2624 CHARGE=1 COLLISION_ENERGY=0.0 57.0699 2100000.0 58.0731 150000.0 84.0808 19000.0 102.0911 17000.0 108.0442 15000.0 125.0708 130000.0 126.0549 190000.0 126.0743 15000.0 127.0585 21000.0 191.1182 41000.0 192.1018 11000.0 208.1443 160000.0 209.1282 1200000.0 210.1116 110000.0 210.132 240000.0 218.1287 430000.0 219.1125 140000.0 274.1916 82000.0 275.1746 590000.0 276.1783 220000.0 292.2018 1300000.0 293.1876 820000.0 294.1883 370000.0 302.1862 2100000.0 303.1893 840000.0 304.1922 59000.0 343.226 55000.0 344.2271 30000.0 END IONS BEGIN IONS SCANS=57 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=58 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=59 PEPMASS=432.2373 CHARGE=1 COLLISION_ENERGY=0.0 57.0335 22000.0 69.0335 150000.0 81.0336 27000.0 83.0491 51000.0 85.0283 51000.0 93.0698 64000.0 105.0698 1600000.0 106.0731 88000.0 111.0442 78000.0 121.0648 630000.0 129.0546 120000.0 147.0653 78000.0 267.1222 29000.0 387.1818 19000.0 END IONS BEGIN IONS SCANS=60 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=61 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=62 PEPMASS=421.3166 CHARGE=1 COLLISION_ENERGY=0.0 57.0697 65000.0 209.1281 47000.0 275.1768 15000.0 292.2018 74000.0 293.1855 140000.0 294.1881 16000.0 302.1862 160000.0 303.189 21000.0 358.2486 50000.0 376.2597 6900000.0 377.2627 1000000.0 394.2697 36000.0 END IONS BEGIN IONS SCANS=63 PEPMASS=387.1795 CHARGE=1 COLLISION_ENERGY=0.0 105.0699 2900000.0 106.0731 150000.0 119.0492 46000.0 175.0152 11000.0 END IONS BEGIN IONS SCANS=64 PEPMASS=404.206 CHARGE=1 COLLISION_ENERGY=0.0 91.0543 13000.0 105.0696 24000.0 END IONS BEGIN IONS SCANS=65 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=66 PEPMASS=88.0755 CHARGE=1 COLLISION_ENERGY=0.0 43.0178 13000.0 46.0651 76000.0 END IONS BEGIN IONS SCANS=67 PEPMASS=394.2889 CHARGE=1 COLLISION_ENERGY=0.0 57.0698 100000.0 209.1281 64000.0 210.1329 15000.0 218.129 12000.0 275.1762 17000.0 292.2019 90000.0 293.1827 110000.0 294.1892 45000.0 302.1861 180000.0 303.1894 76000.0 309.1994 17000.0 348.2259 14000.0 349.2311 10000.0 358.2487 34000.0 END IONS BEGIN IONS SCANS=68 PEPMASS=351.2385 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=69 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=70 PEPMASS=393.2855 CHARGE=1 COLLISION_ENERGY=0.0 57.0698 390000.0 58.0732 19000.0 89.0594 10000.0 125.0704 10000.0 126.0551 15000.0 207.1129 29000.0 209.1282 270000.0 210.1122 25000.0 218.1286 42000.0 219.1124 24000.0 224.1396 22000.0 274.1905 12000.0 275.1752 82000.0 291.1961 10000.0 292.2017 390000.0 293.1848 510000.0 294.1892 66000.0 302.1861 810000.0 303.1893 100000.0 308.1969 80000.0 309.1988 44000.0 343.228 14000.0 348.2268 59000.0 358.2489 140000.0 END IONS BEGIN IONS SCANS=71 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=72 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=73 PEPMASS=376.2589 CHARGE=1 COLLISION_ENERGY=0.0 57.0698 1200000.0 89.5115 110000.0 93.8856 100000.0 99.4856 100000.0 105.4192 100000.0 130.821 110000.0 137.5518 110000.0 209.1286 1000000.0 218.129 210000.0 219.1122 190000.0 275.1746 310000.0 292.2017 1500000.0 293.185 2200000.0 294.1892 250000.0 302.1861 3300000.0 303.1892 270000.0 326.9111 110000.0 END IONS BEGIN IONS SCANS=74 PEPMASS=288.2529 CHARGE=1 COLLISION_ENERGY=0.0 70.0651 16000.0 88.0756 140000.0 106.0862 240000.0 227.2004 61000.0 END IONS BEGIN IONS SCANS=75 PEPMASS=331.0808 CHARGE=1 COLLISION_ENERGY=0.0 270.0528 24000.0 END IONS BEGIN IONS SCANS=76 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=77 PEPMASS=326.3776 CHARGE=1 COLLISION_ENERGY=0.0 57.0698 63000.0 58.0651 33000.0 71.0853 18000.0 85.1012 24000.0 184.2062 21000.0 186.2215 350000.0 187.2241 36000.0 END IONS BEGIN IONS SCANS=78 PEPMASS=171.1489 CHARGE=1 COLLISION_ENERGY=0.0 46.0651 120000.0 72.0443 96000.0 83.0855 29000.0 89.0709 150000.0 END IONS BEGIN IONS SCANS=79 PEPMASS=327.3811 CHARGE=1 COLLISION_ENERGY=0.0 57.0698 37000.0 58.065 14000.0 71.0855 16000.0 184.2059 16000.0 186.2215 190000.0 187.2245 38000.0 END IONS BEGIN IONS SCANS=80 PEPMASS=163.1326 CHARGE=1 COLLISION_ENERGY=0.0 121.101 11000.0 END IONS BEGIN IONS SCANS=81 PEPMASS=393.2854 CHARGE=1 COLLISION_ENERGY=0.0 57.0698 13000.0 292.2005 11000.0 293.1853 13000.0 302.1859 19000.0 END IONS BEGIN IONS SCANS=82 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=83 PEPMASS=244.1904 CHARGE=1 COLLISION_ENERGY=0.0 81.0698 22000.0 83.0855 21000.0 95.0855 16000.0 97.1009 18000.0 107.0853 14000.0 121.1008 13000.0 163.1479 38000.0 173.1324 13000.0 180.1746 59000.0 181.1585 17000.0 198.1849 16000.0 208.1696 12000.0 END IONS BEGIN IONS SCANS=84 PEPMASS=226.1799 CHARGE=1 COLLISION_ENERGY=0.0 69.0698 99000.0 81.0698 210000.0 83.0854 230000.0 93.0698 74000.0 95.0854 180000.0 97.1011 160000.0 100.0756 61000.0 107.0854 160000.0 111.0803 73000.0 114.0912 60000.0 121.1011 130000.0 124.112 75000.0 163.148 290000.0 173.1322 66000.0 180.1746 470000.0 181.1585 110000.0 181.1777 29000.0 198.1853 110000.0 END IONS BEGIN IONS SCANS=85 PEPMASS=266.1723 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=86 PEPMASS=227.1831 CHARGE=1 COLLISION_ENERGY=0.0 55.0542 22000.0 69.0699 28000.0 81.0698 56000.0 83.0854 68000.0 95.0855 52000.0 97.101 40000.0 100.0756 17000.0 107.0854 35000.0 111.0803 16000.0 114.0911 18000.0 121.1011 36000.0 124.1117 16000.0 163.1479 65000.0 173.1324 18000.0 180.1745 100000.0 181.1587 16000.0 181.1781 26000.0 198.185 22000.0 END IONS BEGIN IONS SCANS=87 PEPMASS=304.2995 CHARGE=1 COLLISION_ENERGY=0.0 58.0651 180000.0 91.0542 600000.0 92.0574 26000.0 212.2372 390000.0 213.2406 32000.0 END IONS BEGIN IONS SCANS=88 PEPMASS=305.3029 CHARGE=1 COLLISION_ENERGY=0.0 58.0651 67000.0 91.0542 220000.0 92.0575 25000.0 212.2372 110000.0 213.2406 29000.0 END IONS BEGIN IONS SCANS=89 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=90 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=91 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=92 PEPMASS=251.185 CHARGE=1 COLLISION_ENERGY=0.0 59.0491 88000.0 END IONS BEGIN IONS SCANS=93 PEPMASS=124.0867 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=94 PEPMASS=216.0559 CHARGE=1 COLLISION_ENERGY=0.0 187.0581 25000.0 END IONS BEGIN IONS SCANS=95 PEPMASS=214.0497 CHARGE=1 COLLISION_ENERGY=0.0 49.8269 64000.0 51.4751 66000.0 54.4411 66000.0 75.4079 68000.0 92.6729 69000.0 111.7557 70000.0 119.3679 65000.0 123.9803 66000.0 155.3928 65000.0 177.6609 68000.0 186.0546 240000.0 END IONS BEGIN IONS SCANS=96 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=97 PEPMASS=215.0529 CHARGE=1 COLLISION_ENERGY=0.0 53.2038 30000.0 79.7292 37000.0 87.0543 33000.0 127.1997 33000.0 152.576 28000.0 186.0546 180000.0 187.057 42000.0 END IONS BEGIN IONS SCANS=98 PEPMASS=212.1472 CHARGE=1 COLLISION_ENERGY=0.0 70.0651 260000.0 71.0684 15000.0 86.0964 230000.0 87.0995 18000.0 98.06 67000.0 114.0913 46000.0 127.086 11000.0 138.1275 48000.0 154.0734 20000.0 155.1541 37000.0 183.149 110000.0 184.1526 24000.0 END IONS BEGIN IONS SCANS=99 PEPMASS=258.2788 CHARGE=1 COLLISION_ENERGY=0.0 57.0698 74000.0 58.0651 800000.0 62.06 130000.0 71.0855 42000.0 85.1012 31000.0 END IONS BEGIN IONS SCANS=100 PEPMASS=88.0755 CHARGE=1 COLLISION_ENERGY=0.0 43.0178 16000.0 46.0651 130000.0 END IONS BEGIN IONS SCANS=101 PEPMASS=180.1016 CHARGE=1 COLLISION_ENERGY=0.0 121.0647 310000.0 122.068 10000.0 138.0914 30000.0 END IONS BEGIN IONS SCANS=102 PEPMASS=259.2822 CHARGE=1 COLLISION_ENERGY=0.0 57.0698 22000.0 58.0651 330000.0 59.0684 16000.0 62.06 49000.0 71.0855 13000.0 END IONS BEGIN IONS SCANS=103 PEPMASS=211.1439 CHARGE=1 COLLISION_ENERGY=0.0 69.0698 10000.0 70.0651 430000.0 71.0684 11000.0 86.0964 590000.0 87.0995 12000.0 98.0599 170000.0 114.0912 76000.0 127.0859 15000.0 138.1276 95000.0 151.0755 62000.0 154.0738 44000.0 155.1542 75000.0 167.154 11000.0 183.1491 280000.0 END IONS BEGIN IONS SCANS=104 PEPMASS=367.2088 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=105 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=106 PEPMASS=164.0704 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=107 PEPMASS=245.1281 CHARGE=1 COLLISION_ENERGY=0.0 70.0651 130000.0 98.0598 11000.0 120.0807 120000.0 154.0735 50000.0 172.1123 18000.0 217.1336 42000.0 END IONS BEGIN IONS SCANS=108 PEPMASS=284.1391 CHARGE=1 COLLISION_ENERGY=0.0 130.0651 220000.0 131.0685 10000.0 132.0808 12000.0 170.0599 24000.0 END IONS BEGIN IONS SCANS=109 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=110 PEPMASS=230.2476 CHARGE=1 COLLISION_ENERGY=0.0 57.0698 140000.0 58.0651 2100000.0 59.0684 44000.0 62.06 330000.0 71.0854 84000.0 85.1012 59000.0 181.0951 10000.0 END IONS BEGIN IONS SCANS=111 PEPMASS=231.2509 CHARGE=1 COLLISION_ENERGY=0.0 57.0698 81000.0 58.0651 1100000.0 59.0684 72000.0 62.06 180000.0 71.0855 49000.0 85.1011 27000.0 END IONS BEGIN IONS SCANS=112 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=113 PEPMASS=245.1282 CHARGE=1 COLLISION_ENERGY=0.0 70.0651 130000.0 98.0601 10000.0 120.0807 110000.0 154.0737 53000.0 172.112 16000.0 217.1336 36000.0 END IONS BEGIN IONS SCANS=114 PEPMASS=197.1283 CHARGE=1 COLLISION_ENERGY=0.0 70.0651 85000.0 72.0807 130000.0 98.0601 39000.0 100.0755 16000.0 124.1119 30000.0 141.1386 25000.0 154.0733 13000.0 169.1335 92000.0 END IONS BEGIN IONS SCANS=115 PEPMASS=200.2371 CHARGE=1 COLLISION_ENERGY=0.0 57.0698 34000.0 71.0854 19000.0 END IONS BEGIN IONS SCANS=116 PEPMASS=402.3574 CHARGE=1 COLLISION_ENERGY=0.0 57.0699 22000.0 71.0855 16000.0 95.0856 11000.0 283.2631 1100000.0 284.2665 120000.0 END IONS BEGIN IONS SCANS=117 PEPMASS=144.0476 CHARGE=1 COLLISION_ENERGY=0.0 62.929 44000.0 103.9555 64000.0 113.0294 27000.0 121.9661 830000.0 END IONS BEGIN IONS SCANS=118 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=119 PEPMASS=284.1391 CHARGE=1 COLLISION_ENERGY=0.0 130.0651 140000.0 132.081 10000.0 END IONS BEGIN IONS SCANS=120 PEPMASS=110.0599 CHARGE=1 COLLISION_ENERGY=0.0 82.0649 10000.0 END IONS BEGIN IONS SCANS=121 PEPMASS=156.1017 CHARGE=1 COLLISION_ENERGY=0.0 43.0177 11000.0 56.0494 71000.0 93.0698 35000.0 95.0491 18000.0 95.0854 41000.0 96.0805 11000.0 97.0283 28000.0 110.0963 33000.0 111.0804 51000.0 113.0597 24000.0 121.0649 16000.0 END IONS BEGIN IONS SCANS=122 PEPMASS=590.2061 CHARGE=1 COLLISION_ENERGY=0.0 119.0854 61000.0 377.0553 17000.0 455.1009 17000.0 495.1331 22000.0 END IONS BEGIN IONS SCANS=123 PEPMASS=138.0911 CHARGE=1 COLLISION_ENERGY=0.0 110.0601 15000.0 END IONS BEGIN IONS SCANS=124 PEPMASS=96.0443 CHARGE=1 COLLISION_ENERGY=0.0 68.0492 19000.0 END IONS BEGIN IONS SCANS=125 PEPMASS=162.066 CHARGE=1 COLLISION_ENERGY=0.0 120.0555 250000.0 END IONS BEGIN IONS SCANS=126 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=127 PEPMASS=170.1173 CHARGE=1 COLLISION_ENERGY=0.0 70.065 20000.0 83.0855 19000.0 97.1012 25000.0 107.0854 20000.0 124.1114 10000.0 125.0965 21000.0 135.0806 10000.0 142.122 13000.0 END IONS BEGIN IONS SCANS=128 PEPMASS=210.1097 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=129 PEPMASS=146.9801 CHARGE=1 COLLISION_ENERGY=0.0 62.9292 10000.0 64.9272 180000.0 82.939 28000.0 105.9537 310000.0 121.966 69000.0 122.9702 60000.0 123.9644 2700000.0 END IONS BEGIN IONS SCANS=130 PEPMASS=197.1283 CHARGE=1 COLLISION_ENERGY=0.0 70.0651 180000.0 72.0808 49000.0 98.06 13000.0 100.0756 32000.0 124.112 28000.0 141.1385 22000.0 154.0734 11000.0 169.1336 88000.0 END IONS BEGIN IONS SCANS=131 PEPMASS=144.982 CHARGE=1 COLLISION_ENERGY=0.0 46.0034 11000.0 48.2126 11000.0 62.929 400000.0 62.933 20000.0 72.2246 11000.0 80.9407 70000.0 103.9555 350000.0 121.9661 6800000.0 122.97 100000.0 END IONS BEGIN IONS SCANS=132 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=133 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=134 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=135 PEPMASS=169.0758 CHARGE=1 COLLISION_ENERGY=0.0 44.0495 20000.0 70.0651 100000.0 98.06 40000.0 141.1022 14000.0 END IONS BEGIN IONS SCANS=136 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=137 PEPMASS=246.152 CHARGE=1 COLLISION_ENERGY=0.0 67.0541 130000.0 69.0698 150000.0 76.0215 110000.0 81.0698 250000.0 86.9899 110000.0 87.0262 220000.0 101.0419 100000.0 105.0005 83000.0 116.0527 73000.0 123.1168 66000.0 142.159 630000.0 143.1624 29000.0 154.1588 14000.0 157.1047 44000.0 166.1587 11000.0 183.1201 34000.0 187.0868 16000.0 200.1467 300000.0 END IONS BEGIN IONS SCANS=138 PEPMASS=195.1127 CHARGE=1 COLLISION_ENERGY=0.0 45.0334 15000.0 70.0651 220000.0 89.0596 18000.0 98.0599 75000.0 123.0914 14000.0 124.0955 12000.0 END IONS BEGIN IONS SCANS=139 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=140 PEPMASS=154.086 CHARGE=1 COLLISION_ENERGY=0.0 81.0697 26000.0 96.0442 11000.0 108.0807 27000.0 126.091 17000.0 END IONS BEGIN IONS SCANS=141 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=142 PEPMASS=110.0599 CHARGE=1 COLLISION_ENERGY=0.0 68.0494 85000.0 69.0448 13000.0 82.0648 12000.0 END IONS BEGIN IONS SCANS=143 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=144 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=145 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=146 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=147 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=148 PEPMASS=243.1489 CHARGE=1 COLLISION_ENERGY=0.0 93.0698 29000.0 121.0647 1000000.0 122.068 50000.0 123.0915 210000.0 END IONS BEGIN IONS SCANS=149 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=150 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=151 PEPMASS=126.0548 CHARGE=1 COLLISION_ENERGY=0.0 82.0653 11000.0 149.0706 100000.0 END IONS BEGIN IONS SCANS=152 PEPMASS=100.0755 CHARGE=1 COLLISION_ENERGY=0.0 56.0494 160000.0 72.0808 15000.0 END IONS BEGIN IONS SCANS=153 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=154 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=155 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=156 PEPMASS=283.122 CHARGE=1 COLLISION_ENERGY=0.0 59.0604 12000.0 81.0447 130000.0 89.0596 190000.0 117.0368 140000.0 122.0712 620000.0 123.0791 880000.0 133.0859 68000.0 139.0977 820000.0 144.0476 120000.0 150.0665 14000.0 154.0435 150000.0 163.0981 18000.0 164.1059 20000.0 167.064 17000.0 167.0926 160000.0 205.12 10000.0 208.0912 20000.0 225.1172 21000.0 235.1031 14000.0 238.1004 49000.0 253.1118 200000.0 254.1157 11000.0 255.1276 39000.0 END IONS BEGIN IONS SCANS=157 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=158 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=159 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=160 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=161 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=162 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=163 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=164 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=165 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=166 PEPMASS=298.0965 CHARGE=1 COLLISION_ENERGY=0.0 61.0066 21000.0 61.0106 410000.0 69.0335 30000.0 75.0263 150000.0 97.0283 190000.0 103.0212 65000.0 115.0393 14000.0 136.0618 7100000.0 137.0661 210000.0 145.0316 290000.0 146.0339 11000.0 163.0422 180000.0 END IONS BEGIN IONS SCANS=167 PEPMASS=227.1751 CHARGE=1 COLLISION_ENERGY=0.0 55.0542 27000.0 83.0854 41000.0 100.112 920000.0 101.1153 33000.0 105.0698 38000.0 117.138 12000.0 END IONS BEGIN IONS SCANS=168 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=169 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=170 PEPMASS=239.1486 CHARGE=1 COLLISION_ENERGY=0.0 89.0596 89000.0 123.117 10000.0 133.0858 28000.0 END IONS BEGIN IONS SCANS=171 PEPMASS=332.2081 CHARGE=1 COLLISION_ENERGY=0.0 76.0214 69000.0 81.0698 87000.0 87.0262 68000.0 93.0698 53000.0 95.0855 110000.0 97.0105 220000.0 107.0855 58000.0 109.1012 57000.0 113.042 39000.0 121.1008 36000.0 132.0113 91000.0 137.0417 120000.0 151.0576 39000.0 163.1481 35000.0 173.1322 76000.0 174.1353 16000.0 175.1479 24000.0 191.1428 47000.0 210.1852 1300000.0 211.1887 320000.0 225.1305 96000.0 234.185 34000.0 240.178 48000.0 242.1566 25000.0 251.1462 220000.0 268.1729 660000.0 269.1767 230000.0 285.1995 94000.0 286.1815 280000.0 287.1863 110000.0 END IONS BEGIN IONS SCANS=172 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=173 PEPMASS=331.2046 CHARGE=1 COLLISION_ENERGY=0.0 76.0214 120000.0 81.0698 150000.0 83.0855 84000.0 87.0263 92000.0 95.0854 170000.0 97.0106 390000.0 107.0857 98000.0 109.1011 88000.0 122.0268 59000.0 131.0849 64000.0 132.0114 150000.0 137.0419 180000.0 151.0574 68000.0 163.1479 62000.0 173.1316 130000.0 175.1475 69000.0 191.1428 83000.0 193.1585 58000.0 210.1851 2900000.0 211.1889 180000.0 225.1309 200000.0 227.1456 58000.0 234.1854 57000.0 240.1771 99000.0 251.1463 530000.0 268.1728 1400000.0 269.1783 120000.0 285.1993 280000.0 286.183 620000.0 287.1866 62000.0 354.8892 13000.0 END IONS BEGIN IONS SCANS=174 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=175 PEPMASS=353.1864 CHARGE=1 COLLISION_ENERGY=0.0 249.1938 14000.0 275.2092 750000.0 276.2124 83000.0 END IONS BEGIN IONS SCANS=176 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=177 PEPMASS=124.0867 CHARGE=1 COLLISION_ENERGY=0.0 80.0494 98000.0 96.0444 29000.0 END IONS BEGIN IONS SCANS=178 PEPMASS=123.0552 CHARGE=1 COLLISION_ENERGY=0.0 49.6044 22000.0 50.981 22000.0 77.5293 23000.0 78.0336 25000.0 79.0421 28000.0 80.0494 350000.0 96.0443 88000.0 END IONS BEGIN IONS SCANS=179 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=180 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=181 PEPMASS=224.0737 CHARGE=1 COLLISION_ENERGY=0.0 58.9949 12000.0 76.0214 15000.0 86.9899 16000.0 105.0003 15000.0 119.0729 17000.0 120.0807 160000.0 135.0262 330000.0 136.0297 16000.0 144.0806 16000.0 161.0421 17000.0 178.0684 33000.0 END IONS BEGIN IONS SCANS=182 PEPMASS=195.1225 CHARGE=1 COLLISION_ENERGY=0.0 45.0334 15000.0 70.0651 220000.0 89.0596 18000.0 98.0599 75000.0 123.0914 14000.0 124.0955 12000.0 END IONS BEGIN IONS SCANS=183 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=184 PEPMASS=210.1097 CHARGE=1 COLLISION_ENERGY=0.0 141.1018 10000.0 163.1233 11000.0 END IONS BEGIN IONS SCANS=185 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=186 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=187 PEPMASS=283.122 CHARGE=1 COLLISION_ENERGY=0.0 81.0446 12000.0 89.0596 24000.0 117.0368 15000.0 122.071 64000.0 123.079 82000.0 139.0976 69000.0 144.0473 17000.0 154.043 16000.0 167.0924 15000.0 253.1118 27000.0 END IONS BEGIN IONS SCANS=188 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=189 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=190 PEPMASS=195.1129 CHARGE=1 COLLISION_ENERGY=0.0 45.0335 54000.0 89.0596 71000.0 133.086 13000.0 149.1072 85000.0 END IONS BEGIN IONS SCANS=191 PEPMASS=249.1344 CHARGE=1 COLLISION_ENERGY=0.0 219.1239 66000.0 END IONS BEGIN IONS SCANS=192 PEPMASS=105.0697 CHARGE=1 COLLISION_ENERGY=0.0 79.0541 54000.0 END IONS BEGIN IONS SCANS=193 PEPMASS=393.2855 CHARGE=1 COLLISION_ENERGY=0.0 302.1865 14000.0 END IONS BEGIN IONS SCANS=194 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=195 PEPMASS=124.0867 CHARGE=1 COLLISION_ENERGY=0.0 42.0338 35000.0 80.0493 75000.0 83.06 13000.0 96.0442 24000.0 END IONS BEGIN IONS SCANS=196 PEPMASS=393.2857 CHARGE=1 COLLISION_ENERGY=0.0 302.1865 12000.0 END IONS BEGIN IONS SCANS=197 PEPMASS=151.0963 CHARGE=1 COLLISION_ENERGY=0.0 45.0334 19000.0 89.0596 11000.0 END IONS BEGIN IONS SCANS=198 PEPMASS=348.1438 CHARGE=1 COLLISION_ENERGY=0.0 249.0915 11000.0 267.102 40000.0 295.0966 92000.0 296.1004 12000.0 END IONS BEGIN IONS SCANS=199 PEPMASS=375.0812 CHARGE=1 COLLISION_ENERGY=0.0 57.0699 15000.0 292.202 10000.0 302.187 24000.0 331.0917 72000.0 332.0951 10000.0 END IONS BEGIN IONS SCANS=200 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=201 PEPMASS=353.0992 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=202 PEPMASS=337.0365 CHARGE=1 COLLISION_ENERGY=0.0 175.0017 15000.0 END IONS BEGIN IONS SCANS=203 PEPMASS=321.0626 CHARGE=1 COLLISION_ENERGY=0.0 159.0276 530000.0 160.0314 18000.0 END IONS BEGIN IONS SCANS=204 PEPMASS=298.0966 CHARGE=1 COLLISION_ENERGY=0.0 61.0106 21000.0 75.0261 11000.0 97.0283 10000.0 136.0617 400000.0 145.032 14000.0 END IONS BEGIN IONS SCANS=205 PEPMASS=190.0895 CHARGE=1 COLLISION_ENERGY=0.0 58.9949 45000.0 67.0542 14000.0 69.0698 39000.0 76.0213 18000.0 86.0963 88000.0 86.9898 31000.0 101.0418 110000.0 105.0003 25000.0 144.084 40000.0 END IONS BEGIN IONS SCANS=206 PEPMASS=144.982 CHARGE=1 COLLISION_ENERGY=0.0 62.929 20000.0 103.9555 27000.0 121.966 350000.0 END IONS BEGIN IONS SCANS=207 PEPMASS=190.0894 CHARGE=1 COLLISION_ENERGY=0.0 58.995 21000.0 69.0698 19000.0 76.0216 10000.0 86.0963 51000.0 86.9898 14000.0 101.0419 55000.0 105.0005 13000.0 144.0842 16000.0 END IONS BEGIN IONS SCANS=208 PEPMASS=146.081 CHARGE=1 COLLISION_ENERGY=0.0 72.0807 12000.0 86.06 100000.0 86.9897 16000.0 100.0214 110000.0 105.0004 32000.0 121.9659 24000.0 123.9642 51000.0 END IONS BEGIN IONS SCANS=209 PEPMASS=267.1449 CHARGE=1 COLLISION_ENERGY=0.0 81.0446 37000.0 118.0861 11000.0 122.0712 200000.0 123.0792 50000.0 124.0868 38000.0 139.0978 33000.0 209.1398 59000.0 221.1389 11000.0 237.1345 100000.0 239.1501 110000.0 END IONS BEGIN IONS SCANS=210 PEPMASS=152.0704 CHARGE=1 COLLISION_ENERGY=0.0 96.0805 15000.0 124.0756 67000.0 END IONS BEGIN IONS SCANS=211 PEPMASS=170.0811 CHARGE=1 COLLISION_ENERGY=0.0 124.0755 62000.0 134.0598 740000.0 135.0637 35000.0 END IONS BEGIN IONS SCANS=212 PEPMASS=171.0843 CHARGE=1 COLLISION_ENERGY=0.0 46.0653 11000.0 89.0708 22000.0 124.0751 29000.0 134.0598 380000.0 135.0634 64000.0 END IONS BEGIN IONS SCANS=213 PEPMASS=331.2046 CHARGE=1 COLLISION_ENERGY=0.0 97.0106 17000.0 210.1853 120000.0 251.1461 19000.0 268.1732 58000.0 286.1831 36000.0 END IONS BEGIN IONS SCANS=214 PEPMASS=212.1028 CHARGE=1 COLLISION_ENERGY=0.0 125.071 31000.0 153.0653 12000.0 END IONS BEGIN IONS SCANS=215 PEPMASS=176.0739 CHARGE=1 COLLISION_ENERGY=0.0 55.0543 11000.0 58.995 29000.0 72.0808 230000.0 76.0215 18000.0 86.9898 43000.0 87.0262 120000.0 105.0004 36000.0 113.0418 28000.0 130.0684 73000.0 END IONS BEGIN IONS SCANS=216 PEPMASS=395.1961 CHARGE=1 COLLISION_ENERGY=0.0 244.0969 21000.0 282.1122 13000.0 324.1228 47000.0 350.1373 16000.0 367.1655 43000.0 END IONS BEGIN IONS SCANS=217 PEPMASS=171.0762 CHARGE=1 COLLISION_ENERGY=0.0 46.0652 18000.0 72.0444 16000.0 89.0709 24000.0 125.0709 75000.0 134.0599 32000.0 END IONS BEGIN IONS SCANS=218 PEPMASS=136.0617 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=219 PEPMASS=162.9976 CHARGE=1 COLLISION_ENERGY=0.0 62.9817 61000.0 END IONS BEGIN IONS SCANS=220 PEPMASS=176.0738 CHARGE=1 COLLISION_ENERGY=0.0 58.9949 19000.0 72.0807 190000.0 76.0215 16000.0 86.9898 33000.0 87.0262 67000.0 105.0004 27000.0 113.0418 25000.0 130.0684 59000.0 END IONS BEGIN IONS SCANS=221 PEPMASS=212.1027 CHARGE=1 COLLISION_ENERGY=0.0 125.0708 210000.0 153.0657 110000.0 END IONS BEGIN IONS SCANS=222 PEPMASS=234.0847 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=223 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=224 PEPMASS=251.15 CHARGE=1 COLLISION_ENERGY=0.0 86.0964 30000.0 110.0712 160000.0 166.061 54000.0 178.1338 58000.0 223.1552 48000.0 END IONS BEGIN IONS SCANS=225 PEPMASS=170.081 CHARGE=1 COLLISION_ENERGY=0.0 89.0707 10000.0 125.0708 64000.0 134.0599 62000.0 END IONS BEGIN IONS SCANS=226 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=227 PEPMASS=242.0997 CHARGE=1 COLLISION_ENERGY=0.0 112.0367 49000.0 153.0521 51000.0 END IONS BEGIN IONS SCANS=228 PEPMASS=220.1178 CHARGE=1 COLLISION_ENERGY=0.0 69.0698 44000.0 72.0443 110000.0 85.0647 87000.0 90.0549 1100000.0 95.049 48000.0 98.0236 120000.0 100.0392 29000.0 103.0752 120000.0 113.0595 32000.0 116.0341 200000.0 124.0756 160000.0 142.0863 82000.0 156.1022 14000.0 160.097 37000.0 166.0865 25000.0 174.112 33000.0 184.0967 280000.0 185.1003 16000.0 END IONS BEGIN IONS SCANS=229 PEPMASS=221.1211 CHARGE=1 COLLISION_ENERGY=0.0 69.0697 25000.0 72.0443 68000.0 85.0647 51000.0 90.0549 650000.0 91.0582 38000.0 98.0235 75000.0 100.039 17000.0 103.0752 66000.0 113.0597 16000.0 116.0341 110000.0 124.0755 80000.0 142.0861 56000.0 160.0965 24000.0 166.0864 18000.0 174.1124 19000.0 184.0967 140000.0 185.0999 25000.0 END IONS BEGIN IONS SCANS=230 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=231 PEPMASS=137.0457 CHARGE=1 COLLISION_ENERGY=0.0 54.1057 10000.0 94.0396 19000.0 95.1366 12000.0 110.0351 38000.0 END IONS BEGIN IONS SCANS=232 PEPMASS=167.0925 CHARGE=1 COLLISION_ENERGY=0.0 81.0447 64000.0 122.0711 110000.0 139.0977 150000.0 END IONS BEGIN IONS SCANS=233 PEPMASS=159.0276 CHARGE=1 COLLISION_ENERGY=0.0 112.1122 15000.0 END IONS BEGIN IONS SCANS=234 PEPMASS=175.0015 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=235 PEPMASS=83.0602 CHARGE=1 COLLISION_ENERGY=0.0 42.0338 13000.0 END IONS BEGIN IONS SCANS=236 PEPMASS=159.0275 CHARGE=1 COLLISION_ENERGY=0.0 112.112 15000.0 END IONS BEGIN IONS SCANS=237 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=238 PEPMASS=269.1075 CHARGE=1 COLLISION_ENERGY=0.0 55.0177 80000.0 57.0335 190000.0 69.0334 41000.0 73.0283 78000.0 85.0285 130000.0 97.0283 45000.0 103.039 35000.0 115.0389 140000.0 119.0359 15000.0 133.0491 160000.0 136.062 16000000.0 137.0663 1500000.0 178.0727 22000.0 239.5719 12000.0 END IONS BEGIN IONS SCANS=239 PEPMASS=136.0616 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=240 PEPMASS=268.1039 CHARGE=1 COLLISION_ENERGY=0.0 55.0178 140000.0 57.0335 250000.0 69.0334 68000.0 73.0285 160000.0 85.0284 210000.0 97.0285 80000.0 101.4125 42000.0 115.0392 210000.0 133.0492 320000.0 136.0618 30000000.0 137.066 730000.0 178.7204 39000.0 186.6429 38000.0 237.0146 37000.0 END IONS BEGIN IONS SCANS=241 PEPMASS=124.0867 CHARGE=1 COLLISION_ENERGY=0.0 42.0338 10000.0 END IONS BEGIN IONS SCANS=242 PEPMASS=206.0455 CHARGE=1 COLLISION_ENERGY=0.0 86.0965 12000.0 146.9722 36000.0 END IONS BEGIN IONS SCANS=243 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=244 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=245 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=246 PEPMASS=169.0581 CHARGE=1 COLLISION_ENERGY=0.0 134.0601 14000.0 END IONS BEGIN IONS SCANS=247 PEPMASS=147.0762 CHARGE=1 COLLISION_ENERGY=0.0 72.0806 15000.0 86.0599 83000.0 100.0216 21000.0 123.9642 48000.0 END IONS BEGIN IONS SCANS=248 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=249 PEPMASS=251.15 CHARGE=1 COLLISION_ENERGY=0.0 86.0964 16000.0 110.0712 84000.0 166.0611 34000.0 178.1336 28000.0 223.1553 22000.0 END IONS BEGIN IONS SCANS=250 PEPMASS=124.0867 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=251 PEPMASS=166.0721 CHARGE=1 COLLISION_ENERGY=0.0 120.0808 14000.0 END IONS BEGIN IONS SCANS=252 PEPMASS=86.0963 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=253 PEPMASS=162.0582 CHARGE=1 COLLISION_ENERGY=0.0 58.0651 260000.0 58.995 32000.0 73.0106 39000.0 76.0216 20000.0 86.9899 53000.0 99.0262 49000.0 105.0004 41000.0 116.0528 90000.0 END IONS BEGIN IONS SCANS=254 PEPMASS=158.0811 CHARGE=1 COLLISION_ENERGY=0.0 44.0494 200000.0 84.0807 11000.0 112.0756 180000.0 112.1118 18000.0 114.0545 13000.0 END IONS BEGIN IONS SCANS=255 PEPMASS=124.0393 CHARGE=1 COLLISION_ENERGY=0.0 80.0494 57000.0 96.0444 26000.0 END IONS BEGIN IONS SCANS=256 PEPMASS=131.1177 CHARGE=1 COLLISION_ENERGY=0.0 86.0964 230000.0 END IONS BEGIN IONS SCANS=257 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=258 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=259 PEPMASS=147.0301 CHARGE=1 COLLISION_ENERGY=0.0 42.0338 68000.0 58.9949 1500000.0 60.9909 52000.0 76.0214 80000.0 86.9898 2400000.0 87.9936 150000.0 88.9858 120000.0 100.0216 15000000.0 101.0253 1100000.0 102.0172 940000.0 105.0004 4800000.0 END IONS BEGIN IONS SCANS=260 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=261 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=262 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=263 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=264 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=265 PEPMASS=237.1343 CHARGE=1 COLLISION_ENERGY=0.0 72.0807 21000.0 110.0712 130000.0 164.1181 40000.0 166.0611 55000.0 209.1397 42000.0 END IONS BEGIN IONS SCANS=266 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=267 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=268 PEPMASS=104.1069 CHARGE=1 COLLISION_ENERGY=0.0 40.7212 32000.0 45.0335 150000.0 58.0657 120000.0 60.0807 670000.0 65.5864 42000.0 75.4193 34000.0 END IONS BEGIN IONS SCANS=269 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=270 PEPMASS=105.1102 CHARGE=1 COLLISION_ENERGY=0.0 45.0334 120000.0 58.0657 64000.0 59.0727 24000.0 60.0807 610000.0 61.0839 25000.0 END IONS BEGIN IONS SCANS=271 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=272 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=273 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=274 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=275 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=276 PEPMASS=356.9922 CHARGE=1 COLLISION_ENERGY=0.0 144.0026 11000.0 189.9909 2500000.0 190.9936 95000.0 END IONS BEGIN IONS SCANS=277 PEPMASS=257.1006 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=278 PEPMASS=235.1188 CHARGE=1 COLLISION_ENERGY=0.0 70.065 270000.0 82.0524 56000.0 83.0601 14000.0 95.0606 10000.0 110.0711 840000.0 111.0742 26000.0 121.039 21000.0 123.0553 13000.0 138.0661 68000.0 149.0703 13000.0 162.1024 190000.0 166.061 160000.0 190.0975 22000.0 207.1239 190000.0 END IONS BEGIN IONS SCANS=279 PEPMASS=104.1069 CHARGE=1 COLLISION_ENERGY=0.0 45.0334 59000.0 58.0656 50000.0 59.073 11000.0 60.0807 350000.0 END IONS BEGIN IONS SCANS=280 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=281 PEPMASS=146.0269 CHARGE=1 COLLISION_ENERGY=0.0 42.0338 150000.0 56.1307 76000.0 58.9949 2100000.0 65.3649 86000.0 86.9898 4500000.0 89.0682 83000.0 95.5109 100000.0 100.0215 28000000.0 101.0252 870000.0 105.0004 9800000.0 118.0318 200000.0 END IONS BEGIN IONS SCANS=282 PEPMASS=189.9907 CHARGE=1 COLLISION_ENERGY=0.0 74.0982 10000.0 84.6588 10000.0 93.7871 12000.0 128.6721 11000.0 144.0032 27000.0 148.9639 15000.0 164.4669 10000.0 END IONS BEGIN IONS SCANS=283 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=284 PEPMASS=104.1069 CHARGE=1 COLLISION_ENERGY=0.0 41.9628 32000.0 45.0335 190000.0 58.0659 97000.0 60.0807 800000.0 60.0843 59000.0 61.2605 31000.0 END IONS BEGIN IONS SCANS=285 PEPMASS=105.1102 CHARGE=1 COLLISION_ENERGY=0.0 45.0334 100000.0 58.0656 67000.0 59.0726 15000.0 60.0807 530000.0 61.0841 19000.0 END IONS BEGIN IONS SCANS=286 PEPMASS=270.1921 CHARGE=1 COLLISION_ENERGY=0.0 60.0556 13000.0 98.0598 31000.0 135.0031 14000.0 141.1028 13000.0 182.1647 13000.0 183.149 140000.0 210.1594 19000.0 211.1439 560000.0 212.1474 33000.0 END IONS BEGIN IONS SCANS=287 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=288 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=289 PEPMASS=307.0436 CHARGE=1 COLLISION_ENERGY=0.0 175.0016 230000.0 END IONS BEGIN IONS SCANS=290 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=291 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=292 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=293 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=294 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=295 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=296 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=297 PEPMASS=291.0697 CHARGE=1 COLLISION_ENERGY=0.0 100.632 20000.0 159.0278 14000000.0 160.0314 380000.0 END IONS BEGIN IONS SCANS=298 PEPMASS=257.1006 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=299 PEPMASS=270.1921 CHARGE=1 COLLISION_ENERGY=0.0 183.1492 35000.0 211.1439 140000.0 END IONS BEGIN IONS SCANS=300 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=301 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=302 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=303 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=304 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=305 PEPMASS=235.1187 CHARGE=1 COLLISION_ENERGY=0.0 70.0651 230000.0 82.0525 45000.0 83.0603 12000.0 95.0602 11000.0 110.0712 730000.0 111.075 14000.0 123.0556 16000.0 138.0662 50000.0 162.1025 180000.0 166.0611 160000.0 190.0976 27000.0 207.1238 160000.0 208.127 11000.0 END IONS BEGIN IONS SCANS=306 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=307 PEPMASS=146.0269 CHARGE=1 COLLISION_ENERGY=0.0 58.995 120000.0 86.9898 240000.0 100.0215 1600000.0 101.0251 39000.0 105.0004 540000.0 121.966 25000.0 END IONS BEGIN IONS SCANS=308 PEPMASS=314.0914 CHARGE=1 COLLISION_ENERGY=0.0 97.0283 400000.0 136.0618 730000.0 137.0649 16000.0 143.0162 30000.0 164.0566 68000.0 178.0724 33000.0 179.0373 19000.0 248.0784 11000.0 257.051 61000.0 END IONS BEGIN IONS SCANS=309 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=310 PEPMASS=269.0878 CHARGE=1 COLLISION_ENERGY=0.0 136.0618 93000.0 137.0458 1300000.0 138.0501 37000.0 183.1491 46000.0 211.1441 180000.0 END IONS BEGIN IONS SCANS=311 PEPMASS=270.1921 CHARGE=1 COLLISION_ENERGY=0.0 60.0556 14000.0 86.0965 11000.0 98.0601 25000.0 141.1021 12000.0 182.165 13000.0 183.1491 120000.0 210.1598 16000.0 211.144 490000.0 212.1474 36000.0 END IONS BEGIN IONS SCANS=312 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=313 PEPMASS=137.0456 CHARGE=1 COLLISION_ENERGY=0.0 60.1885 51000.0 70.8801 55000.0 77.8336 52000.0 94.0399 160000.0 110.0347 300000.0 END IONS BEGIN IONS SCANS=314 PEPMASS=268.1037 CHARGE=1 COLLISION_ENERGY=0.0 136.0617 330000.0 137.0462 19000.0 END IONS BEGIN IONS SCANS=315 PEPMASS=163.0534 CHARGE=1 COLLISION_ENERGY=0.0 42.0338 24000.0 58.9949 27000.0 59.0603 160000.0 76.0215 76000.0 86.9898 60000.0 100.0214 78000.0 105.0003 100000.0 117.0479 84000.0 122.0268 62000.0 129.0662 17000.0 END IONS BEGIN IONS SCANS=316 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=317 PEPMASS=152.0565 CHARGE=1 COLLISION_ENERGY=0.0 59.3232 11000.0 109.0507 45000.0 110.0348 200000.0 110.0439 19000.0 128.0454 69000.0 END IONS BEGIN IONS SCANS=318 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=319 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=320 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=321 PEPMASS=148.0426 CHARGE=1 COLLISION_ENERGY=0.0 44.0494 2100000.0 44.1706 12000.0 45.0527 37000.0 46.6693 12000.0 55.0178 97000.0 58.9949 440000.0 76.0215 430000.0 85.0105 850000.0 86.9898 750000.0 88.0391 83000.0 102.0371 1500000.0 105.0003 690000.0 END IONS BEGIN IONS SCANS=322 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=323 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=324 PEPMASS=213.0867 CHARGE=1 COLLISION_ENERGY=0.0 70.0652 11000.0 125.0709 330000.0 153.0659 110000.0 END IONS BEGIN IONS SCANS=325 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=326 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=327 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=328 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=329 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=330 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=331 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=332 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=333 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=334 PEPMASS=245.1857 CHARGE=1 COLLISION_ENERGY=0.0 69.0697 17000.0 86.0964 470000.0 87.0998 13000.0 132.1017 14000.0 END IONS BEGIN IONS SCANS=335 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=336 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=337 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=338 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=339 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=340 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=341 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=342 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=343 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=344 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=345 PEPMASS=134.1174 CHARGE=1 COLLISION_ENERGY=0.0 45.0334 14000.0 72.0807 86000.0 86.0963 40000.0 90.0912 190000.0 END IONS BEGIN IONS SCANS=346 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=347 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=348 PEPMASS=163.0534 CHARGE=1 COLLISION_ENERGY=0.0 42.0338 24000.0 44.0494 11000.0 58.995 23000.0 59.0603 150000.0 76.0215 76000.0 86.9897 57000.0 100.0214 60000.0 105.0004 78000.0 117.048 72000.0 122.0269 55000.0 129.0659 13000.0 END IONS BEGIN IONS SCANS=349 PEPMASS=137.0456 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=350 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=351 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=352 PEPMASS=268.1038 CHARGE=1 COLLISION_ENERGY=0.0 136.0618 320000.0 END IONS BEGIN IONS SCANS=353 PEPMASS=229.118 CHARGE=1 COLLISION_ENERGY=0.0 72.0808 140000.0 84.0444 140000.0 118.0862 120000.0 138.0912 13000.0 155.1183 12000.0 183.1128 170000.0 184.1158 11000.0 END IONS BEGIN IONS SCANS=354 PEPMASS=245.1857 CHARGE=1 COLLISION_ENERGY=0.0 69.0699 15000.0 86.0964 440000.0 132.1019 16000.0 END IONS BEGIN IONS SCANS=355 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=356 PEPMASS=200.1028 CHARGE=1 COLLISION_ENERGY=0.0 56.0494 16000.0 74.0964 12000.0 87.0439 41000.0 114.066 24000.0 122.0602 12000.0 136.0756 17000.0 137.0706 11000.0 140.0703 26000.0 154.0853 42000.0 154.0978 160000.0 END IONS BEGIN IONS SCANS=357 PEPMASS=268.1038 CHARGE=1 COLLISION_ENERGY=0.0 136.0618 210000.0 END IONS BEGIN IONS SCANS=358 PEPMASS=270.1922 CHARGE=1 COLLISION_ENERGY=0.0 98.0597 10000.0 183.1491 37000.0 211.1439 170000.0 212.1474 11000.0 END IONS BEGIN IONS SCANS=359 PEPMASS=189.9908 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=360 PEPMASS=134.1174 CHARGE=1 COLLISION_ENERGY=0.0 72.0807 88000.0 86.0963 39000.0 90.0913 150000.0 END IONS BEGIN IONS SCANS=361 PEPMASS=242.1861 CHARGE=1 COLLISION_ENERGY=0.0 84.0807 21000.0 86.0964 15000.0 112.0756 10000.0 141.1023 30000.0 169.0969 10000.0 197.1647 32000.0 END IONS BEGIN IONS SCANS=362 PEPMASS=304.1765 CHARGE=1 COLLISION_ENERGY=0.0 98.0599 14000.0 120.0809 10000.0 217.1334 59000.0 244.145 14000.0 245.1284 240000.0 246.1314 18000.0 END IONS BEGIN IONS SCANS=363 PEPMASS=172.1329 CHARGE=1 COLLISION_ENERGY=0.0 112.112 430000.0 113.1157 14000.0 END IONS BEGIN IONS SCANS=364 PEPMASS=189.9906 CHARGE=1 COLLISION_ENERGY=0.0 119.0686 13000.0 144.1019 13000.0 145.0844 14000.0 146.06 13000.0 147.0634 57000.0 END IONS BEGIN IONS SCANS=365 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=366 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=367 PEPMASS=159.0914 CHARGE=1 COLLISION_ENERGY=0.0 112.1118 19000.0 114.0369 12000.0 130.065 42000.0 132.0807 190000.0 END IONS BEGIN IONS SCANS=368 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=369 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=370 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=371 PEPMASS=120.0806 CHARGE=1 COLLISION_ENERGY=0.0 42.0338 20000.0 77.039 12000.0 79.0542 19000.0 91.054 80000.0 93.0697 350000.0 94.0732 21000.0 END IONS BEGIN IONS SCANS=372 PEPMASS=167.0894 CHARGE=1 COLLISION_ENERGY=0.0 77.0394 12000.0 79.0542 16000.0 91.0547 17000.0 93.0696 27000.0 103.054 230000.0 107.0489 180000.0 120.0807 8500000.0 121.0842 1200000.0 131.049 300000.0 END IONS BEGIN IONS SCANS=373 PEPMASS=266.0744 CHARGE=1 COLLISION_ENERGY=0.0 72.0808 110000.0 134.0324 2100000.0 135.0368 34000.0 155.0326 27000.0 166.086 21000.0 END IONS BEGIN IONS SCANS=374 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=375 PEPMASS=249.0607 CHARGE=1 COLLISION_ENERGY=0.0 117.9877 12000.0 118.9956 15000.0 END IONS BEGIN IONS SCANS=376 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=377 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=378 PEPMASS=205.097 CHARGE=1 COLLISION_ENERGY=0.0 118.0649 81000.0 132.0806 85000.0 144.0806 230000.0 145.0853 19000.0 146.0599 1200000.0 147.0634 62000.0 159.0916 150000.0 160.0761 11000.0 170.0599 69000.0 END IONS BEGIN IONS SCANS=379 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=380 PEPMASS=188.0704 CHARGE=1 COLLISION_ENERGY=0.0 45.822 12000.0 50.6267 11000.0 58.9851 13000.0 59.9043 13000.0 82.3246 12000.0 91.055 18000.0 118.065 790000.0 142.0648 120000.0 143.0728 110000.0 144.0807 920000.0 146.06 4600000.0 147.0635 190000.0 160.076 38000.0 END IONS BEGIN IONS SCANS=381 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=382 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=383 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=384 PEPMASS=188.0704 CHARGE=1 COLLISION_ENERGY=0.0 118.0649 590000.0 142.0649 79000.0 143.0728 83000.0 144.0806 640000.0 146.06 2900000.0 147.0634 120000.0 160.0755 34000.0 END IONS BEGIN IONS SCANS=385 PEPMASS=266.0744 CHARGE=1 COLLISION_ENERGY=0.0 72.0807 170000.0 120.0806 22000.0 122.0711 25000.0 134.0324 860000.0 135.0363 17000.0 166.086 27000.0 END IONS BEGIN IONS SCANS=386 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=387 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=388 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=389 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=390 PEPMASS=166.0861 CHARGE=1 COLLISION_ENERGY=0.0 40.3284 28000.0 40.447 24000.0 40.5267 25000.0 40.9589 27000.0 41.6186 25000.0 56.073 26000.0 67.9322 31000.0 91.0546 32000.0 103.054 490000.0 107.0489 430000.0 120.0807 23000000.0 121.0842 1300000.0 131.0489 890000.0 END IONS BEGIN IONS SCANS=391 PEPMASS=146.0268 CHARGE=1 COLLISION_ENERGY=0.0 58.9949 120000.0 72.0807 12000.0 76.0214 11000.0 86.9899 220000.0 100.0215 1400000.0 101.0253 35000.0 105.0004 470000.0 121.9659 35000.0 END IONS BEGIN IONS SCANS=392 PEPMASS=120.0806 CHARGE=1 COLLISION_ENERGY=0.0 42.0337 25000.0 46.5204 13000.0 56.8822 13000.0 77.039 20000.0 79.0542 17000.0 91.0541 110000.0 93.0697 480000.0 94.0729 18000.0 END IONS BEGIN IONS SCANS=393 PEPMASS=176.1133 CHARGE=1 COLLISION_ENERGY=0.0 100.0934 10000.0 111.081 110000.0 114.0725 84000.0 128.1008 82000.0 129.1047 4600000.0 140.0794 140000.0 END IONS BEGIN IONS SCANS=394 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=395 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=396 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=397 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=398 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=399 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=400 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=401 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=402 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=403 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=404 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=405 PEPMASS=124.0867 CHARGE=1 COLLISION_ENERGY=0.0 42.0338 97000.0 83.0603 23000.0 END IONS BEGIN IONS SCANS=406 PEPMASS=242.186 CHARGE=1 COLLISION_ENERGY=0.0 84.0807 29000.0 86.0964 24000.0 112.0756 17000.0 141.1022 61000.0 197.1648 52000.0 END IONS BEGIN IONS SCANS=407 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=408 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=409 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=410 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=411 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=412 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=413 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=414 PEPMASS=167.0894 CHARGE=1 COLLISION_ENERGY=0.0 79.0543 14000.0 93.0696 15000.0 103.0541 140000.0 107.049 100000.0 120.0808 5200000.0 121.0842 1000000.0 131.049 180000.0 END IONS BEGIN IONS SCANS=415 PEPMASS=188.0704 CHARGE=1 COLLISION_ENERGY=0.0 118.065 340000.0 142.0652 40000.0 143.0729 53000.0 144.0806 380000.0 146.0599 1800000.0 147.0636 78000.0 160.0762 22000.0 END IONS BEGIN IONS SCANS=416 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=417 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=418 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=419 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=420 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=421 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=422 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=423 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=424 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=425 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=426 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=427 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=428 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=429 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=430 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=431 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=432 PEPMASS=132.1018 CHARGE=1 COLLISION_ENERGY=0.0 43.0548 240000.0 44.0495 590000.0 45.1734 66000.0 51.1158 62000.0 56.0499 73000.0 86.0964 81000000.0 87.0995 840000.0 END IONS BEGIN IONS SCANS=433 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=434 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=435 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=436 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=437 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=438 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=439 PEPMASS=134.1084 CHARGE=1 COLLISION_ENERGY=0.0 41.0388 54000.0 43.0422 37000.0 43.0541 270000.0 44.0495 830000.0 44.0518 60000.0 47.2298 31000.0 56.0498 43000.0 69.0698 85000.0 86.0964 54000000.0 87.0937 440000.0 87.0996 8200000.0 88.1027 150000.0 END IONS BEGIN IONS SCANS=440 PEPMASS=133.1051 CHARGE=1 COLLISION_ENERGY=0.0 42.4863 190000.0 43.0544 400000.0 44.0495 1400000.0 47.964 180000.0 56.0496 200000.0 75.6612 200000.0 77.5675 210000.0 86.0964 150000000.0 87.0935 570000.0 87.0996 7700000.0 END IONS BEGIN IONS SCANS=441 PEPMASS=132.1018 CHARGE=1 COLLISION_ENERGY=0.0 43.0545 320000.0 44.0494 1400000.0 45.772 170000.0 86.0964 140000000.0 87.0995 1600000.0 END IONS BEGIN IONS SCANS=442 PEPMASS=254.1609 CHARGE=1 COLLISION_ENERGY=0.0 51.6668 10000.0 70.0651 33000.0 98.0602 32000.0 112.0871 13000.0 125.0709 66000.0 166.1339 34000.0 167.1179 170000.0 194.1287 300000.0 194.1504 19000.0 195.1128 2900000.0 196.1162 180000.0 212.1387 39000.0 220.1081 22000.0 END IONS BEGIN IONS SCANS=443 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=444 PEPMASS=86.0963 CHARGE=1 COLLISION_ENERGY=0.0 41.0386 550000.0 42.0337 160000.0 43.0542 1700000.0 44.0494 4900000.0 57.6371 63000.0 END IONS BEGIN IONS SCANS=445 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=446 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=447 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=448 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=449 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=450 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=451 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=452 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=453 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=454 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=455 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=456 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=457 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=458 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=459 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=460 PEPMASS=231.17 CHARGE=1 COLLISION_ENERGY=0.0 55.0542 16000.0 69.0699 28000.0 72.0807 480000.0 86.0963 1000000.0 87.0995 28000.0 118.0862 16000.0 132.1015 38000.0 185.1649 29000.0 END IONS BEGIN IONS SCANS=461 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=462 PEPMASS=86.0964 CHARGE=1 COLLISION_ENERGY=0.0 41.0385 310000.0 42.0339 42000.0 43.0542 960000.0 44.0389 31000.0 44.0494 2900000.0 45.0525 27000.0 107.8476 23000.0 END IONS BEGIN IONS SCANS=463 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=464 PEPMASS=132.1018 CHARGE=1 COLLISION_ENERGY=0.0 41.039 110000.0 43.0548 240000.0 44.0494 560000.0 86.0964 80000000.0 87.0996 970000.0 88.8181 88000.0 98.8861 70000.0 END IONS BEGIN IONS SCANS=465 PEPMASS=133.1051 CHARGE=1 COLLISION_ENERGY=0.0 43.0548 390000.0 44.0494 1200000.0 51.831 150000.0 86.0964 120000000.0 87.0935 340000.0 87.0996 5500000.0 87.254 180000.0 END IONS BEGIN IONS SCANS=466 PEPMASS=134.1084 CHARGE=1 COLLISION_ENERGY=0.0 41.0386 38000.0 43.0424 21000.0 43.0542 140000.0 44.0494 470000.0 44.0579 18000.0 45.0528 27000.0 56.0499 32000.0 69.0697 41000.0 86.0964 31000000.0 87.0936 280000.0 87.0996 4500000.0 88.103 81000.0 END IONS BEGIN IONS SCANS=467 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=468 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=469 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=470 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=471 PEPMASS=231.17 CHARGE=1 COLLISION_ENERGY=0.0 55.0542 32000.0 69.0699 46000.0 72.0807 1100000.0 73.0842 25000.0 86.0964 1500000.0 87.0997 54000.0 118.0864 26000.0 132.1018 87000.0 185.1643 49000.0 END IONS BEGIN IONS SCANS=472 PEPMASS=177.0689 CHARGE=1 COLLISION_ENERGY=0.0 129.1045 39000.0 END IONS BEGIN IONS SCANS=473 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=474 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=475 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=476 PEPMASS=146.0268 CHARGE=1 COLLISION_ENERGY=0.0 46.0651 35000.0 55.0542 29000.0 58.9949 110000.0 83.0491 21000.0 84.0807 26000.0 86.0599 100000.0 86.9898 200000.0 100.0214 1200000.0 101.0596 120000.0 105.0004 370000.0 END IONS BEGIN IONS SCANS=477 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=478 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=479 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=480 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=481 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=482 PEPMASS=170.061 CHARGE=1 COLLISION_ENERGY=0.0 97.0446 35000.0 124.0556 180000.0 125.0396 280000.0 126.043 14000.0 133.0283 14000.0 END IONS BEGIN IONS SCANS=483 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=484 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=485 PEPMASS=322.0544 CHARGE=1 COLLISION_ENERGY=0.0 190.0124 32000.0 END IONS BEGIN IONS SCANS=486 PEPMASS=306.0807 CHARGE=1 COLLISION_ENERGY=0.0 174.0386 3400000.0 175.0416 120000.0 END IONS BEGIN IONS SCANS=487 PEPMASS=284.0987 CHARGE=1 COLLISION_ENERGY=0.0 152.0566 720000.0 153.0608 18000.0 END IONS BEGIN IONS SCANS=488 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=489 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=490 PEPMASS=254.161 CHARGE=1 COLLISION_ENERGY=0.0 70.0651 25000.0 98.06 22000.0 125.0708 74000.0 166.1332 22000.0 167.1178 160000.0 168.1218 13000.0 194.1288 300000.0 195.1127 2900000.0 196.1161 160000.0 212.1391 31000.0 220.1077 21000.0 END IONS BEGIN IONS SCANS=491 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=492 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=493 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=494 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=495 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=496 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=497 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=498 PEPMASS=228.1704 CHARGE=1 COLLISION_ENERGY=0.0 72.0807 45000.0 84.0807 74000.0 85.0395 11000.0 86.0963 55000.0 99.0917 29000.0 112.0756 36000.0 116.0706 88000.0 127.0865 170000.0 129.1023 20000.0 138.1278 24000.0 155.0818 19000.0 183.1492 120000.0 END IONS BEGIN IONS SCANS=499 PEPMASS=254.1609 CHARGE=1 COLLISION_ENERGY=0.0 70.0652 51000.0 97.0759 32000.0 98.0601 39000.0 112.0871 12000.0 125.0711 81000.0 166.1338 120000.0 167.1178 320000.0 194.1287 1400000.0 195.1127 2200000.0 195.1308 95000.0 196.1157 120000.0 205.888 11000.0 209.1398 28000.0 212.1398 59000.0 220.1079 120000.0 END IONS BEGIN IONS SCANS=500 PEPMASS=176.0656 CHARGE=1 COLLISION_ENERGY=0.0 129.1047 26000.0 END IONS BEGIN IONS SCANS=501 PEPMASS=86.0963 CHARGE=1 COLLISION_ENERGY=0.0 41.0385 110000.0 43.0541 34000.0 44.0494 810000.0 57.0572 41000.0 58.065 57000.0 END IONS BEGIN IONS SCANS=502 PEPMASS=132.1018 CHARGE=1 COLLISION_ENERGY=0.0 44.0494 180000.0 45.974 24000.0 57.0575 26000.0 69.065 32000.0 69.0698 610000.0 86.0964 19000000.0 87.0933 44000.0 87.0995 720000.0 111.8122 26000.0 END IONS BEGIN IONS SCANS=503 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=504 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=505 PEPMASS=133.1052 CHARGE=1 COLLISION_ENERGY=0.0 41.0388 19000.0 44.0494 220000.0 69.0698 720000.0 70.0732 75000.0 86.0964 17000000.0 87.0935 110000.0 87.0996 1900000.0 88.0214 44000.0 END IONS BEGIN IONS SCANS=506 PEPMASS=132.1018 CHARGE=1 COLLISION_ENERGY=0.0 44.0494 350000.0 56.0501 53000.0 69.0698 1200000.0 86.0964 35000000.0 87.0937 83000.0 87.0996 1400000.0 98.09 47000.0 111.8993 46000.0 END IONS BEGIN IONS SCANS=507 PEPMASS=86.0963 CHARGE=1 COLLISION_ENERGY=0.0 41.0385 220000.0 43.0541 45000.0 44.0494 1400000.0 57.0571 71000.0 58.0652 98000.0 END IONS BEGIN IONS SCANS=508 PEPMASS=192.0395 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=509 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=510 PEPMASS=254.1609 CHARGE=1 COLLISION_ENERGY=0.0 70.065 17000.0 98.06 15000.0 125.0709 29000.0 166.1336 41000.0 167.1178 110000.0 194.1287 480000.0 195.1127 730000.0 195.1311 31000.0 196.116 40000.0 212.1396 19000.0 220.1078 38000.0 END IONS BEGIN IONS SCANS=511 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=512 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=513 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=514 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=515 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=516 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=517 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=518 PEPMASS=208.0135 CHARGE=1 COLLISION_ENERGY=0.0 122.9248 16000.0 124.9225 25000.0 END IONS BEGIN IONS SCANS=519 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=520 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=521 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=522 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=523 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=524 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=525 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=526 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=527 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=528 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=529 PEPMASS=122.9244 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=530 PEPMASS=458.7694 CHARGE=1 COLLISION_ENERGY=0.0 122.9244 430000.0 206.8859 120000.0 END IONS BEGIN IONS SCANS=531 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=532 PEPMASS=206.8857 CHARGE=1 COLLISION_ENERGY=0.0 122.9244 410000.0 END IONS BEGIN IONS SCANS=533 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=534 PEPMASS=542.7307 CHARGE=1 COLLISION_ENERGY=0.0 122.9244 780000.0 206.8858 420000.0 290.8474 58000.0 END IONS BEGIN IONS SCANS=535 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=536 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=537 PEPMASS=290.847 CHARGE=1 COLLISION_ENERGY=0.0 122.9244 960000.0 206.8854 33000.0 END IONS BEGIN IONS SCANS=538 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=539 PEPMASS=292.8449 CHARGE=1 COLLISION_ENERGY=0.0 122.9244 150000.0 124.9224 120000.0 END IONS BEGIN IONS SCANS=540 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=541 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=542 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=543 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=544 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=545 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=546 PEPMASS=118.0861 CHARGE=1 COLLISION_ENERGY=0.0 49.4106 480000.0 53.0625 410000.0 56.5462 440000.0 58.0651 4000000.0 59.0729 11000000.0 75.4792 450000.0 END IONS BEGIN IONS SCANS=547 PEPMASS=119.0894 CHARGE=1 COLLISION_ENERGY=0.0 42.0347 30000.0 48.9847 30000.0 53.7976 31000.0 58.065 1300000.0 59.0728 3300000.0 60.0764 120000.0 END IONS BEGIN IONS SCANS=548 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=549 PEPMASS=158.04 CHARGE=1 COLLISION_ENERGY=0.0 40.9612 270000.0 74.0964 40000.0 75.0996 15000.0 86.0963 12000.0 98.9664 14000.0 112.0519 10000.0 112.1116 34000.0 113.0556 24000.0 114.0504 88000.0 131.0659 19000.0 132.0608 76000.0 END IONS BEGIN IONS SCANS=550 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=551 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=552 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=553 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=554 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=555 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=556 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=557 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=558 PEPMASS=118.0861 CHARGE=1 COLLISION_ENERGY=0.0 46.5722 760000.0 46.8289 700000.0 58.0652 5600000.0 59.0729 15000000.0 59.6378 730000.0 94.2426 650000.0 END IONS BEGIN IONS SCANS=559 PEPMASS=156.042 CHARGE=1 COLLISION_ENERGY=0.0 43.495 49000.0 43.7693 53000.0 56.0495 360000.0 64.0003 58000.0 66.0253 150000.0 74.0911 88000.0 74.0963 730000.0 96.9686 260000.0 102.0551 160000.0 103.5482 47000.0 109.0674 590000.0 112.0521 960000.0 130.0629 1100000.0 176.4132 63000.0 END IONS BEGIN IONS SCANS=560 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=561 PEPMASS=133.105 CHARGE=1 COLLISION_ENERGY=0.0 44.0494 22000.0 69.0699 15000.0 86.0964 1700000.0 87.0996 100000.0 END IONS BEGIN IONS SCANS=562 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=563 PEPMASS=119.0894 CHARGE=1 COLLISION_ENERGY=0.0 41.8195 64000.0 42.0328 63000.0 42.0346 68000.0 47.5213 49000.0 55.2487 90000.0 58.0616 170000.0 58.065 4300000.0 59.0728 10000000.0 60.0701 69000.0 60.0761 420000.0 END IONS BEGIN IONS SCANS=564 PEPMASS=235.165 CHARGE=1 COLLISION_ENERGY=0.0 89.1098 54000.0 95.9567 50000.0 118.0861 16000000.0 118.183 56000.0 119.09 440000.0 132.1019 170000.0 138.2521 55000.0 205.3227 45000.0 END IONS BEGIN IONS SCANS=565 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=566 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=567 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=568 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=569 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=570 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=571 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=572 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=573 PEPMASS=273.1208 CHARGE=1 COLLISION_ENERGY=0.0 53.1898 31000.0 53.2846 25000.0 59.9092 24000.0 74.0965 110000.0 96.9689 30000.0 98.5065 29000.0 109.638 26000.0 112.0523 210000.0 130.0627 170000.0 148.5533 29000.0 156.0422 25000000.0 157.0457 660000.0 END IONS BEGIN IONS SCANS=574 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=575 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=576 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=577 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=578 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=579 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=580 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=581 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=582 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=583 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=584 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=585 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=586 PEPMASS=150.0581 CHARGE=1 COLLISION_ENERGY=0.0 56.0494 630000.0 61.0106 280000.0 74.0237 36000.0 74.0601 41000.0 85.0284 28000.0 87.0262 73000.0 102.0549 240000.0 104.0527 1000000.0 105.056 33000.0 123.0301 17000.0 END IONS BEGIN IONS SCANS=587 PEPMASS=257.1468 CHARGE=1 COLLISION_ENERGY=0.0 56.7692 36000.0 59.041 44000.0 61.4698 37000.0 63.1612 35000.0 69.3174 35000.0 74.0965 350000.0 114.089 51000.0 140.0681 18000000.0 141.0718 490000.0 231.1674 48000.0 END IONS BEGIN IONS SCANS=588 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=589 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=590 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=591 PEPMASS=163.0534 CHARGE=1 COLLISION_ENERGY=0.0 40.4309 140000.0 42.0338 860000.0 42.7561 170000.0 45.0001 140000.0 58.995 1100000.0 59.0603 6300000.0 76.0215 3000000.0 83.0601 350000.0 86.9898 2400000.0 99.0556 170000.0 100.0215 2700000.0 105.0004 3500000.0 117.048 3400000.0 122.0269 3000000.0 129.0655 490000.0 END IONS BEGIN IONS SCANS=592 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=593 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=594 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=595 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=596 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=597 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=598 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=599 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=600 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=601 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=602 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=603 PEPMASS=107.0715 CHARGE=1 COLLISION_ENERGY=0.0 56.0494 1800000.0 57.0528 17000.0 62.5743 11000.0 64.0294 2200000.0 65.0327 17000.0 END IONS BEGIN IONS SCANS=604 PEPMASS=136.0504 CHARGE=1 COLLISION_ENERGY=0.0 41.0384 130000.0 44.9793 310000.0 45.022 50000.0 45.9856 220000.0 57.0335 720000.0 64.0294 8200000.0 78.0087 630000.0 78.0451 660000.0 85.0283 2600000.0 90.0451 17000000.0 108.0192 1200000.0 108.0557 1600000.0 156.1165 42000.0 END IONS BEGIN IONS SCANS=605 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=606 PEPMASS=153.077 CHARGE=1 COLLISION_ENERGY=0.0 43.7805 140000.0 56.0495 18000000.0 64.0295 6400000.0 74.0235 660000.0 74.06 1400000.0 84.0443 670000.0 90.045 2000000.0 102.0549 8600000.0 103.0582 290000.0 107.0716 42000000.0 108.0756 1100000.0 END IONS BEGIN IONS SCANS=607 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=608 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=609 PEPMASS=201.0092 CHARGE=1 COLLISION_ENERGY=0.0 46.0823 11000.0 49.6436 10000.0 50.3675 10000.0 51.3419 10000.0 53.243 14000.0 104.5354 11000.0 161.8929 10000.0 END IONS BEGIN IONS SCANS=610 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=611 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=612 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=613 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=614 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=615 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=616 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=617 PEPMASS=156.042 CHARGE=1 COLLISION_ENERGY=0.0 40.2269 54000.0 45.0705 41000.0 56.0494 430000.0 66.0253 140000.0 74.0963 600000.0 92.0403 51000.0 93.0847 46000.0 96.9685 180000.0 102.0548 210000.0 107.0714 91000.0 109.0674 760000.0 112.0522 820000.0 130.0628 890000.0 END IONS BEGIN IONS SCANS=618 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=619 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=620 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=621 PEPMASS=273.1208 CHARGE=1 COLLISION_ENERGY=0.0 74.0963 100000.0 96.9686 28000.0 112.0522 150000.0 130.0626 130000.0 156.042 11000000.0 157.0455 320000.0 END IONS BEGIN IONS SCANS=622 PEPMASS=132.1017 CHARGE=1 COLLISION_ENERGY=0.0 44.0494 17000.0 61.0105 14000.0 69.0698 21000.0 86.0964 1500000.0 87.0262 26000.0 87.0996 33000.0 END IONS BEGIN IONS SCANS=623 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=624 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=625 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=626 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=627 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=628 PEPMASS=133.105 CHARGE=1 COLLISION_ENERGY=0.0 44.0494 28000.0 61.0105 38000.0 69.0699 13000.0 85.0281 12000.0 86.0964 2000000.0 87.0262 77000.0 87.0996 120000.0 END IONS BEGIN IONS SCANS=629 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=630 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=631 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=632 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=633 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=634 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=635 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=636 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=637 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=638 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=639 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=640 PEPMASS=217.1545 CHARGE=1 COLLISION_ENERGY=0.0 55.0542 140000.0 70.0651 310000.0 71.0628 23000.0 71.0684 190000.0 72.0808 4800000.0 73.0839 100000.0 101.0598 16000.0 118.0764 21000.0 118.0863 230000.0 166.1465 14000.0 171.1489 110000.0 END IONS BEGIN IONS SCANS=641 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=642 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=643 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=644 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=645 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=646 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=647 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=648 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=649 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=650 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=651 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=652 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=653 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=654 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=655 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=656 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=657 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=658 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=659 PEPMASS=203.1388 CHARGE=1 COLLISION_ENERGY=0.0 86.0964 260000.0 132.1019 63000.0 157.1337 11000.0 END IONS BEGIN IONS SCANS=660 PEPMASS=215.1389 CHARGE=1 COLLISION_ENERGY=0.0 70.0651 7300000.0 71.0684 210000.0 72.0805 31000.0 91.9248 16000.0 116.0704 67000.0 118.0861 39000.0 150.4883 17000.0 169.1333 210000.0 184.8074 18000.0 END IONS BEGIN IONS SCANS=661 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=662 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=663 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=664 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=665 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=666 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=667 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=668 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=669 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=670 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=671 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=672 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=673 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=674 PEPMASS=138.0548 CHARGE=1 COLLISION_ENERGY=0.0 92.0408 17000.0 94.065 15000.0 END IONS BEGIN IONS SCANS=675 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=676 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=677 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=678 PEPMASS=227.158 CHARGE=1 COLLISION_ENERGY=0.0 70.0651 260000.0 71.0682 15000.0 84.0443 71000.0 84.0807 300000.0 85.084 31000.0 98.0597 20000.0 112.0754 36000.0 116.0705 150000.0 125.0708 740000.0 126.0747 83000.0 129.1021 66000.0 153.0656 75000.0 154.0734 78000.0 181.0972 17000.0 181.1333 220000.0 182.1371 52000.0 END IONS BEGIN IONS SCANS=679 PEPMASS=226.1548 CHARGE=1 COLLISION_ENERGY=0.0 70.0651 430000.0 84.0445 53000.0 84.0807 610000.0 85.0838 19000.0 88.2503 15000.0 98.0605 28000.0 112.0753 97000.0 116.0706 130000.0 125.0709 1500000.0 126.0747 50000.0 129.1022 120000.0 141.0657 11000.0 153.0658 200000.0 154.0739 140000.0 181.1002 20000.0 181.1335 510000.0 182.1374 26000.0 END IONS BEGIN IONS SCANS=680 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=681 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=682 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=683 PEPMASS=118.0862 CHARGE=1 COLLISION_ENERGY=0.0 55.0542 13000.0 56.0494 11000.0 58.065 93000.0 59.0728 240000.0 72.0805 25000.0 END IONS BEGIN IONS SCANS=684 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=685 PEPMASS=197.0409 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=686 PEPMASS=320.1714 CHARGE=1 COLLISION_ENERGY=0.0 60.0556 21000.0 70.0652 19000.0 85.0394 17000.0 98.06 63000.0 107.0493 13000.0 112.0868 10000.0 127.0865 16000.0 136.0754 38000.0 155.0813 27000.0 188.1065 16000.0 216.1021 41000.0 232.1437 18000.0 233.1283 210000.0 234.1323 20000.0 260.1392 42000.0 261.1231 870000.0 262.1267 78000.0 275.1497 12000.0 278.15 13000.0 END IONS BEGIN IONS SCANS=687 PEPMASS=115.0865 CHARGE=1 COLLISION_ENERGY=0.0 41.9952 14000.0 70.0651 7000000.0 71.0684 190000.0 87.0915 250000.0 END IONS BEGIN IONS SCANS=688 PEPMASS=137.0684 CHARGE=1 COLLISION_ENERGY=0.0 64.0294 74000.0 85.0283 23000.0 90.045 140000.0 91.0485 12000.0 END IONS BEGIN IONS SCANS=689 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=690 PEPMASS=265.1115 CHARGE=1 COLLISION_ENERGY=0.0 81.0446 11000.0 122.0712 370000.0 144.0477 97000.0 END IONS BEGIN IONS SCANS=691 PEPMASS=228.1453 CHARGE=1 COLLISION_ENERGY=0.0 60.0555 22000.0 70.0651 11000.0 98.0599 17000.0 99.055 14000.0 141.1022 130000.0 168.1131 36000.0 169.0971 630000.0 170.1006 27000.0 186.1236 13000.0 END IONS BEGIN IONS SCANS=692 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=693 PEPMASS=226.1549 CHARGE=1 COLLISION_ENERGY=0.0 70.0651 55000.0 84.0807 55000.0 90.9766 88000.0 112.0755 19000.0 125.0709 320000.0 129.1022 22000.0 153.0657 39000.0 154.0737 21000.0 181.1336 92000.0 END IONS BEGIN IONS SCANS=694 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=695 PEPMASS=228.1454 CHARGE=1 COLLISION_ENERGY=0.0 60.0556 88000.0 70.0651 17000.0 98.06 48000.0 99.0554 54000.0 115.0867 13000.0 127.0502 18000.0 140.1181 33000.0 141.1021 490000.0 142.1053 13000.0 168.1133 84000.0 169.0971 2400000.0 170.1006 97000.0 183.1239 14000.0 186.124 41000.0 194.0932 11000.0 END IONS BEGIN IONS SCANS=696 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=697 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=698 PEPMASS=118.0862 CHARGE=1 COLLISION_ENERGY=0.0 55.0542 200000.0 58.0655 37000.0 59.0729 96000.0 72.0807 6900000.0 73.0787 27000.0 73.0839 200000.0 END IONS BEGIN IONS SCANS=699 PEPMASS=132.1017 CHARGE=1 COLLISION_ENERGY=0.0 44.0494 18000.0 69.0699 13000.0 86.0964 1300000.0 87.0995 24000.0 END IONS BEGIN IONS SCANS=700 PEPMASS=133.1051 CHARGE=1 COLLISION_ENERGY=0.0 44.0494 19000.0 86.0964 1300000.0 87.0261 15000.0 87.0996 74000.0 END IONS BEGIN IONS SCANS=701 PEPMASS=153.077 CHARGE=1 COLLISION_ENERGY=0.0 56.0494 190000.0 64.0294 65000.0 74.0599 11000.0 90.0451 20000.0 102.0549 86000.0 107.0716 440000.0 108.0754 14000.0 END IONS BEGIN IONS SCANS=702 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=703 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=704 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=705 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=706 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=707 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=708 PEPMASS=298.0247 CHARGE=1 COLLISION_ENERGY=0.0 162.0502 1200000.0 163.0537 32000.0 END IONS BEGIN IONS SCANS=709 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=710 PEPMASS=162.0499 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=711 PEPMASS=118.0861 CHARGE=1 COLLISION_ENERGY=0.0 58.065 50000.0 59.0729 140000.0 72.0807 920000.0 73.084 20000.0 END IONS BEGIN IONS SCANS=712 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=713 PEPMASS=90.9766 CHARGE=1 COLLISION_ENERGY=0.0 44.0494 16000.0 END IONS BEGIN IONS SCANS=714 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=715 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=716 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=717 PEPMASS=133.1051 CHARGE=1 COLLISION_ENERGY=0.0 44.0494 21000.0 86.0964 1400000.0 87.0996 86000.0 END IONS BEGIN IONS SCANS=718 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=719 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=720 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=721 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=722 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=723 PEPMASS=132.1017 CHARGE=1 COLLISION_ENERGY=0.0 44.0495 17000.0 69.0699 12000.0 86.0964 1200000.0 87.0997 23000.0 END IONS BEGIN IONS SCANS=724 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=725 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=726 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=727 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=728 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=729 PEPMASS=430.9133 CHARGE=1 COLLISION_ENERGY=0.0 59.0763 10000.0 90.9766 5300000.0 91.9801 35000.0 158.9639 3700000.0 159.968 43000.0 226.9513 2700000.0 227.9545 53000.0 END IONS BEGIN IONS SCANS=730 PEPMASS=498.9006 CHARGE=1 COLLISION_ENERGY=0.0 60.3679 12000.0 63.7146 14000.0 69.5915 12000.0 90.9765 2200000.0 111.1439 13000.0 131.637 13000.0 158.964 1800000.0 159.9665 21000.0 226.9514 1600000.0 227.9538 39000.0 END IONS BEGIN IONS SCANS=731 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=732 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=733 PEPMASS=566.888 CHARGE=1 COLLISION_ENERGY=0.0 64.8064 15000.0 76.7159 12000.0 90.9766 1800000.0 91.9801 16000.0 136.5202 14000.0 158.964 1700000.0 159.9679 26000.0 180.8472 14000.0 203.3796 15000.0 226.9515 2900000.0 227.9554 62000.0 269.1809 16000.0 294.9393 29000.0 362.9259 34000.0 END IONS BEGIN IONS SCANS=734 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=735 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=736 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=737 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=738 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=739 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=740 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=741 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=742 PEPMASS=162.0499 CHARGE=1 COLLISION_ENERGY=0.0 59.0603 13000.0 END IONS BEGIN IONS SCANS=743 PEPMASS=566.888 CHARGE=1 COLLISION_ENERGY=0.0 90.9765 2000000.0 91.9799 13000.0 158.9639 2000000.0 159.9676 25000.0 226.0441 15000.0 226.9513 3000000.0 227.955 52000.0 294.9394 21000.0 362.9256 45000.0 END IONS BEGIN IONS SCANS=744 PEPMASS=298.0246 CHARGE=1 COLLISION_ENERGY=0.0 162.0501 1000000.0 163.0539 31000.0 END IONS BEGIN IONS SCANS=745 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=746 PEPMASS=90.9766 CHARGE=1 COLLISION_ENERGY=0.0 46.7064 23000.0 46.9867 46000.0 59.3186 24000.0 62.9815 33000.0 END IONS BEGIN IONS SCANS=747 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=748 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=749 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=750 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=751 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=752 PEPMASS=362.926 CHARGE=1 COLLISION_ENERGY=0.0 51.7523 31000.0 90.9766 4000000.0 91.9801 32000.0 99.253 29000.0 158.9639 2000000.0 192.2035 27000.0 206.6746 30000.0 226.0446 74000.0 226.9514 340000.0 END IONS BEGIN IONS SCANS=753 PEPMASS=430.9133 CHARGE=1 COLLISION_ENERGY=0.0 90.9766 4000000.0 91.9799 34000.0 158.964 3600000.0 159.9673 50000.0 226.9514 2400000.0 227.9548 56000.0 END IONS BEGIN IONS SCANS=754 PEPMASS=498.9006 CHARGE=1 COLLISION_ENERGY=0.0 61.1651 10000.0 69.5015 10000.0 85.7827 12000.0 90.9766 2800000.0 91.9801 17000.0 112.8362 10000.0 131.1944 11000.0 158.9639 2200000.0 159.9672 32000.0 226.9513 2000000.0 227.9542 43000.0 332.1644 13000.0 END IONS BEGIN IONS SCANS=755 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=756 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=757 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=758 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=759 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=760 PEPMASS=430.9133 CHARGE=1 COLLISION_ENERGY=0.0 90.9765 6600000.0 158.964 4500000.0 158.9809 120000.0 226.9513 3200000.0 287.6482 40000.0 452.7095 46000.0 END IONS BEGIN IONS SCANS=761 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=762 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=763 PEPMASS=362.926 CHARGE=1 COLLISION_ENERGY=0.0 50.3062 37000.0 51.7726 31000.0 90.9765 4900000.0 91.9797 45000.0 112.4135 38000.0 113.7843 34000.0 158.9639 2000000.0 159.9685 36000.0 163.0464 38000.0 208.1856 34000.0 211.1337 34000.0 226.0447 64000.0 226.9513 380000.0 301.9851 34000.0 END IONS BEGIN IONS SCANS=764 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=765 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=766 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=767 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=768 PEPMASS=498.9006 CHARGE=1 COLLISION_ENERGY=0.0 61.7941 25000.0 67.604 31000.0 90.9765 3400000.0 91.9799 33000.0 149.4912 26000.0 158.9639 2600000.0 160.0339 140000.0 217.8343 25000.0 226.9513 2400000.0 227.9545 45000.0 437.5009 28000.0 END IONS BEGIN IONS SCANS=769 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=770 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=771 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=772 PEPMASS=566.888 CHARGE=1 COLLISION_ENERGY=0.0 90.9766 1800000.0 158.9639 2100000.0 159.9676 19000.0 160.0344 50000.0 226.9514 4000000.0 227.9546 81000.0 294.9387 37000.0 296.0096 13000.0 362.9252 70000.0 END IONS BEGIN IONS SCANS=773 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=774 PEPMASS=226.9513 CHARGE=1 COLLISION_ENERGY=0.0 76.036 40000.0 79.0735 41000.0 90.9767 31000000.0 91.7342 29000.0 91.9802 120000.0 103.7022 39000.0 158.9639 3000000.0 159.9686 41000.0 END IONS BEGIN IONS SCANS=775 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=776 PEPMASS=158.9639 CHARGE=1 COLLISION_ENERGY=0.0 42.686 21000.0 44.5082 22000.0 44.9933 27000.0 48.6301 20000.0 68.0133 25000.0 79.0738 22000.0 79.5332 24000.0 79.8352 22000.0 90.9766 4700000.0 91.9798 30000.0 END IONS BEGIN IONS SCANS=777 PEPMASS=90.9766 CHARGE=1 COLLISION_ENERGY=0.0 40.3337 24000.0 40.9416 23000.0 46.9867 46000.0 53.9624 26000.0 58.0116 25000.0 END IONS BEGIN IONS SCANS=778 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=779 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=780 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=781 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=782 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=783 PEPMASS=430.9133 CHARGE=1 COLLISION_ENERGY=0.0 51.3873 16000.0 52.8396 16000.0 54.7696 18000.0 57.3825 16000.0 90.9766 6600000.0 91.98 47000.0 158.964 4900000.0 159.9674 57000.0 160.0346 47000.0 176.5848 17000.0 226.9513 3700000.0 227.9552 54000.0 228.6295 16000.0 255.784 17000.0 289.0933 17000.0 385.6708 18000.0 END IONS BEGIN IONS SCANS=784 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=785 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=786 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=787 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=788 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=789 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=790 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=791 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=792 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=793 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=794 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=795 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=796 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=797 PEPMASS=498.9006 CHARGE=1 COLLISION_ENERGY=0.0 90.9765 1300000.0 158.9639 1000000.0 159.9672 16000.0 160.0344 86000.0 226.9514 1200000.0 227.9545 30000.0 296.009 17000.0 END IONS BEGIN IONS SCANS=798 PEPMASS=566.888 CHARGE=1 COLLISION_ENERGY=0.0 90.9766 890000.0 158.964 1000000.0 159.9679 14000.0 160.0345 37000.0 226.9515 1700000.0 227.9547 36000.0 294.939 11000.0 362.9262 23000.0 END IONS BEGIN IONS SCANS=799 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=800 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=801 PEPMASS=116.0705 CHARGE=1 COLLISION_ENERGY=0.0 41.6261 11000.0 70.0651 4400000.0 71.0684 110000.0 END IONS BEGIN IONS SCANS=802 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=803 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=804 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=805 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=806 PEPMASS=90.9765 CHARGE=1 COLLISION_ENERGY=0.0 44.0494 15000.0 END IONS BEGIN IONS SCANS=807 PEPMASS=133.1051 CHARGE=1 COLLISION_ENERGY=0.0 44.0494 14000.0 86.0965 1200000.0 87.0997 63000.0 END IONS BEGIN IONS SCANS=808 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=809 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=810 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=811 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=812 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=813 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=814 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=815 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=816 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=817 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=818 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=819 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=820 PEPMASS=258.1559 CHARGE=1 COLLISION_ENERGY=0.0 109.0507 15000.0 125.0709 13000.0 126.0774 29000.0 155.0814 88000.0 181.0975 16000.0 197.1032 27000.0 199.1076 120000.0 214.1298 74000.0 END IONS BEGIN IONS SCANS=821 PEPMASS=301.9656 CHARGE=1 COLLISION_ENERGY=0.0 148.9643 75000.0 165.9908 320000.0 187.9727 160000.0 233.0878 14000.0 255.9594 16000.0 END IONS BEGIN IONS SCANS=822 PEPMASS=214.1297 CHARGE=1 COLLISION_ENERGY=0.0 60.0556 68000.0 70.065 12000.0 85.0397 22000.0 98.0601 36000.0 113.0346 34000.0 127.0865 240000.0 154.0974 59000.0 155.0815 1600000.0 156.0851 75000.0 172.1078 42000.0 END IONS BEGIN IONS SCANS=823 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=824 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=825 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=826 PEPMASS=376.9798 CHARGE=1 COLLISION_ENERGY=0.0 148.9642 110000.0 165.9907 600000.0 166.9932 12000.0 187.9726 230000.0 219.9444 11000.0 233.0871 44000.0 313.9478 22000.0 330.9737 51000.0 END IONS BEGIN IONS SCANS=827 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=828 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=829 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=830 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=831 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=832 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=833 PEPMASS=308.9924 CHARGE=1 COLLISION_ENERGY=0.0 148.9642 120000.0 165.9908 610000.0 166.9934 10000.0 187.9727 47000.0 END IONS BEGIN IONS SCANS=834 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=835 PEPMASS=173.0919 CHARGE=1 COLLISION_ENERGY=0.0 98.0599 25000.0 127.0865 91000.0 END IONS BEGIN IONS SCANS=836 PEPMASS=165.9909 CHARGE=1 COLLISION_ENERGY=0.0 62.9817 16000.0 120.0807 69000.0 END IONS BEGIN IONS SCANS=837 PEPMASS=451.994 CHARGE=1 COLLISION_ENERGY=0.0 148.9643 96000.0 165.9909 710000.0 166.9939 18000.0 187.9728 270000.0 219.9444 17000.0 308.9936 25000.0 313.948 36000.0 330.9745 150000.0 364.2211 16000.0 END IONS BEGIN IONS SCANS=838 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=839 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=840 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=841 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=842 PEPMASS=122.027 CHARGE=1 COLLISION_ENERGY=0.0 58.9949 300000.0 76.0215 1400000.0 77.025 23000.0 86.9898 490000.0 87.9934 13000.0 88.0392 15000.0 END IONS BEGIN IONS SCANS=843 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=844 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=845 PEPMASS=241.031 CHARGE=1 COLLISION_ENERGY=0.0 74.0057 12000.0 74.0236 62000.0 120.0113 150000.0 122.027 95000.0 151.9834 220000.0 153.999 18000.0 195.0259 21000.0 END IONS BEGIN IONS SCANS=846 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=847 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=848 PEPMASS=118.0861 CHARGE=1 COLLISION_ENERGY=0.0 59.0729 18000.0 72.0807 290000.0 END IONS BEGIN IONS SCANS=849 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=850 PEPMASS=122.027 CHARGE=1 COLLISION_ENERGY=0.0 58.9949 250000.0 76.0215 1200000.0 77.0247 16000.0 86.9898 430000.0 87.9932 10000.0 88.0391 18000.0 END IONS BEGIN IONS SCANS=851 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=852 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=853 PEPMASS=208.1807 CHARGE=1 COLLISION_ENERGY=0.0 70.0651 150000.0 72.0808 110000.0 84.0808 34000.0 94.0651 21000.0 96.0808 24000.0 110.0963 28000.0 120.0807 82000.0 122.0964 18000.0 137.107 16000.0 139.123 59000.0 144.0658 10000.0 END IONS BEGIN IONS SCANS=854 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=855 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=856 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=857 PEPMASS=226.9514 CHARGE=1 COLLISION_ENERGY=0.0 90.9766 380000.0 158.9641 34000.0 END IONS BEGIN IONS SCANS=858 PEPMASS=258.156 CHARGE=1 COLLISION_ENERGY=0.0 60.0556 37000.0 71.0491 12000.0 98.0599 66000.0 115.0864 14000.0 125.0709 62000.0 127.0866 25000.0 153.1021 34000.0 155.0813 400000.0 180.1133 25000.0 181.0969 160000.0 197.1031 130000.0 199.1075 740000.0 200.1109 38000.0 214.1297 340000.0 215.1327 13000.0 216.134 14000.0 END IONS BEGIN IONS SCANS=859 PEPMASS=104.0705 CHARGE=1 COLLISION_ENERGY=0.0 43.0178 31000.0 45.0334 27000.0 58.0651 16000.0 69.0334 90000.0 END IONS BEGIN IONS SCANS=860 PEPMASS=226.9514 CHARGE=1 COLLISION_ENERGY=0.0 90.9766 300000.0 158.9639 26000.0 END IONS BEGIN IONS SCANS=861 PEPMASS=245.9476 CHARGE=1 COLLISION_ENERGY=0.0 148.9642 68000.0 165.9908 330000.0 END IONS BEGIN IONS SCANS=862 PEPMASS=201.9837 CHARGE=1 COLLISION_ENERGY=0.0 74.0058 85000.0 92.0162 11000.0 120.0113 360000.0 122.0271 21000.0 END IONS BEGIN IONS SCANS=863 PEPMASS=267.9295 CHARGE=1 COLLISION_ENERGY=0.0 136.0617 26000.0 155.0426 12000.0 180.8976 260000.0 187.9727 38000.0 END IONS BEGIN IONS SCANS=864 PEPMASS=90.055 CHARGE=1 COLLISION_ENERGY=0.0 44.0495 4800000.0 45.0529 35000.0 62.2271 10000.0 END IONS BEGIN IONS SCANS=865 PEPMASS=244.1405 CHARGE=1 COLLISION_ENERGY=0.0 60.0556 37000.0 70.0649 11000.0 98.0597 15000.0 115.0503 19000.0 115.0862 14000.0 134.0186 130000.0 140.0707 26000.0 143.045 12000.0 155.0813 150000.0 157.0969 130000.0 167.0818 28000.0 184.1077 54000.0 185.0918 1100000.0 186.0954 67000.0 202.1183 20000.0 214.13 76000.0 END IONS BEGIN IONS SCANS=866 PEPMASS=230.15 CHARGE=1 COLLISION_ENERGY=0.0 55.0542 11000.0 84.0807 38000.0 85.0395 20000.0 112.0756 25000.0 113.0344 20000.0 113.0709 15000.0 129.1022 48000.0 139.0864 97000.0 141.0658 97000.0 152.1066 24000.0 167.1178 62000.0 169.0971 240000.0 185.1287 19000.0 186.1234 50000.0 195.1128 120000.0 END IONS BEGIN IONS SCANS=867 PEPMASS=134.0188 CHARGE=1 COLLISION_ENERGY=0.0 86.0964 350000.0 87.0997 34000.0 END IONS BEGIN IONS SCANS=868 PEPMASS=328.0302 CHARGE=1 COLLISION_ENERGY=0.0 134.0324 55000.0 216.9873 100000.0 END IONS BEGIN IONS SCANS=869 PEPMASS=306.0483 CHARGE=1 COLLISION_ENERGY=0.0 112.0504 480000.0 113.0544 11000.0 178.0612 31000.0 END IONS BEGIN IONS SCANS=870 PEPMASS=285.1667 CHARGE=1 COLLISION_ENERGY=0.0 70.0651 21000.0 115.0864 14000.0 181.097 100000.0 208.1079 52000.0 209.0918 240000.0 210.0955 18000.0 225.1351 19000.0 226.1183 61000.0 251.1135 84000.0 END IONS BEGIN IONS SCANS=871 PEPMASS=387.271 CHARGE=1 COLLISION_ENERGY=0.0 60.0555 18000.0 70.0651 80000.0 86.0964 16000.0 112.0868 35000.0 140.0817 16000.0 157.1084 27000.0 169.1326 11000.0 183.1488 24000.0 211.156 31000.0 225.1708 48000.0 270.1931 11000.0 271.1754 15000.0 274.1873 20000.0 288.2028 33000.0 END IONS BEGIN IONS SCANS=872 PEPMASS=187.1075 CHARGE=1 COLLISION_ENERGY=0.0 70.0651 410000.0 END IONS BEGIN IONS SCANS=873 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=874 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=875 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=876 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=877 PEPMASS=197.0894 CHARGE=1 COLLISION_ENERGY=0.0 110.0711 45000.0 152.0682 120000.0 152.0819 17000.0 156.0765 23000.0 END IONS BEGIN IONS SCANS=878 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=879 PEPMASS=269.1606 CHARGE=1 COLLISION_ENERGY=0.0 83.0606 51000.0 86.0965 50000.0 93.0447 51000.0 95.0607 14000.0 110.0712 5300000.0 111.0752 130000.0 121.0398 29000.0 138.066 240000.0 156.0766 350000.0 166.0612 33000.0 178.1336 160000.0 206.1295 41000.0 223.1552 490000.0 224.1583 36000.0 234.1243 25000.0 END IONS BEGIN IONS SCANS=880 PEPMASS=346.0543 CHARGE=1 COLLISION_ENERGY=0.0 98.984 12000.0 135.03 22000.0 152.0567 1700000.0 153.0595 57000.0 END IONS BEGIN IONS SCANS=881 PEPMASS=271.151 CHARGE=1 COLLISION_ENERGY=0.0 60.0557 10000.0 110.0711 250000.0 111.0751 140000.0 115.0866 17000.0 125.0707 42000.0 138.0656 13000.0 152.0819 19000.0 153.0658 120000.0 156.0761 11000.0 194.0926 34000.0 195.0762 610000.0 196.0802 41000.0 211.1189 21000.0 212.1028 290000.0 213.106 14000.0 224.1588 25000.0 229.1294 15000.0 237.0979 39000.0 END IONS BEGIN IONS SCANS=882 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=883 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=884 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=885 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=886 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=887 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=888 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=889 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=890 PEPMASS=129.0657 CHARGE=1 COLLISION_ENERGY=0.0 83.0603 2200000.0 84.0573 13000.0 84.0634 65000.0 END IONS BEGIN IONS SCANS=891 PEPMASS=120.0655 CHARGE=1 COLLISION_ENERGY=0.0 45.8461 12000.0 46.0287 23000.0 56.0494 1800000.0 57.0334 110000.0 57.0527 28000.0 74.06 4900000.0 75.0633 88000.0 84.0443 220000.0 END IONS BEGIN IONS SCANS=892 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=893 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=894 PEPMASS=164.0292 CHARGE=1 COLLISION_ENERGY=0.0 62.9817 180000.0 120.0031 320000.0 END IONS BEGIN IONS SCANS=895 PEPMASS=133.1051 CHARGE=1 COLLISION_ENERGY=0.0 86.0964 580000.0 87.0997 30000.0 88.0758 10000.0 END IONS BEGIN IONS SCANS=896 PEPMASS=153.077 CHARGE=1 COLLISION_ENERGY=0.0 56.0494 44000.0 64.0294 18000.0 102.0547 15000.0 107.0715 85000.0 END IONS BEGIN IONS SCANS=897 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=898 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=899 PEPMASS=129.0657 CHARGE=1 COLLISION_ENERGY=0.0 83.0604 1300000.0 84.0635 38000.0 END IONS BEGIN IONS SCANS=900 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=901 PEPMASS=233.1065 CHARGE=1 COLLISION_ENERGY=0.0 70.0651 1900000.0 71.0685 44000.0 72.0808 12000.0 112.0868 1100000.0 113.0901 27000.0 114.1025 31000.0 130.0685 130000.0 172.0898 11000.0 174.0583 24000.0 189.1171 46000.0 END IONS BEGIN IONS SCANS=902 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=903 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=904 PEPMASS=217.1293 CHARGE=1 COLLISION_ENERGY=0.0 60.0442 19000.0 60.0556 37000.0 70.0651 150000.0 71.0491 25000.0 72.0809 21000.0 95.0603 10000.0 112.0756 66000.0 112.0868 64000.0 113.0709 60000.0 114.0912 42000.0 115.0864 140000.0 116.0704 160000.0 157.0965 140000.0 158.0802 490000.0 159.084 15000.0 175.1194 160000.0 182.0923 12000.0 END IONS BEGIN IONS SCANS=905 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=906 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=907 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=908 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=909 PEPMASS=205.1181 CHARGE=1 COLLISION_ENERGY=0.0 60.0444 67000.0 72.0808 32000.0 118.0863 54000.0 159.1129 39000.0 END IONS BEGIN IONS SCANS=910 PEPMASS=176.0916 CHARGE=1 COLLISION_ENERGY=0.0 84.0443 21000.0 85.0283 13000.0 112.0756 260000.0 113.079 11000.0 130.0862 230000.0 END IONS BEGIN IONS SCANS=911 PEPMASS=120.0654 CHARGE=1 COLLISION_ENERGY=0.0 44.0495 29000.0 56.0494 130000.0 74.0236 18000.0 74.06 970000.0 75.0632 21000.0 84.0442 16000.0 END IONS BEGIN IONS SCANS=912 PEPMASS=216.1341 CHARGE=1 COLLISION_ENERGY=0.0 60.0443 25000.0 70.0284 13000.0 84.0807 150000.0 85.0396 68000.0 87.0554 18000.0 112.0757 30000.0 113.0342 14000.0 115.0501 190000.0 126.0912 40000.0 129.1021 71000.0 143.0451 160000.0 153.1022 35000.0 169.0971 140000.0 171.1127 150000.0 181.0969 89000.0 186.1236 21000.0 END IONS BEGIN IONS SCANS=913 PEPMASS=254.1109 CHARGE=1 COLLISION_ENERGY=0.0 138.0159 16000.0 155.0426 320000.0 END IONS BEGIN IONS SCANS=914 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=915 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=916 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=917 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=918 PEPMASS=142.0973 CHARGE=1 COLLISION_ENERGY=0.0 81.0447 92000.0 83.0603 17000.0 95.0603 35000.0 END IONS BEGIN IONS SCANS=919 PEPMASS=247.1287 CHARGE=1 COLLISION_ENERGY=0.0 69.0699 17000.0 86.0964 450000.0 87.0996 18000.0 133.0605 18000.0 END IONS BEGIN IONS SCANS=920 PEPMASS=203.1137 CHARGE=1 COLLISION_ENERGY=0.0 60.0556 27000.0 70.0651 38000.0 98.0598 27000.0 100.0755 19000.0 112.0869 17000.0 115.0866 19000.0 116.0705 47000.0 130.0974 11000.0 144.0654 130000.0 158.0923 45000.0 161.0918 15000.0 175.1189 99000.0 END IONS BEGIN IONS SCANS=921 PEPMASS=246.1447 CHARGE=1 COLLISION_ENERGY=0.0 86.0964 250000.0 133.0607 63000.0 END IONS BEGIN IONS SCANS=922 PEPMASS=261.1444 CHARGE=1 COLLISION_ENERGY=0.0 69.0698 34000.0 84.044 10000.0 86.0964 890000.0 87.0996 29000.0 102.0548 12000.0 130.0497 26000.0 148.0603 140000.0 END IONS BEGIN IONS SCANS=923 PEPMASS=283.1263 CHARGE=1 COLLISION_ENERGY=0.0 152.0314 12000.0 170.0423 27000.0 END IONS BEGIN IONS SCANS=924 PEPMASS=269.1607 CHARGE=1 COLLISION_ENERGY=0.0 83.0602 12000.0 86.0963 11000.0 110.0712 1000000.0 111.075 25000.0 138.066 53000.0 155.0427 19000.0 156.0766 64000.0 178.1337 47000.0 223.1551 120000.0 END IONS BEGIN IONS SCANS=925 PEPMASS=226.9513 CHARGE=1 COLLISION_ENERGY=0.0 90.9766 160000.0 158.964 11000.0 END IONS BEGIN IONS SCANS=926 PEPMASS=118.0861 CHARGE=1 COLLISION_ENERGY=0.0 72.0807 120000.0 END IONS BEGIN IONS SCANS=927 PEPMASS=244.0943 CHARGE=1 COLLISION_ENERGY=0.0 72.0808 140000.0 209.0918 20000.0 END IONS BEGIN IONS SCANS=928 PEPMASS=201.1788 CHARGE=1 COLLISION_ENERGY=0.0 72.0807 700000.0 73.0841 62000.0 85.0759 71000.0 111.0915 15000.0 129.1022 1400000.0 130.106 180000.0 156.1494 36000.0 END IONS BEGIN IONS SCANS=929 PEPMASS=200.1757 CHARGE=1 COLLISION_ENERGY=0.0 72.0807 1300000.0 73.0841 27000.0 85.076 150000.0 111.0915 27000.0 129.1022 2600000.0 130.1061 88000.0 156.1494 67000.0 END IONS BEGIN IONS SCANS=930 PEPMASS=226.9513 CHARGE=1 COLLISION_ENERGY=0.0 73.0284 25000.0 74.0059 23000.0 90.9766 91000.0 108.9775 24000.0 120.0114 39000.0 136.9725 14000.0 180.0149 17000.0 END IONS BEGIN IONS SCANS=931 PEPMASS=217.1181 CHARGE=1 COLLISION_ENERGY=0.0 70.0651 270000.0 END IONS BEGIN IONS SCANS=932 PEPMASS=265.127 CHARGE=1 COLLISION_ENERGY=0.0 129.9875 16000.0 177.1021 13000.0 END IONS BEGIN IONS SCANS=933 PEPMASS=365.1052 CHARGE=1 COLLISION_ENERGY=0.0 185.0418 270000.0 186.0451 13000.0 203.0525 610000.0 204.0559 31000.0 END IONS BEGIN IONS SCANS=934 PEPMASS=157.1698 CHARGE=1 COLLISION_ENERGY=0.0 58.0651 140000.0 END IONS BEGIN IONS SCANS=935 PEPMASS=205.1182 CHARGE=1 COLLISION_ENERGY=0.0 72.0807 180000.0 END IONS BEGIN IONS SCANS=936 PEPMASS=166.0532 CHARGE=1 COLLISION_ENERGY=0.0 56.0494 90000.0 74.0236 370000.0 75.0263 86000.0 102.0548 79000.0 120.0807 32000.0 END IONS BEGIN IONS SCANS=937 PEPMASS=210.0169 CHARGE=1 COLLISION_ENERGY=0.0 118.9953 83000.0 146.0187 340000.0 END IONS BEGIN IONS SCANS=938 PEPMASS=574.1288 CHARGE=1 COLLISION_ENERGY=0.0 97.0283 170000.0 136.0617 1000000.0 137.0661 29000.0 227.0661 21000.0 250.0934 12000.0 268.1038 20000.0 348.0717 15000.0 END IONS BEGIN IONS SCANS=939 PEPMASS=188.035 CHARGE=1 COLLISION_ENERGY=0.0 82.065 20000.0 124.0369 39000.0 128.0705 49000.0 141.1021 66000.0 142.0864 11000.0 END IONS BEGIN IONS SCANS=940 PEPMASS=166.053 CHARGE=1 COLLISION_ENERGY=0.0 56.0494 37000.0 74.0236 140000.0 75.0262 32000.0 102.0549 30000.0 120.0806 35000.0 END IONS BEGIN IONS SCANS=941 PEPMASS=147.0763 CHARGE=1 COLLISION_ENERGY=0.0 84.0444 240000.0 100.0216 31000.0 101.0708 32000.0 END IONS BEGIN IONS SCANS=942 PEPMASS=169.0582 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=943 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=944 PEPMASS=175.1075 CHARGE=1 COLLISION_ENERGY=0.0 70.065 22000.0 84.0807 270000.0 85.0648 16000.0 112.0756 89000.0 115.0864 69000.0 116.0705 25000.0 129.1022 110000.0 130.0862 120000.0 147.1127 35000.0 END IONS BEGIN IONS SCANS=945 PEPMASS=258.1446 CHARGE=1 COLLISION_ENERGY=0.0 84.0443 77000.0 84.0807 260000.0 104.1069 22000.0 112.0755 84000.0 129.0659 35000.0 129.1021 250000.0 139.0501 100000.0 150.0914 22000.0 167.0451 68000.0 167.1176 31000.0 178.0864 16000.0 181.0607 19000.0 195.1127 220000.0 213.1231 24000.0 222.1232 31000.0 223.1074 310000.0 END IONS BEGIN IONS SCANS=946 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=947 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=948 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=949 PEPMASS=106.0498 CHARGE=1 COLLISION_ENERGY=0.0 42.0338 78000.0 60.0444 4000000.0 61.0414 11000.0 61.0476 39000.0 70.0287 78000.0 END IONS BEGIN IONS SCANS=950 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=951 PEPMASS=227.1 CHARGE=1 COLLISION_ENERGY=0.0 182.0785 25000.0 END IONS BEGIN IONS SCANS=952 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=953 PEPMASS=365.1051 CHARGE=1 COLLISION_ENERGY=0.0 185.042 73000.0 203.0526 190000.0 END IONS BEGIN IONS SCANS=954 PEPMASS=277.038 CHARGE=1 COLLISION_ENERGY=0.0 120.0031 43000.0 150.0137 340000.0 END IONS BEGIN IONS SCANS=955 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=956 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=957 PEPMASS=230.1134 CHARGE=1 COLLISION_ENERGY=0.0 70.0651 350000.0 71.0491 29000.0 85.076 13000.0 90.0549 180000.0 97.0758 29000.0 99.0188 26000.0 113.0708 75000.0 115.0864 230000.0 116.0705 32000.0 138.1021 14000.0 139.0864 84000.0 141.0656 150000.0 159.0764 260000.0 166.0976 17000.0 184.1079 520000.0 185.1114 31000.0 END IONS BEGIN IONS SCANS=958 PEPMASS=150.0136 CHARGE=1 COLLISION_ENERGY=0.0 62.9817 82000.0 120.0031 180000.0 END IONS BEGIN IONS SCANS=959 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=960 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=961 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=962 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=963 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=964 PEPMASS=268.1265 CHARGE=1 COLLISION_ENERGY=0.0 110.0712 17000.0 136.0615 20000.0 151.0477 110000.0 152.0318 82000.0 169.0583 250000.0 180.0265 66000.0 234.0737 12000.0 END IONS BEGIN IONS SCANS=965 PEPMASS=246.1446 CHARGE=1 COLLISION_ENERGY=0.0 72.0807 120000.0 84.044 13000.0 98.9839 11000.0 130.0498 110000.0 147.0763 210000.0 END IONS BEGIN IONS SCANS=966 PEPMASS=118.0861 CHARGE=1 COLLISION_ENERGY=0.0 59.0729 18000.0 72.0807 100000.0 END IONS BEGIN IONS SCANS=967 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=968 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=969 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=970 PEPMASS=331.0597 CHARGE=1 COLLISION_ENERGY=0.0 159.0141 30000.0 159.9981 72000.0 177.0247 1000000.0 178.0276 29000.0 END IONS BEGIN IONS SCANS=971 PEPMASS=177.0245 CHARGE=1 COLLISION_ENERGY=0.0 62.9816 22000.0 117.9873 23000.0 141.9874 11000.0 END IONS BEGIN IONS SCANS=972 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=973 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=974 PEPMASS=155.0426 CHARGE=1 COLLISION_ENERGY=0.0 110.0212 23000.0 END IONS BEGIN IONS SCANS=975 PEPMASS=230.1133 CHARGE=1 COLLISION_ENERGY=0.0 70.0651 260000.0 71.0491 23000.0 90.0549 140000.0 95.0602 13000.0 97.0759 21000.0 99.019 11000.0 113.0709 70000.0 115.0865 170000.0 116.0706 25000.0 138.1027 13000.0 139.0865 60000.0 141.0656 130000.0 159.0764 200000.0 160.0786 11000.0 166.0971 13000.0 184.1078 390000.0 185.1109 19000.0 END IONS BEGIN IONS SCANS=976 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=977 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=978 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=979 PEPMASS=133.0607 CHARGE=1 COLLISION_ENERGY=0.0 43.0178 25000.0 44.0494 61000.0 46.0287 100000.0 70.0286 40000.0 74.0236 1300000.0 86.0963 560000.0 87.0552 1400000.0 88.0392 370000.0 88.0576 28000.0 END IONS BEGIN IONS SCANS=980 PEPMASS=286.1507 CHARGE=1 COLLISION_ENERGY=0.0 60.0556 16000.0 70.0651 170000.0 84.0444 110000.0 112.0869 120000.0 113.071 23000.0 115.0865 93000.0 116.0706 270000.0 129.0655 19000.0 144.0654 10000.0 154.0611 130000.0 157.1087 13000.0 158.0924 61000.0 175.1189 71000.0 181.0974 29000.0 183.1124 18000.0 206.0925 15000.0 209.0923 25000.0 224.1028 26000.0 226.1183 43000.0 227.1027 170000.0 241.13 19000.0 251.1143 30000.0 252.098 88000.0 END IONS BEGIN IONS SCANS=981 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=982 PEPMASS=247.1286 CHARGE=1 COLLISION_ENERGY=0.0 55.0541 45000.0 72.0807 940000.0 73.0839 26000.0 84.0443 29000.0 102.0548 33000.0 130.0498 62000.0 148.0603 300000.0 END IONS BEGIN IONS SCANS=983 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=984 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=985 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=986 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=987 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=988 PEPMASS=361.1978 CHARGE=1 COLLISION_ENERGY=0.0 60.0556 59000.0 70.0651 200000.0 112.0867 81000.0 114.1022 11000.0 115.0864 23000.0 116.0706 16000.0 130.0652 18000.0 140.0817 30000.0 157.1084 41000.0 158.0922 27000.0 159.0913 25000.0 175.1188 220000.0 188.0704 42000.0 205.0971 13000.0 301.165 18000.0 302.1485 27000.0 327.1451 12000.0 END IONS BEGIN IONS SCANS=989 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=990 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=991 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=992 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=993 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=994 PEPMASS=296.0657 CHARGE=1 COLLISION_ENERGY=0.0 86.0964 190000.0 104.1069 890000.0 105.1103 27000.0 236.9926 290000.0 END IONS BEGIN IONS SCANS=995 PEPMASS=280.0919 CHARGE=1 COLLISION_ENERGY=0.0 56.6415 17000.0 71.0731 18000.0 85.41 16000.0 86.0963 920000.0 87.0995 29000.0 88.0766 16000.0 104.1069 3700000.0 105.1105 110000.0 146.9813 59000.0 155.4504 15000.0 164.012 13000.0 165.0124 17000.0 176.9921 64000.0 221.0185 7000000.0 222.0219 200000.0 224.8703 14000.0 END IONS BEGIN IONS SCANS=996 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=997 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=998 PEPMASS=537.1943 CHARGE=1 COLLISION_ENERGY=0.0 86.0963 850000.0 87.0996 28000.0 87.2578 24000.0 104.1069 4800000.0 105.1103 150000.0 146.9822 25000.0 176.9926 48000.0 191.9003 25000.0 221.0184 7600000.0 222.0219 260000.0 250.9349 22000.0 280.0918 7900000.0 281.0946 470000.0 338.2541 26000.0 358.2368 24000.0 387.5111 25000.0 489.4497 22000.0 END IONS BEGIN IONS SCANS=999 PEPMASS=259.1133 CHARGE=1 COLLISION_ENERGY=0.0 58.0659 95000.0 60.0807 780000.0 71.073 58000.0 86.0963 2700000.0 87.0996 260000.0 98.9841 86000.0 104.107 32000000.0 105.1104 3200000.0 106.1116 81000.0 124.9997 4800000.0 126.0029 200000.0 127.0041 39000.0 166.0619 50000.0 181.0262 74000.0 184.0732 4100000.0 185.0767 440000.0 186.0777 37000.0 199.0367 170000.0 END IONS BEGIN IONS SCANS=1000 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1001 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1002 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1003 PEPMASS=258.1099 CHARGE=1 COLLISION_ENERGY=0.0 53.8555 100000.0 58.066 210000.0 60.0807 1100000.0 60.0841 100000.0 64.1271 110000.0 86.0963 4300000.0 103.9784 86000.0 104.1069 59000000.0 105.1103 1700000.0 106.2079 97000.0 110.1301 88000.0 124.9997 8300000.0 165.9462 95000.0 166.0631 140000.0 181.0271 150000.0 184.0731 7200000.0 185.0764 260000.0 199.0367 360000.0 END IONS BEGIN IONS SCANS=1004 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1005 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1006 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1007 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1008 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1009 PEPMASS=153.0769 CHARGE=1 COLLISION_ENERGY=0.0 56.0494 36000.0 64.0294 14000.0 102.0549 13000.0 107.0716 79000.0 END IONS BEGIN IONS SCANS=1010 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1011 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1012 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1013 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1014 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1015 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1016 PEPMASS=322.187 CHARGE=1 COLLISION_ENERGY=0.0 60.0556 74000.0 70.0651 280000.0 112.0869 90000.0 115.0861 21000.0 116.0704 20000.0 120.0807 43000.0 140.0816 23000.0 157.1084 28000.0 158.0926 31000.0 175.1189 210000.0 190.0972 11000.0 242.1286 13000.0 246.1122 16000.0 259.1563 14000.0 262.1547 35000.0 263.1382 39000.0 288.1343 14000.0 END IONS BEGIN IONS SCANS=1017 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1018 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1019 PEPMASS=348.0697 CHARGE=1 COLLISION_ENERGY=0.0 85.0283 16000.0 97.0284 23000.0 98.9841 19000.0 136.0617 550000.0 137.066 20000.0 164.9945 23000.0 173.1283 17000.0 213.0158 11000.0 249.0486 11000.0 END IONS BEGIN IONS SCANS=1020 PEPMASS=156.1494 CHARGE=1 COLLISION_ENERGY=0.0 72.0807 440000.0 73.0842 13000.0 85.076 550000.0 86.0792 18000.0 110.0712 17000.0 END IONS BEGIN IONS SCANS=1021 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1022 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1023 PEPMASS=255.145 CHARGE=1 COLLISION_ENERGY=0.0 83.0603 13000.0 93.0449 13000.0 97.0282 11000.0 110.0712 1600000.0 111.075 54000.0 138.0661 72000.0 156.0768 100000.0 164.118 57000.0 192.1128 11000.0 209.1396 190000.0 210.1424 12000.0 END IONS BEGIN IONS SCANS=1024 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1025 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1026 PEPMASS=198.0848 CHARGE=1 COLLISION_ENERGY=0.0 138.0524 81000.0 153.0633 120000.0 155.0789 34000.0 END IONS BEGIN IONS SCANS=1027 PEPMASS=176.1028 CHARGE=1 COLLISION_ENERGY=0.0 70.0652 42000.0 113.071 63000.0 114.0546 11000.0 115.0864 15000.0 116.0705 14000.0 END IONS BEGIN IONS SCANS=1028 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1029 PEPMASS=288.2029 CHARGE=1 COLLISION_ENERGY=0.0 60.0556 590000.0 70.0651 2100000.0 86.0962 150000.0 88.0755 39000.0 97.0759 36000.0 98.06 63000.0 112.0868 520000.0 113.0908 15000.0 115.0865 90000.0 116.0704 96000.0 130.0973 49000.0 140.0817 120000.0 156.1133 41000.0 157.1082 170000.0 158.0922 190000.0 175.1188 1700000.0 176.1227 72000.0 183.1487 39000.0 208.1429 61000.0 212.1278 99000.0 225.1707 110000.0 228.1704 280000.0 229.1543 430000.0 230.1563 28000.0 254.1495 98000.0 END IONS BEGIN IONS SCANS=1030 PEPMASS=289.2066 CHARGE=1 COLLISION_ENERGY=0.0 60.0556 310000.0 70.0651 1100000.0 71.0683 83000.0 86.0964 76000.0 97.0758 24000.0 98.0599 46000.0 112.0867 270000.0 113.0902 24000.0 115.0863 58000.0 116.0705 64000.0 130.0971 20000.0 140.0814 56000.0 156.1126 30000.0 157.108 81000.0 158.0927 100000.0 175.1188 870000.0 176.1222 120000.0 183.1496 20000.0 208.1443 31000.0 212.1275 57000.0 225.1715 49000.0 228.1706 110000.0 229.1532 170000.0 230.1566 60000.0 254.1474 49000.0 END IONS BEGIN IONS SCANS=1031 PEPMASS=168.0766 CHARGE=1 COLLISION_ENERGY=0.0 95.0603 180000.0 124.0867 21000.0 END IONS BEGIN IONS SCANS=1032 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1033 PEPMASS=229.1294 CHARGE=1 COLLISION_ENERGY=0.0 70.0651 440000.0 72.0807 25000.0 86.0711 14000.0 114.0661 300000.0 116.0705 270000.0 138.1025 15000.0 159.1126 47000.0 166.0973 200000.0 167.1 10000.0 184.1078 64000.0 END IONS BEGIN IONS SCANS=1034 PEPMASS=251.1113 CHARGE=1 COLLISION_ENERGY=0.0 190.0947 32000.0 206.0898 140000.0 END IONS BEGIN IONS SCANS=1035 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1036 PEPMASS=294.181 CHARGE=1 COLLISION_ENERGY=0.0 84.0807 1000000.0 85.084 27000.0 101.1072 61000.0 120.0806 32000.0 129.1021 190000.0 130.0863 33000.0 147.1126 84000.0 166.0857 13000.0 260.1261 14000.0 END IONS BEGIN IONS SCANS=1037 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1038 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1039 PEPMASS=258.1447 CHARGE=1 COLLISION_ENERGY=0.0 60.0807 18000.0 84.0443 53000.0 84.0807 110000.0 86.0963 64000.0 102.0548 24000.0 104.1069 660000.0 124.9997 110000.0 129.1021 200000.0 130.0861 80000.0 147.1127 46000.0 157.0969 26000.0 184.0732 96000.0 195.1132 11000.0 222.1237 15000.0 END IONS BEGIN IONS SCANS=1040 PEPMASS=365.1052 CHARGE=1 COLLISION_ENERGY=0.0 185.0424 11000.0 203.0523 26000.0 END IONS BEGIN IONS SCANS=1041 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1042 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1043 PEPMASS=258.1446 CHARGE=1 COLLISION_ENERGY=0.0 84.0443 40000.0 84.0807 87000.0 86.0963 30000.0 102.0547 17000.0 104.1069 370000.0 124.9997 56000.0 129.1021 160000.0 130.0861 61000.0 147.1126 42000.0 157.0969 22000.0 184.0732 44000.0 222.1233 11000.0 END IONS BEGIN IONS SCANS=1044 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1045 PEPMASS=216.063 CHARGE=1 COLLISION_ENERGY=0.0 62.06 15000.0 END IONS BEGIN IONS SCANS=1046 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1047 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1048 PEPMASS=238.0448 CHARGE=1 COLLISION_ENERGY=0.0 176.9922 48000.0 195.0027 500000.0 196.0056 11000.0 END IONS BEGIN IONS SCANS=1049 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1050 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1051 PEPMASS=269.1605 CHARGE=1 COLLISION_ENERGY=0.0 86.0963 220000.0 95.0602 21000.0 110.0712 550000.0 111.075 11000.0 156.0768 1900000.0 157.0803 60000.0 166.0609 88000.0 178.1336 25000.0 207.1593 11000.0 223.1553 33000.0 234.1235 30000.0 END IONS BEGIN IONS SCANS=1052 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1053 PEPMASS=260.1967 CHARGE=1 COLLISION_ENERGY=0.0 84.0807 13000000.0 85.0646 35000.0 85.0839 390000.0 86.0963 250000.0 101.1072 850000.0 102.0914 100000.0 112.0755 110000.0 129.1021 2200000.0 130.0862 460000.0 147.1126 1500000.0 163.168 27000.0 167.9792 61000.0 182.3181 28000.0 197.1647 170000.0 198.9739 110000.0 214.1917 33000.0 225.1597 100000.0 226.1431 120000.0 END IONS BEGIN IONS SCANS=1054 PEPMASS=261.2001 CHARGE=1 COLLISION_ENERGY=0.0 56.0493 40000.0 84.0808 7300000.0 85.0647 33000.0 85.078 41000.0 85.0839 690000.0 86.0963 150000.0 101.1072 430000.0 129.1021 1100000.0 130.0863 280000.0 130.1056 130000.0 147.1126 780000.0 148.1162 100000.0 180.1385 11000.0 197.1644 77000.0 198.168 17000.0 224.1751 19000.0 225.1593 57000.0 226.143 75000.0 END IONS BEGIN IONS SCANS=1055 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1056 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1057 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1058 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1059 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1060 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1061 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1062 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1063 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1064 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1065 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1066 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1067 PEPMASS=149.0636 CHARGE=1 COLLISION_ENERGY=0.0 41.0386 29000.0 56.0494 260000.0 84.0444 14000000.0 85.0284 270000.0 85.0415 97000.0 85.0476 1200000.0 86.0491 26000.0 102.0549 6700000.0 103.0584 560000.0 END IONS BEGIN IONS SCANS=1068 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1069 PEPMASS=130.0497 CHARGE=1 COLLISION_ENERGY=0.0 41.0386 45000.0 56.0493 77000.0 76.6905 17000.0 84.0444 14000000.0 85.0284 190000.0 85.0415 32000.0 85.0476 480000.0 102.055 180000.0 END IONS BEGIN IONS SCANS=1070 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1071 PEPMASS=148.0603 CHARGE=1 COLLISION_ENERGY=0.0 41.4082 75000.0 42.8833 75000.0 56.0495 330000.0 64.6032 79000.0 84.0443 26000000.0 85.0284 560000.0 85.0474 780000.0 85.0528 76000.0 102.0548 14000000.0 103.0583 550000.0 END IONS BEGIN IONS SCANS=1072 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1073 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1074 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1075 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1076 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1077 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1078 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1079 PEPMASS=288.2028 CHARGE=1 COLLISION_ENERGY=0.0 60.0556 900000.0 70.0651 3000000.0 71.0683 55000.0 86.0963 460000.0 88.0756 59000.0 98.0597 110000.0 112.0868 670000.0 115.0864 160000.0 116.0706 220000.0 130.0975 98000.0 132.1016 57000.0 140.0819 180000.0 156.1122 110000.0 157.1082 280000.0 158.0923 260000.0 175.1189 3700000.0 176.1224 130000.0 183.1493 120000.0 208.145 120000.0 212.1287 140000.0 225.1713 230000.0 228.1709 290000.0 229.1543 680000.0 242.1967 65000.0 253.1651 52000.0 254.1492 110000.0 END IONS BEGIN IONS SCANS=1080 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1081 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1082 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1083 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1084 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1085 PEPMASS=221.1129 CHARGE=1 COLLISION_ENERGY=0.0 56.0494 25000.0 74.06 400000.0 84.0442 14000.0 102.0548 29000.0 120.0655 180000.0 130.0499 30000.0 130.0863 11000.0 159.0764 27000.0 END IONS BEGIN IONS SCANS=1086 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1087 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1088 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1089 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1090 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1091 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1092 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1093 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1094 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1095 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1096 PEPMASS=366.1085 CHARGE=1 COLLISION_ENERGY=0.0 84.0803 11000.0 185.0419 40000.0 203.0525 910000.0 204.0562 110000.0 205.0562 17000.0 END IONS BEGIN IONS SCANS=1097 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1098 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1099 PEPMASS=365.1052 CHARGE=1 COLLISION_ENERGY=0.0 89.8658 18000.0 118.8936 17000.0 139.8787 17000.0 185.0417 89000.0 203.0525 1700000.0 204.057 91000.0 343.6842 19000.0 END IONS BEGIN IONS SCANS=1100 PEPMASS=118.0861 CHARGE=1 COLLISION_ENERGY=0.0 59.0729 11000.0 72.0807 110000.0 END IONS BEGIN IONS SCANS=1101 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1102 PEPMASS=360.1497 CHARGE=1 COLLISION_ENERGY=0.0 72.0808 110000.0 84.0807 80000.0 85.0284 220000.0 86.0964 370000.0 87.0998 24000.0 97.0283 39000.0 109.0283 17000.0 127.0388 76000.0 129.102 110000.0 130.0862 170000.0 145.0494 120000.0 147.1126 300000.0 163.0598 28000.0 185.1647 220000.0 186.1675 24000.0 213.1586 44000.0 228.1706 12000.0 246.1813 77000.0 248.0872 10000.0 260.197 18000.0 END IONS BEGIN IONS SCANS=1103 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1104 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1105 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1106 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1107 PEPMASS=359.2649 CHARGE=1 COLLISION_ENERGY=0.0 72.0808 77000.0 84.0807 71000.0 85.0283 88000.0 86.0963 300000.0 87.0999 12000.0 97.0283 18000.0 127.0387 28000.0 129.1021 86000.0 130.0862 140000.0 145.0492 44000.0 147.1127 290000.0 148.116 12000.0 163.0601 14000.0 185.1647 210000.0 186.1688 20000.0 213.1599 51000.0 228.1707 12000.0 246.1809 94000.0 END IONS BEGIN IONS SCANS=1108 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1109 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1110 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1111 PEPMASS=260.1967 CHARGE=1 COLLISION_ENERGY=0.0 70.064 13000.0 84.0807 5400000.0 85.0648 25000.0 85.0776 19000.0 85.084 160000.0 86.0963 160000.0 101.1072 330000.0 102.0914 61000.0 129.1021 1000000.0 130.0862 200000.0 147.1126 770000.0 148.1164 49000.0 152.1432 16000.0 173.7248 11000.0 180.1395 13000.0 181.1697 15000.0 197.1644 130000.0 198.1677 14000.0 214.1914 33000.0 225.1598 27000.0 226.1419 58000.0 END IONS BEGIN IONS SCANS=1112 PEPMASS=261.2001 CHARGE=1 COLLISION_ENERGY=0.0 56.0494 12000.0 84.0808 2900000.0 85.0651 12000.0 85.078 17000.0 85.084 270000.0 86.0963 84000.0 101.1072 160000.0 129.1021 500000.0 130.0863 110000.0 130.1058 50000.0 147.1126 380000.0 148.1162 46000.0 180.138 11000.0 197.1646 61000.0 198.1679 13000.0 214.1915 17000.0 225.157 12000.0 226.1421 29000.0 END IONS BEGIN IONS SCANS=1113 PEPMASS=433.0925 CHARGE=1 COLLISION_ENERGY=0.0 104.9919 10000.0 203.0524 20000.0 365.1055 140000.0 366.1079 12000.0 END IONS BEGIN IONS SCANS=1114 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1115 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1116 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1117 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1118 PEPMASS=345.2242 CHARGE=1 COLLISION_ENERGY=0.0 60.0556 38000.0 70.065 150000.0 71.0491 11000.0 86.0963 33000.0 88.0756 18000.0 112.0867 72000.0 115.0864 17000.0 140.0813 24000.0 143.1178 18000.0 157.1082 44000.0 175.1187 16000.0 183.1491 53000.0 189.123 17000.0 210.1601 19000.0 225.1707 130000.0 226.173 11000.0 242.1968 23000.0 270.1916 15000.0 END IONS BEGIN IONS SCANS=1119 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1120 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1121 PEPMASS=203.1502 CHARGE=1 COLLISION_ENERGY=0.0 46.0651 350000.0 70.0651 470000.0 71.0603 100000.0 71.0685 13000.0 72.0808 54000.0 88.0868 470000.0 112.0866 18000.0 114.1027 11000.0 115.0864 45000.0 116.0705 560000.0 117.0738 19000.0 133.0973 29000.0 158.0927 110000.0 158.1286 390000.0 159.1325 13000.0 END IONS BEGIN IONS SCANS=1122 PEPMASS=188.1756 CHARGE=1 COLLISION_ENERGY=0.0 72.0807 240000.0 100.0756 230000.0 117.1022 30000.0 END IONS BEGIN IONS SCANS=1123 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1124 PEPMASS=294.1671 CHARGE=1 COLLISION_ENERGY=0.0 83.0603 13000.0 110.0712 71000.0 112.0869 14000.0 123.0554 12000.0 140.0816 27000.0 155.0807 13000.0 207.088 15000.0 207.1239 34000.0 234.1349 48000.0 235.1187 270000.0 236.1219 17000.0 249.1458 47000.0 END IONS BEGIN IONS SCANS=1125 PEPMASS=335.034 CHARGE=1 COLLISION_ENERGY=0.0 182.0427 19000.0 199.9808 17000.0 214.0142 24000.0 263.0125 11000.0 290.0133 18000.0 END IONS BEGIN IONS SCANS=1126 PEPMASS=313.0521 CHARGE=1 COLLISION_ENERGY=0.0 74.0058 21000.0 74.0236 15000.0 88.0392 25000.0 110.0712 16000.0 120.0113 58000.0 120.9955 13000.0 122.0269 33000.0 148.0421 15000.0 151.9837 25000.0 153.9991 23000.0 177.9992 27000.0 192.0324 490000.0 193.0358 24000.0 194.0481 94000.0 241.0311 33000.0 267.0471 13000.0 END IONS BEGIN IONS SCANS=1127 PEPMASS=289.2066 CHARGE=1 COLLISION_ENERGY=0.0 60.0556 130000.0 69.0698 19000.0 70.065 150000.0 72.0807 17000.0 86.0963 670000.0 87.0996 64000.0 112.0867 52000.0 114.1024 20000.0 115.0864 62000.0 116.0704 130000.0 130.0974 48000.0 133.097 24000.0 156.1129 190000.0 158.0922 180000.0 159.0959 23000.0 175.1188 1200000.0 176.1222 160000.0 185.1032 31000.0 211.1443 10000.0 228.1706 21000.0 229.1535 38000.0 230.1568 14000.0 253.1655 64000.0 END IONS BEGIN IONS SCANS=1128 PEPMASS=288.2029 CHARGE=1 COLLISION_ENERGY=0.0 60.0556 230000.0 69.0698 26000.0 70.0651 270000.0 72.0807 38000.0 86.0963 1200000.0 87.0995 44000.0 112.0868 110000.0 114.1024 43000.0 115.0866 120000.0 116.0704 220000.0 130.0975 100000.0 133.0968 43000.0 156.113 410000.0 157.1066 63000.0 158.0923 370000.0 175.1188 2500000.0 176.1222 110000.0 185.1034 79000.0 211.1443 35000.0 225.1699 28000.0 226.1546 19000.0 228.171 34000.0 229.1534 86000.0 253.1656 150000.0 END IONS BEGIN IONS SCANS=1129 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1130 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1131 PEPMASS=218.1862 CHARGE=1 COLLISION_ENERGY=0.0 72.0807 570000.0 73.084 12000.0 102.055 13000.0 130.0862 610000.0 131.0896 23000.0 147.1127 92000.0 END IONS BEGIN IONS SCANS=1132 PEPMASS=306.0616 CHARGE=1 COLLISION_ENERGY=0.0 60.0555 34000.0 70.0651 120000.0 104.0524 11000.0 112.0869 35000.0 143.0314 82000.0 157.1084 10000.0 158.0923 14000.0 175.119 91000.0 186.0193 53000.0 199.1073 12000.0 246.1278 13000.0 247.1102 20000.0 262.0719 22000.0 END IONS BEGIN IONS SCANS=1133 PEPMASS=188.1756 CHARGE=1 COLLISION_ENERGY=0.0 58.0651 24000.0 72.0807 24000.0 84.0808 16000.0 112.112 24000.0 114.0912 70000.0 131.1177 15000.0 END IONS BEGIN IONS SCANS=1134 PEPMASS=260.1967 CHARGE=1 COLLISION_ENERGY=0.0 84.0807 160000.0 86.0963 160000.0 101.1071 15000.0 129.1021 150000.0 130.0861 150000.0 147.1127 230000.0 148.1157 11000.0 END IONS BEGIN IONS SCANS=1135 PEPMASS=306.1593 CHARGE=1 COLLISION_ENERGY=0.0 60.0556 37000.0 70.0651 140000.0 104.0527 13000.0 112.0868 39000.0 143.0314 51000.0 157.1083 11000.0 158.0927 16000.0 175.1189 99000.0 186.0196 27000.0 199.1079 15000.0 246.1266 16000.0 247.1109 24000.0 262.0718 17000.0 END IONS BEGIN IONS SCANS=1136 PEPMASS=284.0797 CHARGE=1 COLLISION_ENERGY=0.0 60.0444 22000.0 69.0334 27000.0 85.0283 200000.0 97.0283 42000.0 98.9899 27000.0 99.0439 19000.0 100.0214 250000.0 103.0389 54000.0 122.0269 350000.0 127.0388 69000.0 145.0492 57000.0 146.0269 410000.0 158.0269 63000.0 164.0373 90000.0 166.0315 16000.0 171.0105 24000.0 184.0425 19000.0 188.0376 75000.0 200.0374 26000.0 202.0532 20000.0 212.0376 26000.0 230.0481 30000.0 248.0587 64000.0 END IONS BEGIN IONS SCANS=1137 PEPMASS=324.0588 CHARGE=1 COLLISION_ENERGY=0.0 112.0504 140000.0 END IONS BEGIN IONS SCANS=1138 PEPMASS=219.0974 CHARGE=1 COLLISION_ENERGY=0.0 84.0443 36000.0 102.0548 45000.0 130.0497 120000.0 147.0762 37000.0 148.0603 260000.0 173.0916 11000.0 184.0608 17000.0 END IONS BEGIN IONS SCANS=1139 PEPMASS=148.0603 CHARGE=1 COLLISION_ENERGY=0.0 84.0443 430000.0 85.0476 18000.0 102.0549 210000.0 END IONS BEGIN IONS SCANS=1140 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1141 PEPMASS=154.0167 CHARGE=1 COLLISION_ENERGY=0.0 44.0494 73000.0 56.0494 21000.0 74.0236 96000.0 88.0393 22000.0 89.0472 14000.0 107.0716 39000.0 108.0113 17000.0 END IONS BEGIN IONS SCANS=1142 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1143 PEPMASS=195.0432 CHARGE=1 COLLISION_ENERGY=0.0 85.0759 16000.0 88.0392 26000.0 112.0392 76000.0 129.0658 230000.0 END IONS BEGIN IONS SCANS=1144 PEPMASS=290.1345 CHARGE=1 COLLISION_ENERGY=0.0 58.0651 710000.0 59.0683 14000.0 84.0443 77000.0 124.0757 15000.0 130.0498 53000.0 161.0919 270000.0 169.0973 14000.0 170.0813 25000.0 197.0925 14000.0 215.1026 100000.0 227.1028 25000.0 END IONS BEGIN IONS SCANS=1145 PEPMASS=283.0415 CHARGE=1 COLLISION_ENERGY=0.0 74.0058 39000.0 74.0233 13000.0 85.0283 36000.0 88.0391 30000.0 100.0213 52000.0 116.0163 49000.0 120.0112 94000.0 120.9952 54000.0 122.0269 180000.0 146.0269 93000.0 151.9834 50000.0 153.999 54000.0 162.0218 940000.0 163.0247 26000.0 164.0374 200000.0 177.9988 43000.0 237.036 52000.0 241.031 48000.0 248.0584 13000.0 END IONS BEGIN IONS SCANS=1146 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1147 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1148 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1149 PEPMASS=207.0974 CHARGE=1 COLLISION_ENERGY=0.0 56.0493 13000.0 60.0443 57000.0 74.06 200000.0 102.0547 16000.0 106.0498 26000.0 120.0653 68000.0 130.0498 12000.0 END IONS BEGIN IONS SCANS=1150 PEPMASS=308.0909 CHARGE=1 COLLISION_ENERGY=0.0 58.995 16000.0 76.0215 410000.0 76.0391 14000.0 84.0443 100000.0 116.0163 87000.0 130.0498 100000.0 142.0322 45000.0 144.0113 76000.0 162.0219 320000.0 163.0257 11000.0 170.0269 23000.0 179.0484 250000.0 187.0536 13000.0 215.0482 18000.0 233.059 87000.0 245.0591 28000.0 END IONS BEGIN IONS SCANS=1151 PEPMASS=613.1511 CHARGE=1 COLLISION_ENERGY=0.0 97.0283 160000.0 136.0617 210000.0 152.0565 11000.0 174.0386 11000.0 249.0496 12000.0 250.0938 14000.0 268.1036 13000.0 347.0255 22000.0 462.1028 46000.0 END IONS BEGIN IONS SCANS=1152 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1153 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1154 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1155 PEPMASS=317.2181 CHARGE=1 COLLISION_ENERGY=0.0 84.0807 75000.0 86.0964 25000.0 129.1021 76000.0 130.0862 43000.0 143.1179 73000.0 147.1127 52000.0 204.1343 11000.0 END IONS BEGIN IONS SCANS=1156 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1157 PEPMASS=260.1967 CHARGE=1 COLLISION_ENERGY=0.0 69.0699 23000.0 84.0807 260000.0 86.0963 580000.0 87.0996 19000.0 101.1071 27000.0 129.1021 370000.0 130.0861 480000.0 131.0894 18000.0 147.1126 790000.0 148.1161 30000.0 END IONS BEGIN IONS SCANS=1158 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1159 PEPMASS=345.2493 CHARGE=1 COLLISION_ENERGY=0.0 70.0651 16000.0 72.0807 210000.0 84.0807 46000.0 129.1022 68000.0 130.0862 110000.0 134.0325 44000.0 147.1127 220000.0 148.116 11000.0 171.1491 160000.0 172.1528 11000.0 199.1438 36000.0 234.9978 27000.0 246.1813 65000.0 256.0918 15000.0 END IONS BEGIN IONS SCANS=1160 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1161 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1162 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1163 PEPMASS=282.1181 CHARGE=1 COLLISION_ENERGY=0.0 69.0334 12000.0 73.0285 11000.0 74.06 68000.0 99.0439 78000.0 102.0548 38000.0 117.0545 150000.0 120.0654 180000.0 130.0497 20000.0 132.0654 19000.0 154.0858 14000.0 161.0377 31000.0 162.0216 11000.0 169.0945 14000.0 182.0812 11000.0 200.0918 23000.0 218.1022 33000.0 236.1128 62000.0 END IONS BEGIN IONS SCANS=1164 PEPMASS=219.0973 CHARGE=1 COLLISION_ENERGY=0.0 84.0443 280000.0 90.0549 380000.0 98.0712 11000.0 102.0547 13000.0 128.0704 19000.0 130.0497 190000.0 142.0488 14000.0 156.0654 210000.0 160.0606 14000.0 173.0921 11000.0 174.0761 19000.0 END IONS BEGIN IONS SCANS=1165 PEPMASS=248.1239 CHARGE=1 COLLISION_ENERGY=0.0 56.0494 50000.0 58.0651 18000.0 74.06 560000.0 84.0443 120000.0 101.0707 24000.0 102.0548 42000.0 119.0812 49000.0 130.0497 310000.0 147.0763 300000.0 148.0603 250000.0 170.0445 130000.0 185.0925 15000.0 203.1019 23000.0 213.0864 25000.0 END IONS BEGIN IONS SCANS=1166 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1167 PEPMASS=262.9067 CHARGE=1 COLLISION_ENERGY=0.0 142.948 84000.0 164.93 360000.0 END IONS BEGIN IONS SCANS=1168 PEPMASS=284.0796 CHARGE=1 COLLISION_ENERGY=0.0 69.0336 11000.0 85.0283 59000.0 97.0284 13000.0 100.0215 73000.0 103.0388 12000.0 122.0269 97000.0 127.0391 19000.0 145.0492 14000.0 146.0269 110000.0 158.0268 21000.0 164.0377 26000.0 188.0377 22000.0 248.059 21000.0 END IONS BEGIN IONS SCANS=1169 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1170 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1171 PEPMASS=134.0447 CHARGE=1 COLLISION_ENERGY=0.0 43.0177 110000.0 46.0287 440000.0 70.0285 88000.0 74.0236 3200000.0 75.0269 42000.0 86.0962 180000.0 88.0392 3100000.0 89.0425 73000.0 END IONS BEGIN IONS SCANS=1172 PEPMASS=142.9479 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1173 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1174 PEPMASS=249.1079 CHARGE=1 COLLISION_ENERGY=0.0 56.0494 61000.0 58.0651 26000.0 74.06 640000.0 75.0634 14000.0 84.0443 110000.0 102.055 64000.0 119.0816 22000.0 130.0497 220000.0 140.071 21000.0 147.0763 140000.0 148.0602 370000.0 170.0443 95000.0 203.1033 26000.0 204.0868 12000.0 213.0867 12000.0 END IONS BEGIN IONS SCANS=1175 PEPMASS=274.1872 CHARGE=1 COLLISION_ENERGY=0.0 60.0555 450000.0 70.0651 1500000.0 71.0683 33000.0 72.0808 99000.0 88.0755 27000.0 98.0598 51000.0 112.0868 290000.0 115.0864 69000.0 116.0703 64000.0 130.0975 23000.0 140.0816 64000.0 142.0975 37000.0 157.1082 120000.0 158.0922 99000.0 169.1324 48000.0 175.1188 1200000.0 194.1293 44000.0 198.1125 67000.0 211.155 110000.0 214.1549 170000.0 215.1389 360000.0 216.1417 19000.0 228.1814 21000.0 240.1337 57000.0 END IONS BEGIN IONS SCANS=1176 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1177 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1178 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1179 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1180 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1181 PEPMASS=338.1819 CHARGE=1 COLLISION_ENERGY=0.0 60.0555 100000.0 70.065 380000.0 98.0599 13000.0 112.0867 110000.0 115.0864 26000.0 116.0705 29000.0 130.0972 18000.0 136.0756 84000.0 140.0818 45000.0 156.0652 27000.0 157.1082 35000.0 158.0924 50000.0 175.1188 320000.0 176.1217 11000.0 206.0924 19000.0 258.124 12000.0 275.149 17000.0 278.1498 47000.0 279.1326 57000.0 304.1288 14000.0 END IONS BEGIN IONS SCANS=1182 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1183 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1184 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1185 PEPMASS=175.1439 CHARGE=1 COLLISION_ENERGY=0.0 46.0651 23000.0 84.0807 320000.0 130.0861 290000.0 130.1223 67000.0 END IONS BEGIN IONS SCANS=1186 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1187 PEPMASS=156.0767 CHARGE=1 COLLISION_ENERGY=0.0 43.7787 25000.0 60.6387 26000.0 82.0524 48000.0 83.0604 320000.0 93.0443 130000.0 95.0603 790000.0 96.0638 41000.0 110.0713 15000000.0 111.0547 51000.0 111.0663 37000.0 111.0753 420000.0 112.0867 40000.0 END IONS BEGIN IONS SCANS=1188 PEPMASS=178.0585 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1189 PEPMASS=110.0711 CHARGE=1 COLLISION_ENERGY=0.0 56.0496 11000.0 81.0446 23000.0 82.0526 36000.0 83.0603 370000.0 END IONS BEGIN IONS SCANS=1190 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1191 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1192 PEPMASS=157.0799 CHARGE=1 COLLISION_ENERGY=0.0 82.0527 59000.0 83.0604 160000.0 85.6926 12000.0 93.0446 100000.0 95.0603 440000.0 96.0639 36000.0 110.0713 7700000.0 111.0547 31000.0 111.075 790000.0 END IONS BEGIN IONS SCANS=1193 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1194 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1195 PEPMASS=246.181 CHARGE=1 COLLISION_ENERGY=0.0 72.0806 18000.0 84.0807 1200000.0 85.0838 36000.0 101.1073 65000.0 102.0914 10000.0 129.1021 190000.0 130.0865 39000.0 147.1127 140000.0 183.1494 18000.0 212.1286 11000.0 END IONS BEGIN IONS SCANS=1196 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1197 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1198 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1199 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1200 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1201 PEPMASS=299.0363 CHARGE=1 COLLISION_ENERGY=0.0 74.0058 35000.0 120.0112 55000.0 122.0267 14000.0 128.0342 10000.0 132.0113 12000.0 134.0268 21000.0 146.0448 14000.0 153.9989 22000.0 162.0215 14000.0 177.9995 24000.0 178.0166 420000.0 179.0193 14000.0 180.0322 100000.0 253.0316 25000.0 END IONS BEGIN IONS SCANS=1202 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1203 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1204 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1205 PEPMASS=310.1758 CHARGE=1 COLLISION_ENERGY=0.0 84.0807 600000.0 85.0841 15000.0 101.1072 36000.0 129.1021 110000.0 130.0861 24000.0 136.0757 20000.0 147.1127 54000.0 END IONS BEGIN IONS SCANS=1206 PEPMASS=190.1628 CHARGE=1 COLLISION_ENERGY=0.0 60.0807 450000.0 61.084 22000.0 84.0807 1200000.0 85.0839 100000.0 86.0964 11000.0 130.0862 1100000.0 131.0897 120000.0 144.1381 58000.0 END IONS BEGIN IONS SCANS=1207 PEPMASS=189.1596 CHARGE=1 COLLISION_ENERGY=0.0 60.0807 840000.0 61.0842 16000.0 84.0807 2000000.0 85.0645 18000.0 85.084 58000.0 86.0962 20000.0 102.0913 14000.0 130.0862 2100000.0 131.0899 63000.0 144.1382 110000.0 145.1411 10000.0 END IONS BEGIN IONS SCANS=1208 PEPMASS=275.1908 CHARGE=1 COLLISION_ENERGY=0.0 55.0542 15000.0 60.0556 110000.0 70.0651 140000.0 71.0682 12000.0 72.0807 470000.0 73.084 38000.0 112.0868 49000.0 114.1024 27000.0 115.0865 63000.0 116.0705 130000.0 130.0974 43000.0 142.0974 180000.0 157.108 26000.0 158.0923 200000.0 159.0961 27000.0 175.1189 990000.0 176.1222 130000.0 185.1033 25000.0 214.1548 18000.0 215.1386 45000.0 239.1503 56000.0 240.1581 12000.0 END IONS BEGIN IONS SCANS=1209 PEPMASS=274.1872 CHARGE=1 COLLISION_ENERGY=0.0 55.0541 29000.0 60.0555 200000.0 70.0651 240000.0 72.0807 880000.0 73.084 17000.0 97.0756 10000.0 112.0866 83000.0 114.1023 45000.0 115.0864 140000.0 116.0705 220000.0 130.0973 68000.0 142.0973 390000.0 157.1083 60000.0 158.0922 400000.0 175.1188 1900000.0 176.122 60000.0 185.1033 56000.0 197.1294 21000.0 212.1402 18000.0 214.1546 51000.0 215.1383 85000.0 215.1607 12000.0 239.1501 140000.0 240.1341 25000.0 END IONS BEGIN IONS SCANS=1210 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1211 PEPMASS=364.0649 CHARGE=1 COLLISION_ENERGY=0.0 152.0566 520000.0 153.059 19000.0 END IONS BEGIN IONS SCANS=1212 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1213 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1214 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1215 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1216 PEPMASS=227.1137 CHARGE=1 COLLISION_ENERGY=0.0 83.0602 19000.0 93.0447 21000.0 110.0712 2600000.0 111.075 83000.0 121.0394 13000.0 136.0868 33000.0 138.066 75000.0 156.0765 100000.0 164.0815 15000.0 166.0621 10000.0 181.1083 110000.0 END IONS BEGIN IONS SCANS=1217 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1218 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1219 PEPMASS=195.0254 CHARGE=1 COLLISION_ENERGY=0.0 59.0603 140000.0 73.0283 120000.0 76.0215 17000.0 84.0681 50000.0 85.076 170000.0 88.0392 20000.0 107.9935 51000.0 112.0392 48000.0 113.0471 26000.0 129.0657 130000.0 130.0736 58000.0 136.9724 190000.0 153.999 53000.0 END IONS BEGIN IONS SCANS=1220 PEPMASS=323.0839 CHARGE=1 COLLISION_ENERGY=0.0 59.0603 52000.0 73.0283 33000.0 76.0215 12000.0 83.0601 12000.0 85.0759 180000.0 88.0391 35000.0 112.0392 100000.0 117.0477 23000.0 120.0112 41000.0 129.0657 470000.0 130.0736 26000.0 136.9724 100000.0 153.9988 64000.0 161.0378 540000.0 162.0407 19000.0 163.0534 360000.0 195.0255 2000000.0 196.0278 76000.0 END IONS BEGIN IONS SCANS=1221 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1222 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1223 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1224 PEPMASS=237.0538 CHARGE=1 COLLISION_ENERGY=0.0 76.0214 11000.0 86.9898 11000.0 98.0236 13000.0 99.0076 28000.0 102.0008 19000.0 105.0003 30000.0 116.034 46000.0 122.0268 44000.0 132.0111 41000.0 148.0061 180000.0 156.0112 58000.0 174.0218 150000.0 184.0062 120000.0 191.0489 18000.0 202.0166 350000.0 202.9995 19000.0 203.021 13000.0 END IONS BEGIN IONS SCANS=1225 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1226 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1227 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1228 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1229 PEPMASS=259.1287 CHARGE=1 COLLISION_ENERGY=0.0 84.0807 520000.0 85.0838 16000.0 104.1069 18000.0 168.1022 10000.0 169.9876 15000.0 195.1127 110000.0 213.1232 420000.0 214.1267 26000.0 END IONS BEGIN IONS SCANS=1230 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1231 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1232 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1233 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1234 PEPMASS=235.0923 CHARGE=1 COLLISION_ENERGY=0.0 60.0443 110000.0 84.0444 14000.0 102.0551 15000.0 130.0497 56000.0 147.0762 22000.0 148.0603 100000.0 170.0445 11000.0 189.0866 11000.0 END IONS BEGIN IONS SCANS=1235 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1236 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1237 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1238 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1239 PEPMASS=472.2875 CHARGE=1 COLLISION_ENERGY=0.0 60.0557 13000.0 70.0651 110000.0 112.0868 54000.0 115.0864 12000.0 140.0817 21000.0 157.1082 56000.0 169.1332 24000.0 211.1552 130000.0 217.1181 74000.0 228.1818 58000.0 239.1505 21000.0 256.1768 33000.0 371.2408 25000.0 410.2878 25000.0 END IONS BEGIN IONS SCANS=1240 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1241 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1242 PEPMASS=175.1188 CHARGE=1 COLLISION_ENERGY=0.0 42.6908 62000.0 60.0556 8100000.0 70.0651 9900000.0 71.049 100000.0 71.0685 240000.0 72.0807 670000.0 97.0758 140000.0 112.0867 940000.0 114.1025 290000.0 115.0865 260000.0 116.0705 9600000.0 117.0736 240000.0 130.0974 4000000.0 END IONS BEGIN IONS SCANS=1243 PEPMASS=349.2302 CHARGE=1 COLLISION_ENERGY=0.0 60.0558 12000.0 70.0653 16000.0 116.0704 13000.0 175.0998 12000.0 175.1189 220000.0 175.1373 15000.0 176.1227 11000.0 END IONS BEGIN IONS SCANS=1244 PEPMASS=371.2122 CHARGE=1 COLLISION_ENERGY=0.0 137.0684 45000.0 138.0524 83000.0 162.0639 16000.0 175.1185 21000.0 179.0902 330000.0 180.0742 68000.0 197.1008 630000.0 198.104 28000.0 END IONS BEGIN IONS SCANS=1245 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1246 PEPMASS=176.1221 CHARGE=1 COLLISION_ENERGY=0.0 48.1343 32000.0 60.0556 5200000.0 61.0589 74000.0 70.0651 6600000.0 71.0683 390000.0 72.0807 500000.0 97.0757 76000.0 112.0867 680000.0 114.1025 180000.0 115.0865 190000.0 116.0705 5700000.0 117.0741 500000.0 130.0974 2100000.0 END IONS BEGIN IONS SCANS=1247 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1248 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1249 PEPMASS=197.1007 CHARGE=1 COLLISION_ENERGY=0.0 137.0683 55000.0 138.0524 77000.0 162.0633 25000.0 END IONS BEGIN IONS SCANS=1250 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1251 PEPMASS=130.0973 CHARGE=1 COLLISION_ENERGY=0.0 43.0542 20000.0 60.0556 330000.0 70.0651 710000.0 71.0491 470000.0 71.0684 27000.0 84.0807 14000.0 88.0756 94000.0 END IONS BEGIN IONS SCANS=1252 PEPMASS=246.181 CHARGE=1 COLLISION_ENERGY=0.0 55.0542 24000.0 72.0807 440000.0 73.0839 13000.0 84.0807 250000.0 101.1073 29000.0 129.1021 360000.0 130.0861 470000.0 131.0898 24000.0 147.1126 710000.0 148.1167 23000.0 END IONS BEGIN IONS SCANS=1253 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1254 PEPMASS=364.0649 CHARGE=1 COLLISION_ENERGY=0.0 152.0566 140000.0 END IONS BEGIN IONS SCANS=1255 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1256 PEPMASS=272.1714 CHARGE=1 COLLISION_ENERGY=0.0 60.0556 12000.0 70.0651 89000.0 112.0866 15000.0 115.0866 11000.0 116.0701 14000.0 140.0817 18000.0 158.0924 22000.0 175.1189 160000.0 END IONS BEGIN IONS SCANS=1257 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1258 PEPMASS=257.1242 CHARGE=1 COLLISION_ENERGY=0.0 83.0603 18000.0 110.0711 1300000.0 111.075 37000.0 130.0498 13000.0 138.0661 31000.0 156.0765 99000.0 166.0973 29000.0 195.0869 20000.0 211.1183 11000.0 END IONS BEGIN IONS SCANS=1259 PEPMASS=285.2031 CHARGE=1 COLLISION_ENERGY=0.0 70.065 12000.0 84.0807 40000.0 112.0865 23000.0 129.1019 18000.0 139.0864 14000.0 157.1083 27000.0 164.9301 25000.0 181.1336 36000.0 185.1032 10000.0 191.1181 14000.0 208.1443 20000.0 209.1283 170000.0 226.1551 19000.0 251.1499 31000.0 END IONS BEGIN IONS SCANS=1260 PEPMASS=156.0766 CHARGE=1 COLLISION_ENERGY=0.0 95.0602 18000.0 110.0712 340000.0 111.0751 11000.0 END IONS BEGIN IONS SCANS=1261 PEPMASS=442.7471 CHARGE=2 COLLISION_ENERGY=0.0 120.0807 12000.0 183.1489 59000.0 183.6509 10000.0 197.1461 24000.0 256.6834 60000.0 257.1849 19000.0 279.193 12000.0 279.6865 25000.0 292.2017 180000.0 292.7032 55000.0 328.1941 260000.0 328.6957 100000.0 385.7257 27000.0 386.2267 11000.0 398.2413 17000.0 END IONS BEGIN IONS SCANS=1262 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1263 PEPMASS=347.2287 CHARGE=1 COLLISION_ENERGY=0.0 72.0807 42000.0 74.0599 24000.0 84.0807 75000.0 101.0708 46000.0 128.1069 27000.0 129.102 110000.0 130.0861 160000.0 147.1126 300000.0 148.1163 15000.0 155.1174 10000.0 173.1283 430000.0 174.1316 28000.0 201.123 57000.0 246.1806 35000.0 END IONS BEGIN IONS SCANS=1264 PEPMASS=303.2025 CHARGE=1 COLLISION_ENERGY=0.0 72.0807 85000.0 84.0807 220000.0 101.1073 28000.0 129.1021 180000.0 130.0862 76000.0 141.1024 12000.0 147.1126 110000.0 157.097 16000.0 169.0971 10000.0 186.1235 52000.0 187.1078 22000.0 204.1341 250000.0 205.138 14000.0 END IONS BEGIN IONS SCANS=1265 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1266 PEPMASS=213.0981 CHARGE=1 COLLISION_ENERGY=0.0 83.0603 14000.0 93.0445 10000.0 110.0712 1400000.0 111.0749 41000.0 138.0661 45000.0 156.0762 11000.0 167.0927 19000.0 END IONS BEGIN IONS SCANS=1267 PEPMASS=589.14 CHARGE=1 COLLISION_ENERGY=0.0 97.0283 160000.0 112.0505 210000.0 152.0567 16000.0 END IONS BEGIN IONS SCANS=1268 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1269 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1270 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1271 PEPMASS=156.0766 CHARGE=1 COLLISION_ENERGY=0.0 95.0602 15000.0 110.0712 310000.0 END IONS BEGIN IONS SCANS=1272 PEPMASS=175.1188 CHARGE=1 COLLISION_ENERGY=0.0 60.0556 620000.0 70.0651 800000.0 71.0685 35000.0 72.0808 64000.0 97.0759 17000.0 98.0596 17000.0 112.0868 100000.0 114.1024 33000.0 115.0865 67000.0 116.0705 660000.0 117.0738 24000.0 130.0974 260000.0 END IONS BEGIN IONS SCANS=1273 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1274 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1275 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1276 PEPMASS=148.116 CHARGE=1 COLLISION_ENERGY=0.0 42.034 13000.0 43.5473 11000.0 56.0499 41000.0 67.0541 50000.0 84.0807 18000000.0 85.0646 99000.0 85.078 110000.0 85.0839 1700000.0 102.0912 140000.0 END IONS BEGIN IONS SCANS=1277 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1278 PEPMASS=191.0765 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1279 PEPMASS=130.0862 CHARGE=1 COLLISION_ENERGY=0.0 41.493 49000.0 44.6652 43000.0 56.4365 53000.0 59.7074 46000.0 84.0807 17000000.0 85.0648 56000.0 85.0779 75000.0 85.0841 530000.0 END IONS BEGIN IONS SCANS=1280 PEPMASS=84.0806 CHARGE=1 COLLISION_ENERGY=0.0 42.0338 11000.0 55.0542 14000.0 56.0494 160000.0 END IONS BEGIN IONS SCANS=1281 PEPMASS=147.1127 CHARGE=1 COLLISION_ENERGY=0.0 41.2131 70000.0 46.6814 76000.0 48.5886 69000.0 54.5945 72000.0 84.0807 33000000.0 85.0645 210000.0 85.0778 150000.0 85.0839 1100000.0 98.5336 69000.0 101.1071 270000.0 168.7053 72000.0 END IONS BEGIN IONS SCANS=1282 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1283 PEPMASS=169.0945 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1284 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1285 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1286 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1287 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1288 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1289 PEPMASS=244.1653 CHARGE=1 COLLISION_ENERGY=0.0 70.0651 330000.0 84.0808 140000.0 101.1074 28000.0 129.1022 75000.0 130.0863 68000.0 147.1128 130000.0 209.1294 12000.0 END IONS BEGIN IONS SCANS=1290 PEPMASS=257.197 CHARGE=1 COLLISION_ENERGY=0.0 84.0807 120000.0 101.1071 12000.0 112.0756 11000.0 129.102 67000.0 139.0864 82000.0 195.1488 26000.0 223.1439 200000.0 224.1468 15000.0 END IONS BEGIN IONS SCANS=1291 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1292 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1293 PEPMASS=133.0971 CHARGE=1 COLLISION_ENERGY=0.0 58.0651 90000.0 70.0651 2100000.0 71.0683 67000.0 86.0963 380000.0 87.0921 12000.0 87.0993 18000.0 END IONS BEGIN IONS SCANS=1294 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1295 PEPMASS=116.0705 CHARGE=1 COLLISION_ENERGY=0.0 70.0651 3700000.0 71.0618 10000.0 71.0684 120000.0 END IONS BEGIN IONS SCANS=1296 PEPMASS=489.2762 CHARGE=2 COLLISION_ENERGY=0.0 120.0808 11000.0 129.1022 26000.0 147.1123 22000.0 159.0916 23000.0 208.0018 15000.0 226.155 11000.0 244.1653 34000.0 298.1553 12000.0 605.3415 11000.0 633.3402 25000.0 634.3426 11000.0 706.3915 21000.0 707.3986 10000.0 734.384 26000.0 735.3951 13000.0 END IONS BEGIN IONS SCANS=1297 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1298 PEPMASS=175.1188 CHARGE=1 COLLISION_ENERGY=0.0 60.0556 170000.0 70.0651 220000.0 72.0807 14000.0 112.087 22000.0 116.0705 180000.0 130.0974 75000.0 END IONS BEGIN IONS SCANS=1299 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1300 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1301 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1302 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1303 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1304 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1305 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1306 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1307 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1308 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1309 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1310 PEPMASS=304.0393 CHARGE=1 COLLISION_ENERGY=0.0 85.0759 32000.0 107.0577 13000.0 110.0213 11000.0 112.0395 13000.0 129.0659 39000.0 133.0373 27000.0 134.0211 62000.0 151.0477 880000.0 152.0509 17000.0 161.0381 13000.0 175.981 110000.0 183.0193 18000.0 END IONS BEGIN IONS SCANS=1311 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1312 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1313 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1314 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1315 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1316 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1317 PEPMASS=283.0614 CHARGE=1 COLLISION_ENERGY=0.0 59.0603 270000.0 74.0058 210000.0 74.0236 170000.0 85.076 450000.0 88.0393 390000.0 89.0167 320000.0 112.0392 1200000.0 115.0323 1100000.0 120.0113 2400000.0 122.0269 580000.0 129.0658 3600000.0 130.0696 340000.0 153.9989 640000.0 161.038 24000000.0 162.0412 2500000.0 163.0329 770000.0 177.9991 1200000.0 195.0256 610000.0 223.0201 97000.0 237.0362 64000.0 241.0314 38000.0 END IONS BEGIN IONS SCANS=1318 PEPMASS=563.1075 CHARGE=1 COLLISION_ENERGY=0.0 82.3629 18000.0 129.0658 100000.0 140.4306 18000.0 153.9986 21000.0 161.0378 470000.0 161.0541 28000.0 178.0 35000.0 282.0571 210000.0 426.709 19000.0 END IONS BEGIN IONS SCANS=1319 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1320 PEPMASS=282.0575 CHARGE=1 COLLISION_ENERGY=0.0 59.0604 720000.0 74.006 530000.0 74.0236 610000.0 85.076 1600000.0 88.0395 1200000.0 89.0167 590000.0 111.0552 1200000.0 112.0393 5000000.0 115.0324 3600000.0 120.0113 7600000.0 122.0272 1900000.0 129.0658 15000000.0 151.9835 1400000.0 153.999 2800000.0 161.038 96000000.0 162.041 2100000.0 177.999 5000000.0 195.0253 2700000.0 223.0198 610000.0 237.0354 290000.0 241.0321 230000.0 END IONS BEGIN IONS SCANS=1321 PEPMASS=284.0532 CHARGE=1 COLLISION_ENERGY=0.0 59.0603 120000.0 74.0235 110000.0 83.0602 50000.0 85.0761 210000.0 88.0393 190000.0 89.0167 90000.0 112.0392 610000.0 115.0322 280000.0 120.0113 700000.0 122.007 390000.0 129.0657 1800000.0 130.0697 450000.0 155.9946 200000.0 161.0379 7100000.0 162.0412 3100000.0 163.0329 4200000.0 179.9943 440000.0 197.0211 250000.0 225.0173 48000.0 239.0322 27000.0 END IONS BEGIN IONS SCANS=1322 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1323 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1324 PEPMASS=163.0533 CHARGE=1 COLLISION_ENERGY=0.0 42.0338 52000.0 58.9949 49000.0 59.0603 330000.0 76.0018 16000.0 76.0215 150000.0 86.9899 140000.0 91.0126 18000.0 100.0214 150000.0 105.0004 190000.0 117.0284 79000.0 117.048 150000.0 122.0269 140000.0 END IONS BEGIN IONS SCANS=1325 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1326 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1327 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1328 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1329 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1330 PEPMASS=237.036 CHARGE=1 COLLISION_ENERGY=0.0 59.0603 61000.0 74.0059 48000.0 78.967 110000.0 84.0681 140000.0 85.076 230000.0 88.0391 17000.0 106.962 120000.0 112.0393 53000.0 113.0472 49000.0 120.0115 52000.0 129.0658 690000.0 130.0737 150000.0 150.0039 42000.0 151.9835 40000.0 161.0379 140000.0 163.0537 66000.0 178.9828 82000.0 194.0177 450000.0 END IONS BEGIN IONS SCANS=1331 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1332 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1333 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1334 PEPMASS=175.1187 CHARGE=1 COLLISION_ENERGY=0.0 60.0556 120000.0 70.0651 160000.0 112.0866 13000.0 116.0706 140000.0 130.0974 50000.0 END IONS BEGIN IONS SCANS=1335 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1336 PEPMASS=241.0308 CHARGE=1 COLLISION_ENERGY=0.0 74.0236 35000.0 120.0113 79000.0 122.0269 45000.0 151.9833 92000.0 END IONS BEGIN IONS SCANS=1337 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1338 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1339 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1340 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1341 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1342 PEPMASS=246.1559 CHARGE=1 COLLISION_ENERGY=0.0 60.0556 710000.0 70.0651 2300000.0 71.0685 58000.0 88.0757 40000.0 97.0758 58000.0 98.0601 58000.0 112.0868 510000.0 114.066 320000.0 115.0865 210000.0 116.0705 360000.0 130.0972 64000.0 140.0818 96000.0 157.1085 140000.0 158.0923 510000.0 170.0812 160000.0 175.1189 1600000.0 186.1237 380000.0 187.1077 710000.0 211.1191 120000.0 212.1028 160000.0 269.1174 14000.0 END IONS BEGIN IONS SCANS=1343 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1344 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1345 PEPMASS=247.1593 CHARGE=1 COLLISION_ENERGY=0.0 60.0556 380000.0 70.0651 1200000.0 71.0684 81000.0 72.0808 26000.0 97.0758 26000.0 98.0599 25000.0 112.0869 240000.0 114.0661 210000.0 115.0865 140000.0 116.0706 320000.0 132.0766 81000.0 133.0971 46000.0 158.0923 350000.0 170.0809 80000.0 175.1189 810000.0 176.1223 110000.0 186.1236 190000.0 187.1077 320000.0 212.1023 63000.0 END IONS BEGIN IONS SCANS=1346 PEPMASS=243.1086 CHARGE=1 COLLISION_ENERGY=0.0 84.0805 13000.0 110.0712 800000.0 111.0753 20000.0 138.0662 22000.0 156.0767 45000.0 END IONS BEGIN IONS SCANS=1347 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1348 PEPMASS=163.0535 CHARGE=1 COLLISION_ENERGY=0.0 42.0338 61000.0 58.995 79000.0 59.0604 470000.0 76.0215 220000.0 83.0606 12000.0 86.9897 150000.0 99.0556 15000.0 100.0215 190000.0 105.0004 270000.0 117.048 230000.0 122.027 210000.0 129.066 49000.0 END IONS BEGIN IONS SCANS=1349 PEPMASS=241.0308 CHARGE=1 COLLISION_ENERGY=0.0 74.0059 10000.0 74.0236 55000.0 120.0113 110000.0 122.0269 62000.0 151.9834 120000.0 END IONS BEGIN IONS SCANS=1350 PEPMASS=158.9155 CHARGE=1 COLLISION_ENERGY=0.0 78.9588 51000.0 112.1119 16000.0 END IONS BEGIN IONS SCANS=1351 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1352 PEPMASS=284.0795 CHARGE=1 COLLISION_ENERGY=0.0 85.0284 18000.0 100.0215 27000.0 110.0712 77000.0 120.0112 14000.0 122.0269 36000.0 129.0656 40000.0 146.0269 37000.0 161.0379 150000.0 162.0411 66000.0 163.0329 84000.0 164.0372 11000.0 179.9943 10000.0 188.0379 11000.0 END IONS BEGIN IONS SCANS=1353 PEPMASS=285.1192 CHARGE=1 COLLISION_ENERGY=0.0 85.0283 11000.0 100.0217 14000.0 110.0712 300000.0 122.027 17000.0 129.0658 15000.0 138.066 12000.0 146.0269 20000.0 156.0769 25000.0 161.0379 42000.0 162.041 17000.0 163.0329 40000.0 164.0371 17000.0 END IONS BEGIN IONS SCANS=1354 PEPMASS=218.1498 CHARGE=1 COLLISION_ENERGY=0.0 84.0807 620000.0 85.0839 18000.0 101.1072 23000.0 129.1021 73000.0 130.0863 27000.0 147.1127 34000.0 END IONS BEGIN IONS SCANS=1355 PEPMASS=276.1667 CHARGE=1 COLLISION_ENERGY=0.0 60.0556 400000.0 70.0651 1200000.0 71.049 34000.0 74.06 280000.0 84.0442 34000.0 88.0756 48000.0 100.0506 120000.0 112.0868 380000.0 115.0864 260000.0 116.0706 300000.0 130.0977 67000.0 144.0767 190000.0 157.1081 130000.0 158.0923 500000.0 172.108 66000.0 173.092 75000.0 175.1188 1500000.0 198.0873 69000.0 213.1343 86000.0 214.1665 99000.0 215.114 160000.0 217.1184 210000.0 232.1404 340000.0 241.129 130000.0 END IONS BEGIN IONS SCANS=1356 PEPMASS=277.1703 CHARGE=1 COLLISION_ENERGY=0.0 60.0555 210000.0 70.065 610000.0 71.0683 51000.0 72.0807 23000.0 74.0599 150000.0 88.0755 24000.0 100.0504 69000.0 112.0867 180000.0 115.0864 130000.0 116.0704 160000.0 140.0816 36000.0 144.0764 95000.0 157.1082 63000.0 158.0922 240000.0 173.0917 33000.0 175.1187 690000.0 176.1222 100000.0 198.0871 32000.0 213.1341 35000.0 214.1663 30000.0 215.1136 55000.0 217.1176 82000.0 232.1402 140000.0 241.1291 56000.0 END IONS BEGIN IONS SCANS=1357 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1358 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1359 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1360 PEPMASS=270.1195 CHARGE=1 COLLISION_ENERGY=0.0 110.0711 420000.0 111.0751 10000.0 138.066 17000.0 156.0764 37000.0 235.0818 13000.0 END IONS BEGIN IONS SCANS=1361 PEPMASS=477.7683 CHARGE=2 COLLISION_ENERGY=0.0 129.1022 51000.0 226.1551 34000.0 231.1487 15000.0 259.1437 10000.0 388.1858 11000.0 447.2583 16000.0 548.308 34000.0 549.3126 10000.0 END IONS BEGIN IONS SCANS=1362 PEPMASS=218.1499 CHARGE=1 COLLISION_ENERGY=0.0 84.0807 990000.0 85.0843 30000.0 101.1072 110000.0 129.1021 1100000.0 130.0861 810000.0 130.1059 34000.0 131.0898 27000.0 147.1126 1100000.0 155.1179 33000.0 157.0979 10000.0 183.1124 53000.0 END IONS BEGIN IONS SCANS=1363 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1364 PEPMASS=175.1188 CHARGE=1 COLLISION_ENERGY=0.0 60.0556 46000.0 70.0651 55000.0 116.0705 46000.0 130.0975 17000.0 END IONS BEGIN IONS SCANS=1365 PEPMASS=248.1604 CHARGE=1 COLLISION_ENERGY=0.0 84.0807 900000.0 85.0646 16000.0 85.084 31000.0 101.1072 69000.0 102.0913 24000.0 129.1021 180000.0 130.086 29000.0 147.1128 63000.0 213.1222 10000.0 END IONS BEGIN IONS SCANS=1366 PEPMASS=241.031 CHARGE=1 COLLISION_ENERGY=0.0 74.0059 12000.0 74.0236 50000.0 120.0112 120000.0 122.0269 59000.0 151.9832 120000.0 END IONS BEGIN IONS SCANS=1367 PEPMASS=232.1404 CHARGE=1 COLLISION_ENERGY=0.0 60.0556 170000.0 70.0651 410000.0 72.081 40000.0 75.0553 40000.0 87.0556 14000.0 97.0759 21000.0 100.0505 370000.0 112.0868 160000.0 115.0864 180000.0 116.0705 490000.0 127.0867 46000.0 129.1022 68000.0 158.0923 530000.0 172.1079 200000.0 173.0921 390000.0 175.1189 420000.0 197.1032 100000.0 198.0873 130000.0 END IONS BEGIN IONS SCANS=1368 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1369 PEPMASS=282.0575 CHARGE=1 COLLISION_ENERGY=0.0 112.0392 27000.0 115.0323 24000.0 120.0111 48000.0 122.0266 13000.0 129.0656 79000.0 153.9994 17000.0 161.0378 540000.0 162.0408 16000.0 177.9989 27000.0 195.0251 13000.0 END IONS BEGIN IONS SCANS=1370 PEPMASS=313.187 CHARGE=2 COLLISION_ENERGY=0.0 84.0443 87000.0 84.0807 23000.0 101.0708 24000.0 130.0496 43000.0 147.0763 30000.0 195.1306 33000.0 217.6412 28000.0 231.6385 13000.0 240.1746 14000.0 273.1573 17000.0 351.2379 30000.0 434.2747 15000.0 451.3041 17000.0 479.2972 32000.0 480.2972 11000.0 497.3122 11000.0 END IONS BEGIN IONS SCANS=1371 PEPMASS=248.1606 CHARGE=1 COLLISION_ENERGY=0.0 56.0493 23000.0 74.06 260000.0 84.0443 40000.0 84.0807 530000.0 85.0841 11000.0 101.1073 75000.0 129.1022 510000.0 130.0862 360000.0 130.1041 19000.0 147.1127 460000.0 148.1168 20000.0 167.1182 15000.0 169.0975 12000.0 170.0806 11000.0 185.1283 19000.0 187.1074 38000.0 212.1403 18000.0 213.123 36000.0 END IONS BEGIN IONS SCANS=1372 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1373 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1374 PEPMASS=277.139 CHARGE=1 COLLISION_ENERGY=0.0 84.0807 1500000.0 85.084 48000.0 130.0521 16000.0 130.0862 880000.0 131.0897 27000.0 148.0606 14000.0 167.1178 12000.0 168.1013 16000.0 195.1127 93000.0 213.1233 480000.0 214.1035 26000.0 214.1296 27000.0 231.1339 79000.0 END IONS BEGIN IONS SCANS=1375 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1376 PEPMASS=278.1424 CHARGE=1 COLLISION_ENERGY=0.0 84.0808 830000.0 85.084 71000.0 130.0862 420000.0 131.0898 51000.0 195.1129 44000.0 213.1234 210000.0 214.1064 14000.0 214.1286 44000.0 231.1339 38000.0 END IONS BEGIN IONS SCANS=1377 PEPMASS=282.0574 CHARGE=1 COLLISION_ENERGY=0.0 85.0759 18000.0 88.039 17000.0 89.0169 12000.0 111.055 13000.0 112.0392 48000.0 115.0323 47000.0 120.0115 95000.0 122.0269 26000.0 129.0657 150000.0 151.9834 14000.0 153.999 21000.0 161.0378 1000000.0 162.0404 26000.0 177.999 53000.0 195.026 30000.0 END IONS BEGIN IONS SCANS=1378 PEPMASS=304.1613 CHARGE=1 COLLISION_ENERGY=0.0 60.0555 270000.0 70.065 810000.0 84.0441 35000.0 84.0806 34000.0 97.076 21000.0 98.0598 35000.0 102.0547 37000.0 112.0867 240000.0 113.0705 31000.0 115.0863 69000.0 116.0704 97000.0 140.0813 57000.0 154.0608 35000.0 157.108 74000.0 158.0922 110000.0 172.0713 23000.0 175.1188 590000.0 182.0813 31000.0 224.1025 30000.0 227.102 35000.0 228.0859 30000.0 241.1296 44000.0 244.1284 100000.0 245.1126 140000.0 252.0973 31000.0 269.1243 34000.0 270.1077 57000.0 END IONS BEGIN IONS SCANS=1379 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1380 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1381 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1382 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1383 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1384 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1385 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1386 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1387 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1388 PEPMASS=262.1507 CHARGE=1 COLLISION_ENERGY=0.0 60.0444 170000.0 60.0556 120000.0 70.0651 290000.0 72.0805 27000.0 82.0887 12000.0 88.0756 14000.0 112.0867 120000.0 115.0863 140000.0 116.0706 240000.0 130.0608 220000.0 130.0972 37000.0 141.9931 130000.0 157.1096 26000.0 158.0923 330000.0 158.1088 21000.0 175.1188 660000.0 176.1223 29000.0 182.0931 19000.0 202.1188 49000.0 203.102 82000.0 227.114 84000.0 232.1398 57000.0 END IONS BEGIN IONS SCANS=1389 PEPMASS=204.134 CHARGE=1 COLLISION_ENERGY=0.0 75.055 19000.0 84.0807 1600000.0 85.0838 53000.0 101.1071 71000.0 129.1021 750000.0 130.0861 440000.0 130.1055 17000.0 141.102 77000.0 147.1127 300000.0 169.0973 43000.0 170.0801 15000.0 END IONS BEGIN IONS SCANS=1390 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1391 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1392 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1393 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1394 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1395 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1396 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1397 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1398 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1399 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1400 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1401 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1402 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1403 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1404 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1405 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1406 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1407 PEPMASS=276.155 CHARGE=1 COLLISION_ENERGY=0.0 56.0495 17000.0 65.5969 13000.0 70.0651 14000.0 84.0807 3800000.0 85.0838 100000.0 86.0966 14000.0 101.1073 250000.0 112.0757 43000.0 129.1021 660000.0 130.086 220000.0 147.1127 160000.0 148.0598 74000.0 197.1295 14000.0 213.1234 82000.0 240.1336 29000.0 241.1172 24000.0 242.1026 34000.0 END IONS BEGIN IONS SCANS=1408 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1409 PEPMASS=241.0309 CHARGE=1 COLLISION_ENERGY=0.0 73.0284 870000.0 74.0059 7300000.0 74.0236 36000000.0 76.0215 670000.0 88.0391 2700000.0 92.0164 1200000.0 105.0005 980000.0 107.9932 650000.0 120.0113 86000000.0 121.0143 1300000.0 122.0269 52000000.0 136.972 2000000.0 151.9833 110000000.0 152.9855 2400000.0 153.999 7300000.0 161.039 350000.0 177.9989 4000000.0 195.0253 9200000.0 205.9933 480000.0 END IONS BEGIN IONS SCANS=1410 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1411 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1412 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1413 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1414 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1415 PEPMASS=243.0268 CHARGE=1 COLLISION_ENERGY=0.0 74.0058 700000.0 74.0236 5000000.0 75.0269 620000.0 76.0017 340000.0 76.0278 170000.0 88.0393 320000.0 120.0113 7200000.0 121.0152 1700000.0 122.0071 4200000.0 122.0266 4300000.0 123.0305 1100000.0 124.0225 2600000.0 151.9834 2700000.0 152.9859 2600000.0 153.9788 10000000.0 155.9942 700000.0 179.9947 370000.0 197.0212 740000.0 207.9894 90000.0 268.5825 55000.0 END IONS BEGIN IONS SCANS=1416 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1417 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1418 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1419 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1420 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1421 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1422 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1423 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1424 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1425 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1426 PEPMASS=303.1772 CHARGE=1 COLLISION_ENERGY=0.0 60.0556 190000.0 70.0651 590000.0 84.0443 36000.0 88.0756 28000.0 97.0758 29000.0 98.06 32000.0 112.0868 250000.0 115.0866 81000.0 116.0705 63000.0 130.0496 94000.0 140.0818 80000.0 147.0767 170000.0 154.0608 13000.0 157.1083 130000.0 158.0923 150000.0 175.1188 510000.0 176.1227 13000.0 181.0977 15000.0 209.0916 21000.0 227.1027 61000.0 241.1298 72000.0 243.1445 39000.0 244.129 110000.0 245.1133 29000.0 252.0976 71000.0 258.1548 44000.0 268.14 34000.0 269.1244 91000.0 END IONS BEGIN IONS SCANS=1427 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1428 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1429 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1430 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1431 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1432 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1433 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1434 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1435 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1436 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1437 PEPMASS=251.1661 CHARGE=2 COLLISION_ENERGY=0.0 60.0556 450000.0 70.0651 980000.0 71.0492 84000.0 71.0684 29000.0 86.0963 110000.0 88.0757 45000.0 100.0504 39000.0 112.0867 260000.0 115.0866 86000.0 116.0708 120000.0 127.0872 24000.0 140.0817 42000.0 157.1081 72000.0 158.0927 110000.0 172.1073 22000.0 173.092 39000.0 175.1188 200000.0 183.1488 120000.0 215.1139 100000.0 221.6424 110000.0 225.1703 130000.0 327.2134 73000.0 328.197 82000.0 344.2427 31000.0 345.2245 300000.0 346.2273 55000.0 355.2075 52000.0 356.213 20000.0 425.2532 22000.0 442.2781 50000.0 484.2958 18000.0 488.5402 15000.0 514.5861 16000.0 END IONS BEGIN IONS SCANS=1438 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1439 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1440 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1441 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1442 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1443 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1444 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1445 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1446 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1447 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1448 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1449 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1450 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1451 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1452 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1453 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1454 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1455 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1456 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1457 PEPMASS=275.171 CHARGE=1 COLLISION_ENERGY=0.0 72.2308 22000.0 84.0445 44000.0 84.0807 3800000.0 85.0841 82000.0 101.1072 420000.0 112.0756 67000.0 129.1021 1200000.0 130.0497 200000.0 147.0762 460000.0 147.1126 130000.0 213.1224 21000.0 222.1238 24000.0 240.1344 99000.0 241.1189 51000.0 END IONS BEGIN IONS SCANS=1458 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1459 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1460 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1461 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1462 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1463 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1464 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1465 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1466 PEPMASS=263.0128 CHARGE=1 COLLISION_ENERGY=0.0 60.0443 150000.0 60.0556 100000.0 70.0651 190000.0 70.0698 13000.0 72.0808 25000.0 112.0868 83000.0 115.0863 100000.0 116.0705 150000.0 130.061 180000.0 141.9932 140000.0 144.0088 54000.0 157.1084 21000.0 158.0923 270000.0 159.0955 21000.0 175.1189 420000.0 176.1219 35000.0 199.1193 25000.0 203.1025 69000.0 227.114 45000.0 228.098 25000.0 232.1403 31000.0 END IONS BEGIN IONS SCANS=1467 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1468 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1469 PEPMASS=278.9866 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1470 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1471 PEPMASS=396.2363 CHARGE=2 COLLISION_ENERGY=0.0 84.0442 13000.0 84.0807 410000.0 85.0842 18000.0 102.0547 36000.0 102.0915 21000.0 120.0807 27000.0 129.1021 80000.0 130.0858 22000.0 147.1129 68000.0 226.1544 42000.0 231.149 77000.0 232.1525 12000.0 244.1657 120000.0 245.1689 13000.0 259.1437 59000.0 260.1484 11000.0 318.2182 36000.0 345.2145 17000.0 366.6994 34000.0 374.2231 19000.0 419.2642 14000.0 447.2599 75000.0 448.2646 19000.0 489.2305 12000.0 504.2803 25000.0 520.3132 25000.0 521.3181 12000.0 530.299 14000.0 548.308 75000.0 549.3084 29000.0 621.3245 22000.0 END IONS BEGIN IONS SCANS=1472 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1473 PEPMASS=234.1447 CHARGE=1 COLLISION_ENERGY=0.0 60.0443 480000.0 84.0807 2100000.0 85.084 57000.0 101.1072 270000.0 129.1021 1800000.0 130.0861 1200000.0 130.104 66000.0 147.1126 1200000.0 148.1157 37000.0 153.1024 17000.0 163.0863 20000.0 171.1125 110000.0 181.0973 27000.0 198.1236 43000.0 199.1073 130000.0 204.134 13000.0 END IONS BEGIN IONS SCANS=1474 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1475 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1476 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1477 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1478 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1479 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1480 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1481 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1482 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1483 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1484 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1485 PEPMASS=261.1556 CHARGE=1 COLLISION_ENERGY=0.0 70.0287 18000.0 70.0651 25000.0 84.0807 940000.0 85.084 25000.0 87.0552 190000.0 88.0392 85000.0 101.1072 100000.0 111.0915 64000.0 129.1021 1700000.0 130.0862 430000.0 130.1048 64000.0 147.1127 470000.0 156.1127 19000.0 157.0969 280000.0 167.0813 23000.0 184.1079 180000.0 185.0919 16000.0 198.1236 71000.0 209.0918 560000.0 210.0968 36000.0 226.1187 270000.0 227.0994 55000.0 END IONS BEGIN IONS SCANS=1486 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1487 PEPMASS=289.1616 CHARGE=1 COLLISION_ENERGY=0.0 60.0555 180000.0 70.0651 690000.0 87.0549 20000.0 88.0393 19000.0 88.0755 28000.0 97.0759 21000.0 112.0868 210000.0 114.1026 24000.0 115.0864 71000.0 116.0704 47000.0 133.061 45000.0 140.0815 67000.0 157.1081 99000.0 158.0923 85000.0 175.1188 410000.0 183.1248 20000.0 195.0763 36000.0 196.0714 14000.0 200.1509 78000.0 212.1028 33000.0 213.0863 110000.0 230.113 80000.0 231.0982 29000.0 238.0824 34000.0 254.1249 21000.0 255.1086 140000.0 END IONS BEGIN IONS SCANS=1488 PEPMASS=182.9849 CHARGE=1 COLLISION_ENERGY=0.0 97.9687 13000.0 113.9636 44000.0 131.9743 12000.0 141.9586 11000.0 159.9693 12000.0 END IONS BEGIN IONS SCANS=1489 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1490 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1491 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1492 PEPMASS=304.0269 CHARGE=1 COLLISION_ENERGY=0.0 156.0508 11000.0 182.0296 22000.0 193.9791 44000.0 200.0401 16000.0 263.0004 19000.0 281.011 61000.0 END IONS BEGIN IONS SCANS=1493 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1494 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1495 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1496 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1497 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1498 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1499 PEPMASS=151.0351 CHARGE=1 COLLISION_ENERGY=0.0 68.9822 20000.0 74.0236 36000.0 82.0137 42000.0 86.9927 35000.0 100.0243 80000.0 105.0032 34000.0 110.0085 72000.0 128.0191 380000.0 129.0202 45000.0 END IONS BEGIN IONS SCANS=1500 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1501 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1502 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1503 PEPMASS=278.9867 CHARGE=1 COLLISION_ENERGY=0.0 70.065 24000.0 86.0963 15000.0 197.1034 13000.0 END IONS BEGIN IONS SCANS=1504 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1505 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1506 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1507 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1508 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1509 PEPMASS=304.0269 CHARGE=1 COLLISION_ENERGY=0.0 70.0649 12000.0 156.0507 24000.0 175.1187 11000.0 182.0298 46000.0 193.9791 110000.0 200.0405 30000.0 201.9833 10000.0 211.9884 13000.0 216.9949 10000.0 219.0106 23000.0 263.0003 50000.0 281.011 140000.0 282.0128 14000.0 END IONS BEGIN IONS SCANS=1510 PEPMASS=151.0351 CHARGE=1 COLLISION_ENERGY=0.0 68.9821 32000.0 74.0237 93000.0 82.0137 58000.0 86.9927 53000.0 100.0243 100000.0 105.0032 47000.0 110.0087 130000.0 128.0192 540000.0 129.0203 60000.0 END IONS BEGIN IONS SCANS=1511 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1512 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1513 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1514 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1515 PEPMASS=376.2189 CHARGE=1 COLLISION_ENERGY=0.0 74.0599 170000.0 84.0442 22000.0 84.0806 78000.0 88.0391 43000.0 101.0709 16000.0 119.0813 270000.0 120.0111 13000.0 129.102 120000.0 130.0861 64000.0 147.1125 130000.0 169.0606 12000.0 178.0502 15000.0 195.0763 68000.0 202.1187 18000.0 203.1011 11000.0 212.1019 16000.0 230.1133 140000.0 239.1491 13000.0 240.1333 23000.0 255.9776 12000.0 257.1605 39000.0 258.1444 70000.0 275.1705 20000.0 323.1712 22000.0 END IONS BEGIN IONS SCANS=1516 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1517 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1518 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1519 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1520 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1521 PEPMASS=473.3445 CHARGE=1 COLLISION_ENERGY=0.0 72.0807 33000.0 84.0807 170000.0 101.1072 35000.0 129.1021 240000.0 130.0861 31000.0 147.1127 94000.0 171.1492 16000.0 183.1489 72000.0 200.1752 12000.0 210.1595 13000.0 228.1707 29000.0 246.1811 100000.0 299.2457 11000.0 309.2281 15000.0 327.2387 25000.0 345.2501 28000.0 END IONS BEGIN IONS SCANS=1522 PEPMASS=298.0525 CHARGE=1 COLLISION_ENERGY=0.0 70.0651 15000.0 84.0445 11000.0 85.0396 11000.0 92.0162 16000.0 112.0391 21000.0 122.0269 88000.0 130.0497 120000.0 131.0447 47000.0 145.0609 13000.0 151.9834 20000.0 177.0327 260000.0 179.0484 17000.0 195.0251 13000.0 235.0206 41000.0 END IONS BEGIN IONS SCANS=1523 PEPMASS=173.1341 CHARGE=2 COLLISION_ENERGY=0.0 60.0807 20000.0 70.0652 15000.0 84.0807 74000.0 143.5971 24000.0 END IONS BEGIN IONS SCANS=1524 PEPMASS=427.0953 CHARGE=1 COLLISION_ENERGY=0.0 84.0443 48000.0 92.0165 16000.0 99.0551 10000.0 112.0394 35000.0 120.011 11000.0 122.0269 170000.0 130.0497 260000.0 131.0441 45000.0 145.0607 43000.0 153.9991 30000.0 177.0327 370000.0 177.999 29000.0 179.0484 39000.0 195.026 48000.0 199.0712 41000.0 209.0048 12000.0 231.0432 270000.0 232.0455 14000.0 235.0204 110000.0 257.0758 16000.0 288.0642 15000.0 298.0525 230000.0 299.0546 19000.0 352.0634 23000.0 END IONS BEGIN IONS SCANS=1525 PEPMASS=182.9849 CHARGE=1 COLLISION_ENERGY=0.0 113.9636 23000.0 END IONS BEGIN IONS SCANS=1526 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1527 PEPMASS=167.0127 CHARGE=1 COLLISION_ENERGY=0.0 84.9596 170000.0 102.9701 37000.0 120.0806 17000.0 125.9862 20000.0 143.9967 25000.0 END IONS BEGIN IONS SCANS=1528 PEPMASS=255.944 CHARGE=1 COLLISION_ENERGY=0.0 84.9596 54000.0 158.9277 58000.0 176.9382 22000.0 186.9227 42000.0 204.9333 40000.0 214.9176 40000.0 222.9439 11000.0 232.9281 140000.0 END IONS BEGIN IONS SCANS=1529 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1530 PEPMASS=385.9017 CHARGE=1 COLLISION_ENERGY=0.0 214.9174 21000.0 232.9279 46000.0 250.9389 14000.0 END IONS BEGIN IONS SCANS=1531 PEPMASS=143.9967 CHARGE=1 COLLISION_ENERGY=0.0 84.9597 22000.0 121.9661 62000.0 END IONS BEGIN IONS SCANS=1532 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1533 PEPMASS=125.9862 CHARGE=1 COLLISION_ENERGY=0.0 56.9647 28000.0 84.9596 2400000.0 85.9629 11000.0 102.9701 190000.0 END IONS BEGIN IONS SCANS=1534 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1535 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1536 PEPMASS=282.9048 CHARGE=1 COLLISION_ENERGY=0.0 232.9278 25000.0 END IONS BEGIN IONS SCANS=1537 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1538 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1539 PEPMASS=491.7875 CHARGE=2 COLLISION_ENERGY=0.0 110.0713 15000.0 197.1283 13000.0 355.2218 16000.0 369.2193 18000.0 411.7644 19000.0 425.761 31000.0 426.2625 13000.0 END IONS BEGIN IONS SCANS=1540 PEPMASS=167.0127 CHARGE=1 COLLISION_ENERGY=0.0 84.9596 31000.0 120.0806 19000.0 END IONS BEGIN IONS SCANS=1541 PEPMASS=241.0309 CHARGE=1 COLLISION_ENERGY=0.0 74.0236 22000.0 120.0113 53000.0 122.0269 30000.0 151.9834 61000.0 END IONS BEGIN IONS SCANS=1542 PEPMASS=125.9861 CHARGE=1 COLLISION_ENERGY=0.0 84.9596 360000.0 102.9702 68000.0 END IONS BEGIN IONS SCANS=1543 PEPMASS=241.0309 CHARGE=1 COLLISION_ENERGY=0.0 74.0237 19000.0 120.0113 45000.0 122.0269 27000.0 151.9833 54000.0 END IONS BEGIN IONS SCANS=1544 PEPMASS=125.9861 CHARGE=1 COLLISION_ENERGY=0.0 84.9596 330000.0 102.9702 61000.0 END IONS BEGIN IONS SCANS=1545 PEPMASS=125.9861 CHARGE=1 COLLISION_ENERGY=0.0 84.9596 340000.0 102.9702 63000.0 END IONS BEGIN IONS SCANS=1546 PEPMASS=167.0127 CHARGE=1 COLLISION_ENERGY=0.0 84.9596 26000.0 120.0805 20000.0 END IONS BEGIN IONS SCANS=1547 PEPMASS=241.0309 CHARGE=1 COLLISION_ENERGY=0.0 74.0236 25000.0 120.0112 55000.0 122.0269 35000.0 151.9834 61000.0 END IONS BEGIN IONS SCANS=1548 PEPMASS=241.031 CHARGE=1 COLLISION_ENERGY=0.0 74.0236 26000.0 120.0113 60000.0 122.027 38000.0 151.9834 75000.0 END IONS BEGIN IONS SCANS=1549 PEPMASS=241.0309 CHARGE=1 COLLISION_ENERGY=0.0 74.0056 14000.0 74.0236 60000.0 120.0113 140000.0 122.0269 82000.0 151.9833 140000.0 153.9992 11000.0 195.0252 17000.0 END IONS BEGIN IONS SCANS=1550 PEPMASS=125.9861 CHARGE=1 COLLISION_ENERGY=0.0 84.9596 290000.0 102.9702 55000.0 END IONS BEGIN IONS SCANS=1551 PEPMASS=125.9861 CHARGE=1 COLLISION_ENERGY=0.0 84.9597 300000.0 102.9702 46000.0 END IONS nf_output/clustering/specs_ms.mgf0000644000000000000000000054052714777454540016323 0ustar rootrootBEGIN IONS FEATURE_ID=1 PEPMASS=124.0867 SCANS=1 RTINSECONDS=53.047 CHARGE=1+ MSLEVEL=2 42.0338 6.2E4 83.0604 1.8E4 123.0552 3.7E4 123.0915 5.2E4 124.0391 1.4E4 124.0869 7.8E5 125.0909 2.8E4 END IONS BEGIN IONS FEATURE_ID=2 PEPMASS=709.5136 SCANS=2 RTINSECONDS=55.662 CHARGE=1+ MSLEVEL=2 307.1097 1.5E4 327.0779 1.2E5 328.0803 2.9E4 383.1405 3.0E5 384.1435 1.0E5 439.2029 5.6E5 440.2064 2.6E5 441.2100 2.9E4 495.2656 9.7E5 496.2691 5.7E5 497.2731 6.8E4 551.3281 4.7E5 552.3314 3.3E5 552.4420 1.1E4 553.3339 3.8E4 607.3906 2.9E5 608.3940 2.8E5 609.3961 4.0E4 663.4549 1.0E5 664.4556 1.2E5 665.4580 2.3E4 END IONS BEGIN IONS FEATURE_ID=3 PEPMASS=708.5103 SCANS=3 RTINSECONDS=55.713 CHARGE=1+ MSLEVEL=2 147.1175 1.3E4 251.0472 1.5E4 307.1101 1.5E4 327.0335 1.1E4 327.0780 1.4E5 328.0805 1.5E4 363.1712 1.2E4 383.1405 4.2E5 384.1440 5.6E4 439.2030 8.9E5 440.2065 1.4E5 495.2656 1.7E6 496.2689 3.3E5 551.3284 9.8E5 552.3314 2.3E5 607.3906 7.5E5 608.3947 2.2E5 663.4531 3.4E5 664.4559 1.0E5 END IONS BEGIN IONS FEATURE_ID=4 PEPMASS=680.4788 SCANS=4 RTINSECONDS=56.528 CHARGE=1+ MSLEVEL=2 383.1391 1.0E4 439.2023 2.3E4 495.2653 4.0E4 496.2702 1.3E4 551.3271 2.5E4 607.3926 1.8E4 END IONS BEGIN IONS FEATURE_ID=5 PEPMASS=663.4525 SCANS=5 RTINSECONDS=56.551 CHARGE=1+ MSLEVEL=2 91.0541 1.4E4 147.1168 4.2E4 251.0467 6.3E4 307.1091 5.1E4 327.0776 6.0E5 328.0811 6.8E4 363.1717 2.4E4 383.1403 1.2E6 384.1437 1.8E5 439.2029 1.9E6 440.2063 3.4E5 495.2655 3.1E6 496.2690 6.6E5 551.3281 1.5E6 552.3314 3.7E5 607.3905 5.6E5 608.3942 1.6E5 663.4529 7.3E4 664.4566 2.8E4 END IONS BEGIN IONS FEATURE_ID=8 PEPMASS=124.0867 SCANS=8 RTINSECONDS=58.551 CHARGE=1+ MSLEVEL=2 83.0602 1.1E4 123.0551 5.3E4 123.0915 6.1E4 124.0401 1.6E4 124.0869 6.1E5 125.0909 2.4E4 END IONS BEGIN IONS FEATURE_ID=13 PEPMASS=338.3410 SCANS=13 RTINSECONDS=56.951 CHARGE=1+ MSLEVEL=2 55.0542 5.2E4 57.0698 1.3E5 67.0543 3.1E4 69.0699 1.3E5 71.0855 8.2E4 81.0698 7.4E4 83.0854 1.7E5 85.1011 4.5E4 86.0599 3.1E4 93.0696 3.4E4 95.0855 1.0E5 97.0649 3.7E4 97.1011 1.7E5 100.0756 6.3E4 107.0858 4.0E4 109.1011 7.2E4 111.0803 4.4E4 111.1166 9.1E4 114.0912 5.6E4 121.1010 5.9E4 123.1169 3.0E4 125.0957 4.1E4 125.1324 2.3E4 128.1069 3.4E4 135.1167 7.5E4 137.1323 1.6E4 139.1115 3.1E4 142.1224 2.7E4 149.1325 5.1E4 153.1274 2.1E4 156.1381 1.6E4 163.1483 2.8E4 167.1438 1.3E4 170.1537 1.1E4 177.1640 1.9E4 191.1789 1.3E4 198.1849 1.0E4 254.2477 1.1E4 303.3047 5.8E4 304.3063 1.1E4 321.3149 6.1E4 338.3419 1.8E5 339.3460 2.9E4 END IONS BEGIN IONS FEATURE_ID=14 PEPMASS=228.1953 SCANS=14 RTINSECONDS=56.925 CHARGE=1+ MSLEVEL=2 55.0542 3.5E4 67.0542 5.1E4 69.0698 3.9E4 81.0698 9.0E4 83.0855 8.0E4 85.0648 1.2E4 93.0699 2.4E4 95.0855 2.2E5 96.0888 1.3E4 97.0650 1.6E4 97.1011 5.9E4 105.0701 1.1E4 107.0855 1.7E4 109.1011 1.3E5 111.0806 1.8E4 119.0857 2.6E4 121.1012 1.1E4 123.1166 2.0E4 133.1012 3.0E4 135.1170 1.1E4 137.0954 1.8E4 147.1164 1.7E4 149.1321 1.3E4 151.1478 1.7E4 175.1480 8.7E4 193.1588 3.7E4 210.1841 1.6E4 211.1696 1.4E4 END IONS BEGIN IONS FEATURE_ID=15 PEPMASS=431.3836 SCANS=15 RTINSECONDS=56.871 CHARGE=1+ MSLEVEL=2 81.0698 2.0E4 83.0856 1.2E4 95.0854 2.3E4 107.0853 1.0E4 432.2307 1.8E4 END IONS BEGIN IONS FEATURE_ID=16 PEPMASS=171.1488 SCANS=16 RTINSECONDS=58.11 CHARGE=1+ MSLEVEL=2 46.0651 2.2E4 72.0442 1.5E4 89.0709 2.4E4 171.1493 4.5E4 END IONS BEGIN IONS FEATURE_ID=18 PEPMASS=392.2538 SCANS=18 RTINSECONDS=57.083 CHARGE=1+ MSLEVEL=2 55.6346 1.2E4 57.0698 3.3E6 58.0731 4.8E4 63.1110 2.5E4 88.0737 1.3E4 102.0912 1.1E5 106.7284 1.3E4 123.0550 4.0E4 124.0384 1.4E4 126.0547 1.8E4 178.0387 1.6E4 181.0183 1.5E4 207.1127 1.2E6 208.1165 6.6E4 208.1420 1.8E4 209.1282 4.2E5 210.1123 4.8E4 218.1281 7.8E4 219.1133 7.0E4 224.1392 7.3E5 225.1195 2.1E4 225.1450 6.7E4 234.1250 5.9E4 274.1937 1.8E4 275.1756 1.3E5 290.1866 1.7E5 291.1669 2.2E4 291.2013 1.8E4 292.1605 2.2E4 292.2020 6.4E5 293.1859 1.0E6 302.1862 1.5E6 308.1967 4.1E6 309.1997 4.7E5 318.1835 9.5E4 343.2227 1.6E4 358.2487 3.1E5 374.2436 1.8E6 375.2469 2.8E5 376.2595 3.1E7 391.2765 1.5E4 392.2539 7.6E5 393.2570 1.1E5 394.2696 1.2E5 END IONS BEGIN IONS FEATURE_ID=19 PEPMASS=144.9818 SCANS=19 RTINSECONDS=57.952 CHARGE=1+ MSLEVEL=2 62.9290 2.2E4 103.9556 2.4E4 121.9661 3.3E5 144.9821 5.3E4 END IONS BEGIN IONS FEATURE_ID=24 PEPMASS=394.2890 SCANS=24 RTINSECONDS=57.979 CHARGE=1+ MSLEVEL=2 57.0699 1.0E6 81.1454 1.1E5 81.6586 1.2E5 106.7929 9.5E4 161.6604 1.0E5 209.1289 6.6E5 275.1759 2.3E5 292.2013 8.5E5 293.1837 1.3E6 294.1901 4.9E5 302.1861 2.0E6 303.1894 7.7E5 308.1954 1.2E5 309.1983 2.8E5 358.2497 3.0E5 359.2527 2.1E5 375.2494 1.4E5 376.2594 3.3E7 377.2627 1.7E7 378.2652 1.9E6 394.2691 3.1E5 395.2721 1.3E5 END IONS BEGIN IONS FEATURE_ID=25 PEPMASS=393.2856 SCANS=25 RTINSECONDS=57.979 CHARGE=1+ MSLEVEL=2 57.0698 2.8E6 59.9988 9.9E4 61.5599 8.7E4 78.3098 1.1E5 82.9206 9.7E4 102.0914 1.3E5 102.9843 1.3E5 159.2303 1.1E5 207.1125 5.4E5 208.1166 1.1E5 209.1284 1.1E6 210.1129 1.3E5 218.1287 1.7E5 224.1386 2.9E5 275.1758 2.6E5 292.2021 1.2E6 293.1857 2.7E6 294.1902 2.2E5 302.1862 3.8E6 303.1899 4.4E5 308.1967 2.1E6 309.1990 5.3E5 358.2486 7.4E5 374.2430 9.6E5 375.2455 5.7E5 376.2593 8.0E7 377.2628 1.1E7 377.3095 2.2E5 392.2551 3.6E5 393.2558 1.5E5 394.2702 6.7E5 395.2716 1.9E5 END IONS BEGIN IONS FEATURE_ID=27 PEPMASS=377.2624 SCANS=27 RTINSECONDS=58.11 CHARGE=1+ MSLEVEL=2 57.0698 1.2E7 58.0731 9.0E5 58.0764 8.2E4 63.1368 1.1E5 70.8596 5.2E4 84.0806 1.3E5 102.0910 1.2E5 108.0441 9.4E4 125.0708 6.9E5 126.0549 9.8E5 126.0740 7.9E4 127.0384 5.3E4 127.0586 1.2E5 135.0552 9.0E4 174.0910 5.5E4 181.1436 5.2E4 181.1611 8.5E4 191.1180 1.9E5 192.1016 1.8E5 208.1442 7.6E5 209.1282 8.3E6 210.1117 8.2E5 210.1319 1.5E6 211.1156 1.8E5 218.1287 2.2E6 219.1123 1.0E6 219.1330 4.3E5 220.1146 2.4E5 228.1119 1.1E5 240.7002 5.2E4 251.8508 5.6E4 257.1644 7.2E4 260.1530 5.2E4 274.1918 5.4E5 275.1747 3.5E6 276.1783 1.1E6 277.1847 5.5E4 291.1982 1.1E5 292.2017 9.7E6 293.1826 9.6E6 294.1887 3.5E6 295.1942 2.6E5 302.1861 1.9E7 303.1893 6.5E6 304.1918 4.0E5 343.2260 3.6E5 344.2277 1.8E5 348.2642 7.1E4 358.2487 2.4E6 359.2524 1.2E6 376.2596 1.3E8 377.2626 6.6E7 378.2651 5.5E6 394.2694 5.4E5 395.2762 2.3E5 END IONS BEGIN IONS FEATURE_ID=34 PEPMASS=376.2590 SCANS=34 RTINSECONDS=58.365 CHARGE=1+ MSLEVEL=2 52.2616 4.4E5 55.2401 4.2E5 57.0698 1.7E7 87.0875 3.7E5 125.0709 4.5E5 126.0549 1.2E6 139.1772 3.7E5 172.2729 4.1E5 172.3360 3.7E5 205.3004 4.1E5 208.1437 5.9E5 209.1280 1.1E7 210.1114 9.6E5 213.3723 4.2E5 216.7059 4.4E5 218.1286 3.0E6 219.1126 1.5E6 274.1935 6.5E5 275.1741 4.8E6 275.2079 4.4E5 276.1783 6.9E5 292.2020 1.6E7 293.1847 1.6E7 294.1892 1.5E6 302.1862 2.9E7 303.1896 3.3E6 358.2484 4.1E6 359.2514 6.9E5 376.2594 2.5E8 377.2627 3.7E7 394.2698 2.2E6 END IONS BEGIN IONS FEATURE_ID=38 PEPMASS=421.3166 SCANS=38 RTINSECONDS=58.678 CHARGE=1+ MSLEVEL=2 54.8423 3.8E4 57.0698 4.4E5 67.3604 3.3E4 80.3647 3.4E4 202.0641 3.8E4 209.1283 3.7E5 210.1112 4.8E4 218.1297 4.2E4 219.1127 3.6E4 275.1755 1.3E5 292.2018 5.3E5 293.1848 7.3E5 294.1876 1.1E5 302.1860 1.3E6 303.1898 1.9E5 310.4553 3.9E4 358.2491 2.2E5 359.2534 4.0E4 376.2592 2.6E7 377.2626 4.2E6 381.0991 3.7E4 394.2701 1.6E5 404.2905 1.1E5 421.3176 2.2E5 422.3147 3.5E4 END IONS BEGIN IONS FEATURE_ID=39 PEPMASS=88.0755 SCANS=39 RTINSECONDS=58.768 CHARGE=1+ MSLEVEL=2 43.0179 2.2E4 46.0651 1.6E5 70.0651 2.1E4 88.0214 1.2E4 88.0757 1.3E6 89.0790 2.1E4 END IONS BEGIN IONS FEATURE_ID=53 PEPMASS=124.0867 SCANS=53 RTINSECONDS=59.59 CHARGE=1+ MSLEVEL=2 123.0552 6.3E4 123.0915 6.2E4 124.0402 1.9E4 124.0868 5.8E5 125.0908 1.8E4 END IONS BEGIN IONS FEATURE_ID=56 PEPMASS=377.2624 SCANS=56 RTINSECONDS=58.311 CHARGE=1+ MSLEVEL=2 57.0699 2.1E6 58.0731 1.5E5 84.0808 1.9E4 102.0911 1.7E4 108.0442 1.5E4 125.0708 1.3E5 126.0549 1.9E5 126.0743 1.5E4 127.0585 2.1E4 191.1182 4.1E4 192.1018 1.1E4 208.1443 1.6E5 209.1282 1.2E6 210.1116 1.1E5 210.1320 2.4E5 211.1135 2.5E4 211.1356 1.3E4 218.1287 4.3E5 219.1125 1.4E5 219.1329 8.2E4 220.1153 4.4E4 228.1123 1.6E4 260.1508 1.7E4 274.1916 8.2E4 275.1746 5.9E5 276.1783 2.2E5 277.1809 1.0E4 292.2018 1.3E6 293.1876 8.2E5 294.1883 3.7E5 295.1936 2.6E4 302.1862 2.1E6 303.1893 8.4E5 304.1922 5.9E4 343.2260 5.5E4 344.2271 3.0E4 358.2485 1.5E5 359.2523 9.1E4 376.2595 6.1E6 377.2625 3.4E6 378.2654 3.2E5 394.2683 2.4E4 395.2728 1.1E4 END IONS BEGIN IONS FEATURE_ID=59 PEPMASS=432.2373 SCANS=59 RTINSECONDS=60.678 CHARGE=1+ MSLEVEL=2 57.0335 2.2E4 61.0285 1.9E4 69.0291 1.2E4 69.0335 1.5E5 81.0336 2.7E4 83.0491 5.1E4 85.0283 5.1E4 87.0439 1.1E4 91.0389 2.0E4 93.0698 6.4E4 99.0441 2.0E4 105.0698 1.6E6 106.0731 8.8E4 111.0442 7.8E4 119.0496 3.8E4 121.0648 6.3E5 122.0682 3.0E4 129.0546 1.2E5 147.0653 7.8E4 267.1222 2.9E4 387.1818 1.9E4 END IONS BEGIN IONS FEATURE_ID=62 PEPMASS=421.3166 SCANS=62 RTINSECONDS=58.553 CHARGE=1+ MSLEVEL=2 57.0697 6.5E4 209.1281 4.7E4 275.1768 1.5E4 292.2018 7.4E4 293.1855 1.4E5 294.1881 1.6E4 302.1862 1.6E5 303.1890 2.1E4 358.2486 5.0E4 376.2597 6.9E6 377.2627 1.0E6 394.2697 3.6E4 404.2914 4.6E4 421.3166 5.8E4 422.3069 1.4E4 END IONS BEGIN IONS FEATURE_ID=63 PEPMASS=387.1795 SCANS=63 RTINSECONDS=61.049 CHARGE=1+ MSLEVEL=2 105.0699 2.9E6 106.0731 1.5E5 119.0492 4.6E4 175.0152 1.1E4 388.2601 2.5E4 END IONS BEGIN IONS FEATURE_ID=64 PEPMASS=404.2060 SCANS=64 RTINSECONDS=61.049 CHARGE=1+ MSLEVEL=2 91.0543 1.3E4 105.0696 2.4E4 404.2905 1.3E4 END IONS BEGIN IONS FEATURE_ID=66 PEPMASS=88.0755 SCANS=66 RTINSECONDS=59.308 CHARGE=1+ MSLEVEL=2 43.0178 1.3E4 46.0651 7.6E4 70.0651 1.6E4 87.0917 1.1E4 88.0757 5.9E5 END IONS BEGIN IONS FEATURE_ID=67 PEPMASS=394.2889 SCANS=67 RTINSECONDS=59.053 CHARGE=1+ MSLEVEL=2 57.0698 1.0E5 209.1281 6.4E4 210.1329 1.5E4 218.1290 1.2E4 275.1762 1.7E4 292.2019 9.0E4 293.1827 1.1E5 294.1892 4.5E4 302.1861 1.8E5 303.1894 7.6E4 309.1994 1.7E4 348.2259 1.4E4 349.2311 1.0E4 358.2487 3.4E4 359.2533 1.8E4 376.2596 4.7E6 377.2627 2.9E6 378.2654 2.8E5 394.2697 2.9E4 394.3336 1.0E4 395.2772 1.9E4 END IONS BEGIN IONS FEATURE_ID=68 PEPMASS=351.2385 SCANS=68 RTINSECONDS=61.269 CHARGE=1+ MSLEVEL=2 334.2113 2.7E4 351.2141 7.7E4 352.2158 1.1E4 END IONS BEGIN IONS FEATURE_ID=70 PEPMASS=393.2855 SCANS=70 RTINSECONDS=59.334 CHARGE=1+ MSLEVEL=2 57.0698 3.9E5 58.0732 1.9E4 89.0594 1.0E4 125.0704 1.0E4 126.0551 1.5E4 207.1129 2.9E4 208.1441 1.3E4 209.1282 2.7E5 210.1122 2.5E4 210.1330 1.6E4 218.1286 4.2E4 219.1124 2.4E4 224.1396 2.2E4 274.1905 1.2E4 275.1752 8.2E4 291.1961 1.0E4 292.2017 3.9E5 293.1848 5.1E5 294.1892 6.6E4 302.1861 8.1E5 303.1893 1.0E5 308.1969 8.0E4 309.1988 4.4E4 343.2280 1.4E4 348.2268 5.9E4 358.2489 1.4E5 359.2526 2.5E4 374.2402 3.5E4 375.2473 2.6E4 376.2595 1.2E7 377.2625 2.0E6 394.2697 7.5E4 395.2710 1.1E4 END IONS BEGIN IONS FEATURE_ID=73 PEPMASS=376.2589 SCANS=73 RTINSECONDS=59.723 CHARGE=1+ MSLEVEL=2 57.0698 1.2E6 89.5115 1.1E5 93.8856 1.0E5 99.4856 1.0E5 105.4192 1.0E5 130.8210 1.1E5 137.5518 1.1E5 209.1286 1.0E6 218.1290 2.1E5 219.1122 1.9E5 275.1746 3.1E5 292.2017 1.5E6 293.1850 2.2E6 294.1892 2.5E5 302.1861 3.3E6 303.1892 2.7E5 326.9111 1.1E5 358.2498 5.9E5 376.2593 5.4E7 377.2626 8.2E6 394.2687 3.1E5 395.2671 1.2E5 END IONS BEGIN IONS FEATURE_ID=74 PEPMASS=288.2529 SCANS=74 RTINSECONDS=62.575 CHARGE=1+ MSLEVEL=2 70.0651 1.6E4 88.0756 1.4E5 106.0862 2.4E5 227.2004 6.1E4 288.2527 2.5E4 END IONS BEGIN IONS FEATURE_ID=75 PEPMASS=331.0808 SCANS=75 RTINSECONDS=62.436 CHARGE=1+ MSLEVEL=2 270.0528 2.4E4 315.0498 6.7E4 316.0567 3.1E4 331.0810 3.7E5 332.0849 4.7E4 END IONS BEGIN IONS FEATURE_ID=77 PEPMASS=326.3776 SCANS=77 RTINSECONDS=63.455 CHARGE=1+ MSLEVEL=2 57.0698 6.3E4 58.0651 3.3E4 71.0853 1.8E4 85.1012 2.4E4 184.2062 2.1E4 186.2215 3.5E5 187.2241 3.6E4 326.3781 5.9E6 327.3813 8.8E5 END IONS BEGIN IONS FEATURE_ID=78 PEPMASS=171.1489 SCANS=78 RTINSECONDS=62.92 CHARGE=1+ MSLEVEL=2 46.0651 1.2E5 72.0443 9.6E4 83.0855 2.9E4 89.0709 1.5E5 171.1492 2.6E5 172.0752 1.1E4 172.1530 1.3E4 END IONS BEGIN IONS FEATURE_ID=79 PEPMASS=327.3811 SCANS=79 RTINSECONDS=63.551 CHARGE=1+ MSLEVEL=2 57.0698 3.7E4 58.0650 1.4E4 71.0855 1.6E4 184.2059 1.6E4 186.2215 1.9E5 187.2245 3.8E4 326.3780 2.1E6 327.3813 1.1E6 328.3846 9.0E4 END IONS BEGIN IONS FEATURE_ID=80 PEPMASS=163.1326 SCANS=80 RTINSECONDS=64.938 CHARGE=1+ MSLEVEL=2 121.1010 1.1E4 163.1479 1.8E4 END IONS BEGIN IONS FEATURE_ID=81 PEPMASS=393.2854 SCANS=81 RTINSECONDS=61.098 CHARGE=1+ MSLEVEL=2 57.0698 1.3E4 292.2005 1.1E4 293.1853 1.3E4 302.1859 1.9E4 376.2591 3.7E5 377.2623 6.5E4 393.2213 1.1E4 END IONS BEGIN IONS FEATURE_ID=83 PEPMASS=244.1904 SCANS=83 RTINSECONDS=65.842 CHARGE=1+ MSLEVEL=2 81.0698 2.2E4 83.0855 2.1E4 95.0855 1.6E4 97.1009 1.8E4 107.0853 1.4E4 121.1008 1.3E4 163.1479 3.8E4 173.1324 1.3E4 180.1746 5.9E4 181.1585 1.7E4 198.1849 1.6E4 208.1696 1.2E4 226.1800 1.7E5 227.1851 1.0E4 END IONS BEGIN IONS FEATURE_ID=84 PEPMASS=226.1799 SCANS=84 RTINSECONDS=65.887 CHARGE=1+ MSLEVEL=2 55.0178 1.2E4 55.0542 7.3E4 57.0335 1.2E4 57.0698 6.8E4 67.0542 6.8E4 69.0698 9.9E4 71.0490 1.8E4 71.0854 3.8E4 72.0805 1.4E4 79.0542 3.5E4 81.0698 2.1E5 83.0490 1.2E4 83.0854 2.3E5 85.0648 3.2E4 85.1009 1.1E4 86.0600 3.1E4 86.0960 1.4E4 93.0698 7.4E4 95.0854 1.8E5 96.0805 2.2E4 97.0648 6.2E4 97.1011 1.6E5 99.0803 1.4E4 100.0756 6.1E4 107.0854 1.6E5 109.1011 4.3E4 110.0964 3.4E4 111.0803 7.3E4 111.1165 1.1E4 114.0912 6.0E4 121.1011 1.3E5 123.1168 2.9E4 124.1120 7.5E4 125.0958 3.7E4 128.1066 2.8E4 131.0854 3.0E4 135.1167 3.3E4 138.1277 5.0E4 139.1119 1.4E4 139.1478 1.2E4 142.1227 1.5E4 147.1167 1.4E4 149.1329 1.7E4 156.1741 1.4E4 163.1480 2.9E5 164.1517 1.9E4 173.1322 6.6E4 180.1746 4.7E5 181.1585 1.1E5 181.1777 2.9E4 190.1586 2.8E4 191.1422 1.6E4 198.1853 1.1E5 208.1693 6.2E4 209.1532 1.6E4 226.1801 6.0E5 227.0813 1.3E4 227.1631 2.5E4 227.1876 3.7E4 END IONS BEGIN IONS FEATURE_ID=85 PEPMASS=266.1723 SCANS=85 RTINSECONDS=65.921 CHARGE=1+ MSLEVEL=2 266.1726 3.8E5 267.1779 2.4E4 END IONS BEGIN IONS FEATURE_ID=86 PEPMASS=227.1831 SCANS=86 RTINSECONDS=65.927 CHARGE=1+ MSLEVEL=2 55.0542 2.2E4 57.0699 1.9E4 67.0541 1.8E4 69.0699 2.8E4 79.0540 1.1E4 81.0698 5.6E4 83.0854 6.8E4 86.0600 1.0E4 93.0698 2.1E4 95.0855 5.2E4 97.0647 1.9E4 97.1010 4.0E4 100.0756 1.7E4 107.0854 3.5E4 109.1011 1.5E4 111.0803 1.6E4 114.0911 1.8E4 121.1011 3.6E4 124.1117 1.6E4 125.0956 1.1E4 135.1167 1.0E4 163.1479 6.5E4 164.1515 1.5E4 173.1324 1.8E4 180.1745 1.0E5 181.1587 1.6E4 181.1781 2.6E4 198.1850 2.2E4 208.1697 1.4E4 226.1799 1.1E5 227.1851 2.9E4 END IONS BEGIN IONS FEATURE_ID=87 PEPMASS=304.2995 SCANS=87 RTINSECONDS=66.164 CHARGE=1+ MSLEVEL=2 58.0651 1.8E5 91.0542 6.0E5 92.0574 2.6E4 212.2372 3.9E5 213.2406 3.2E4 304.2999 1.1E6 305.3032 1.6E5 END IONS BEGIN IONS FEATURE_ID=88 PEPMASS=305.3029 SCANS=88 RTINSECONDS=66.407 CHARGE=1+ MSLEVEL=2 58.0651 6.7E4 91.0542 2.2E5 92.0575 2.5E4 212.2372 1.1E5 213.2406 2.9E4 304.2999 2.9E5 305.3033 1.5E5 END IONS BEGIN IONS FEATURE_ID=92 PEPMASS=251.1850 SCANS=92 RTINSECONDS=68.501 CHARGE=1+ MSLEVEL=2 59.0491 8.8E4 251.0469 2.5E4 252.1570 1.2E4 END IONS BEGIN IONS FEATURE_ID=93 PEPMASS=124.0867 SCANS=93 RTINSECONDS=69.341 CHARGE=1+ MSLEVEL=2 123.0551 4.8E4 123.0912 3.9E4 124.0397 1.9E4 124.0867 3.4E5 125.0906 1.1E4 END IONS BEGIN IONS FEATURE_ID=94 PEPMASS=216.0559 SCANS=94 RTINSECONDS=69.414 CHARGE=1+ MSLEVEL=2 187.0581 2.5E4 215.0534 3.2E6 216.0555 7.2E5 217.0583 2.8E4 END IONS BEGIN IONS FEATURE_ID=95 PEPMASS=214.0497 SCANS=95 RTINSECONDS=69.483 CHARGE=1+ MSLEVEL=2 49.8269 6.4E4 51.4751 6.6E4 54.4411 6.6E4 75.4079 6.8E4 92.6729 6.9E4 111.7557 7.0E4 119.3679 6.5E4 123.9803 6.6E4 155.3928 6.5E4 177.6609 6.8E4 186.0546 2.4E5 214.0500 5.5E7 215.0532 3.4E6 215.0800 1.6E5 226.5611 9.4E4 END IONS BEGIN IONS FEATURE_ID=97 PEPMASS=215.0529 SCANS=97 RTINSECONDS=69.517 CHARGE=1+ MSLEVEL=2 53.2038 3.0E4 79.7292 3.7E4 87.0543 3.3E4 127.1997 3.3E4 152.5760 2.8E4 186.0546 1.8E5 187.0570 4.2E4 214.0499 2.8E7 215.0532 7.4E6 216.0560 4.6E5 END IONS BEGIN IONS FEATURE_ID=98 PEPMASS=212.1472 SCANS=98 RTINSECONDS=70.122 CHARGE=1+ MSLEVEL=2 70.0651 2.6E5 71.0684 1.5E4 86.0964 2.3E5 87.0995 1.8E4 98.0600 6.7E4 114.0913 4.6E4 127.0860 1.1E4 138.1275 4.8E4 154.0734 2.0E4 155.1541 3.7E4 183.1490 1.1E5 184.1526 2.4E4 194.1169 1.1E4 211.1440 6.2E5 212.1472 1.6E5 214.0505 1.1E4 END IONS BEGIN IONS FEATURE_ID=99 PEPMASS=258.2788 SCANS=99 RTINSECONDS=70.05 CHARGE=1+ MSLEVEL=2 57.0698 7.4E4 58.0651 8.0E5 62.0600 1.3E5 71.0855 4.2E4 85.1012 3.1E4 240.2682 1.1E5 258.2791 1.5E6 259.2824 1.4E5 END IONS BEGIN IONS FEATURE_ID=100 PEPMASS=88.0755 SCANS=100 RTINSECONDS=70.019 CHARGE=1+ MSLEVEL=2 43.0178 1.6E4 46.0651 1.3E5 70.0651 1.9E4 88.0757 1.1E6 89.0790 1.5E4 END IONS BEGIN IONS FEATURE_ID=101 PEPMASS=180.1016 SCANS=101 RTINSECONDS=70.158 CHARGE=1+ MSLEVEL=2 121.0647 3.1E5 122.0680 1.0E4 138.0914 3.0E4 179.1184 1.3E4 180.1016 2.4E4 END IONS BEGIN IONS FEATURE_ID=102 PEPMASS=259.2822 SCANS=102 RTINSECONDS=70.191 CHARGE=1+ MSLEVEL=2 57.0698 2.2E4 58.0651 3.3E5 59.0684 1.6E4 62.0600 4.9E4 71.0855 1.3E4 240.2686 3.2E4 241.2720 1.1E4 258.2791 5.1E5 259.2824 2.0E5 END IONS BEGIN IONS FEATURE_ID=103 PEPMASS=211.1439 SCANS=103 RTINSECONDS=70.356 CHARGE=1+ MSLEVEL=2 69.0698 1.0E4 70.0651 4.3E5 71.0684 1.1E4 86.0964 5.9E5 87.0995 1.2E4 98.0599 1.7E5 114.0912 7.6E4 127.0859 1.5E4 138.1276 9.5E4 151.0755 6.2E4 152.0791 1.0E4 154.0738 4.4E4 155.1542 7.5E4 167.1540 1.1E4 183.1491 2.8E5 194.1174 2.1E4 211.1441 1.5E6 212.1472 1.0E5 END IONS BEGIN IONS FEATURE_ID=104 PEPMASS=367.2088 SCANS=104 RTINSECONDS=70.721 CHARGE=1+ MSLEVEL=2 367.2091 2.3E5 368.2118 2.7E4 END IONS BEGIN IONS FEATURE_ID=106 PEPMASS=164.0704 SCANS=106 RTINSECONDS=71.226 CHARGE=1+ MSLEVEL=2 164.0705 2.4E5 165.0751 1.4E4 END IONS BEGIN IONS FEATURE_ID=107 PEPMASS=245.1281 SCANS=107 RTINSECONDS=71.492 CHARGE=1+ MSLEVEL=2 70.0651 1.3E5 98.0598 1.1E4 120.0807 1.2E5 154.0735 5.0E4 172.1123 1.8E4 217.1336 4.2E4 245.1284 1.6E5 246.0222 2.1E4 246.1318 1.6E4 END IONS BEGIN IONS FEATURE_ID=108 PEPMASS=284.1391 SCANS=108 RTINSECONDS=71.547 CHARGE=1+ MSLEVEL=2 130.0651 2.2E5 131.0685 1.0E4 132.0808 1.2E4 170.0599 2.4E4 284.1390 2.3E4 284.3314 1.4E4 END IONS BEGIN IONS FEATURE_ID=110 PEPMASS=230.2476 SCANS=110 RTINSECONDS=72.483 CHARGE=1+ MSLEVEL=2 57.0698 1.4E5 58.0651 2.1E6 59.0684 4.4E4 62.0600 3.3E5 70.0148 1.0E4 71.0854 8.4E4 85.1012 5.9E4 181.0951 1.0E4 212.2368 2.3E5 212.2603 1.8E4 213.2417 2.0E4 230.2477 4.7E6 231.2511 4.0E5 240.2535 1.1E4 END IONS BEGIN IONS FEATURE_ID=111 PEPMASS=231.2509 SCANS=111 RTINSECONDS=72.717 CHARGE=1+ MSLEVEL=2 57.0698 8.1E4 58.0651 1.1E6 59.0684 7.2E4 62.0600 1.8E5 71.0855 4.9E4 85.1011 2.7E4 212.2371 1.1E5 213.2412 3.9E4 230.2478 1.8E6 231.2512 7.2E5 232.2542 3.8E4 END IONS BEGIN IONS FEATURE_ID=113 PEPMASS=245.1282 SCANS=113 RTINSECONDS=72.875 CHARGE=1+ MSLEVEL=2 70.0651 1.3E5 98.0601 1.0E4 120.0807 1.1E5 154.0737 5.3E4 172.1120 1.6E4 217.1336 3.6E4 245.1286 1.4E5 246.0220 3.1E4 246.1321 1.5E4 END IONS BEGIN IONS FEATURE_ID=114 PEPMASS=197.1283 SCANS=114 RTINSECONDS=73.978 CHARGE=1+ MSLEVEL=2 70.0651 8.5E4 72.0807 1.3E5 98.0601 3.9E4 100.0755 1.6E4 124.1119 3.0E4 141.1386 2.5E4 154.0733 1.3E4 169.1335 9.2E4 197.1284 4.2E5 198.1318 2.2E4 END IONS BEGIN IONS FEATURE_ID=115 PEPMASS=200.2371 SCANS=115 RTINSECONDS=73.716 CHARGE=1+ MSLEVEL=2 57.0698 3.4E4 71.0854 1.9E4 200.2371 3.1E5 201.2405 2.2E4 END IONS BEGIN IONS FEATURE_ID=116 PEPMASS=402.3574 SCANS=116 RTINSECONDS=73.901 CHARGE=1+ MSLEVEL=2 57.0699 2.2E4 71.0855 1.6E4 95.0856 1.1E4 283.2631 1.1E6 284.2665 1.2E5 402.3574 1.7E5 403.3592 2.4E4 END IONS BEGIN IONS FEATURE_ID=117 PEPMASS=144.0476 SCANS=117 RTINSECONDS=74.341 CHARGE=1+ MSLEVEL=2 62.9290 4.4E4 103.9555 6.4E4 113.0294 2.7E4 121.9661 8.3E5 126.0369 2.6E4 131.9616 2.1E4 144.0477 7.2E5 144.9820 1.4E5 145.0513 3.4E4 145.0751 1.8E4 END IONS BEGIN IONS FEATURE_ID=119 PEPMASS=284.1391 SCANS=119 RTINSECONDS=71.138 CHARGE=1+ MSLEVEL=2 130.0651 1.4E5 132.0810 1.0E4 284.1392 1.3E4 284.3315 1.0E4 END IONS BEGIN IONS FEATURE_ID=120 PEPMASS=110.0599 SCANS=120 RTINSECONDS=78.54 CHARGE=1+ MSLEVEL=2 82.0649 1.0E4 110.0601 1.3E6 111.0635 4.7E4 111.0915 4.1E4 END IONS BEGIN IONS FEATURE_ID=121 PEPMASS=156.1017 SCANS=121 RTINSECONDS=76.186 CHARGE=1+ MSLEVEL=2 43.0177 1.1E4 56.0494 7.1E4 93.0698 3.5E4 95.0491 1.8E4 95.0854 4.1E4 96.0805 1.1E4 97.0283 2.8E4 109.0646 1.4E4 110.0963 3.3E4 111.0804 5.1E4 113.0597 2.4E4 121.0649 1.6E4 128.1069 1.5E4 138.0912 2.4E5 139.0753 1.9E5 139.0945 1.2E4 140.0787 1.1E4 156.1019 1.9E6 157.1053 1.2E5 END IONS BEGIN IONS FEATURE_ID=122 PEPMASS=590.2061 SCANS=122 RTINSECONDS=76.228 CHARGE=1+ MSLEVEL=2 119.0854 6.1E4 377.0553 1.7E4 455.1009 1.7E4 495.1331 2.2E4 573.1818 1.2E4 END IONS BEGIN IONS FEATURE_ID=123 PEPMASS=138.0911 SCANS=123 RTINSECONDS=77.213 CHARGE=1+ MSLEVEL=2 110.0601 1.5E4 121.0396 2.7E4 137.0710 1.1E4 138.0552 1.2E4 138.0913 6.0E5 139.0501 1.1E4 139.0945 3.1E4 139.1229 1.9E4 140.0342 1.1E4 END IONS BEGIN IONS FEATURE_ID=124 PEPMASS=96.0443 SCANS=124 RTINSECONDS=77.213 CHARGE=1+ MSLEVEL=2 68.0492 1.9E4 96.0444 8.6E6 97.0402 2.1E4 97.0476 1.8E5 END IONS BEGIN IONS FEATURE_ID=125 PEPMASS=162.0660 SCANS=125 RTINSECONDS=77.391 CHARGE=1+ MSLEVEL=2 120.0555 2.5E5 144.0556 3.6E4 161.0711 2.0E4 162.0665 1.3E6 163.0706 6.5E4 END IONS BEGIN IONS FEATURE_ID=127 PEPMASS=170.1173 SCANS=127 RTINSECONDS=77.698 CHARGE=1+ MSLEVEL=2 70.0650 2.0E4 83.0855 1.9E4 97.1012 2.5E4 107.0854 2.0E4 124.1114 1.0E4 125.0965 2.1E4 135.0806 1.0E4 142.1220 1.3E4 169.0762 2.0E5 169.0970 4.5E4 170.0794 5.2E4 170.0977 3.2E4 170.1178 2.4E4 171.1492 1.6E4 END IONS BEGIN IONS FEATURE_ID=128 PEPMASS=210.1097 SCANS=128 RTINSECONDS=79.164 CHARGE=1+ MSLEVEL=2 210.1101 1.8E5 211.1177 1.3E4 END IONS BEGIN IONS FEATURE_ID=129 PEPMASS=146.9801 SCANS=129 RTINSECONDS=77.875 CHARGE=1+ MSLEVEL=2 62.9292 1.0E4 64.9272 1.8E5 82.9390 2.8E4 105.9537 3.1E5 121.9660 6.9E4 122.9702 6.0E4 123.9644 2.7E6 124.9682 4.2E4 133.9597 1.3E5 145.9853 1.7E4 146.9802 3.7E5 147.0553 1.9E4 147.0911 1.3E4 147.9835 1.1E4 163.9957 1.7E4 END IONS BEGIN IONS FEATURE_ID=130 PEPMASS=197.1283 SCANS=130 RTINSECONDS=77.754 CHARGE=1+ MSLEVEL=2 70.0651 1.8E5 72.0808 4.9E4 98.0600 1.3E4 100.0756 3.2E4 124.1120 2.8E4 141.1385 2.2E4 154.0734 1.1E4 169.1336 8.8E4 197.1284 4.6E5 198.1314 3.3E4 END IONS BEGIN IONS FEATURE_ID=131 PEPMASS=144.9820 SCANS=131 RTINSECONDS=79.279 CHARGE=1+ MSLEVEL=2 46.0034 1.1E4 48.2126 1.1E4 62.9290 4.0E5 62.9330 2.0E4 72.2246 1.1E4 80.9407 7.0E4 103.9555 3.5E5 121.9661 6.8E6 122.9700 1.0E5 123.9702 1.3E4 131.9616 7.9E4 131.9982 1.2E4 144.0481 3.0E4 144.9820 9.3E5 145.9853 2.9E4 146.0605 1.4E4 161.9975 5.0E4 END IONS BEGIN IONS FEATURE_ID=135 PEPMASS=169.0758 SCANS=135 RTINSECONDS=80.388 CHARGE=1+ MSLEVEL=2 44.0495 2.0E4 70.0651 1.0E5 98.0600 4.0E4 141.1022 1.4E4 150.0913 1.3E4 168.1018 1.5E4 169.0763 7.5E5 169.0972 2.6E5 170.0793 5.1E4 170.0984 2.1E4 END IONS BEGIN IONS FEATURE_ID=137 PEPMASS=246.1520 SCANS=137 RTINSECONDS=80.627 CHARGE=1+ MSLEVEL=2 55.0179 2.8E4 55.0542 6.6E4 57.0699 4.6E4 58.9949 7.2E4 67.0541 1.3E5 69.0698 1.5E5 73.0106 1.5E4 74.0058 1.6E4 76.0215 1.1E5 81.0698 2.5E5 83.0854 1.0E5 86.9899 1.1E5 87.0262 2.2E5 88.0216 3.0E4 88.0393 4.1E4 95.0853 1.3E4 97.1009 2.7E4 99.0264 1.3E4 101.0419 1.0E5 105.0005 8.3E4 115.0569 2.2E4 116.0527 7.3E4 120.0113 1.1E4 123.1168 6.6E4 142.1590 6.3E5 143.1624 2.9E4 154.1588 1.4E4 157.1047 4.4E4 166.1587 1.1E4 183.1201 3.4E4 187.0868 1.6E4 200.1467 3.0E5 201.1497 2.0E4 229.1256 4.9E5 230.1289 3.8E4 246.0210 1.7E4 246.1521 5.9E5 246.2412 6.3E4 247.1551 4.0E4 END IONS BEGIN IONS FEATURE_ID=138 PEPMASS=195.1127 SCANS=138 RTINSECONDS=80.659 CHARGE=1+ MSLEVEL=2 45.0334 1.5E4 70.0651 2.2E5 89.0596 1.8E4 98.0599 7.5E4 123.0914 1.4E4 124.0955 1.2E4 177.1026 1.3E4 194.1733 5.3E4 195.1127 6.2E5 196.1158 3.2E4 END IONS BEGIN IONS FEATURE_ID=140 PEPMASS=154.0860 SCANS=140 RTINSECONDS=80.709 CHARGE=1+ MSLEVEL=2 81.0697 2.6E4 96.0442 1.1E4 108.0807 2.7E4 126.0910 1.7E4 135.0915 2.2E4 136.0755 2.2E5 153.1007 2.8E4 153.1383 3.7E4 154.0861 7.8E5 155.0891 3.5E4 END IONS BEGIN IONS FEATURE_ID=142 PEPMASS=110.0599 SCANS=142 RTINSECONDS=80.928 CHARGE=1+ MSLEVEL=2 68.0494 8.5E4 69.0448 1.3E4 82.0648 1.2E4 93.0447 6.2E4 94.0286 1.4E4 109.0759 2.3E4 110.0600 4.0E6 111.0552 3.9E5 111.0636 1.3E5 111.0914 6.5E4 END IONS BEGIN IONS FEATURE_ID=148 PEPMASS=243.1489 SCANS=148 RTINSECONDS=81.042 CHARGE=1+ MSLEVEL=2 93.0698 2.9E4 121.0647 1.0E6 122.0680 5.0E4 123.0915 2.1E5 243.1151 1.1E4 243.1488 1.7E5 244.1555 1.4E4 END IONS BEGIN IONS FEATURE_ID=151 PEPMASS=126.0548 SCANS=151 RTINSECONDS=81.132 CHARGE=1+ MSLEVEL=2 82.0653 1.1E4 107.0603 1.9E4 108.0444 4.0E6 109.0477 1.7E5 125.0611 1.3E4 125.0707 3.2E5 125.0902 2.2E4 125.1074 2.1E4 126.0549 1.7E6 126.0910 1.2E5 127.0589 6.6E4 149.0706 1.0E5 END IONS BEGIN IONS FEATURE_ID=152 PEPMASS=100.0755 SCANS=152 RTINSECONDS=81.134 CHARGE=1+ MSLEVEL=2 56.0494 1.6E5 72.0808 1.5E4 82.0650 3.6E4 100.0757 5.7E6 101.0790 1.3E5 END IONS BEGIN IONS FEATURE_ID=156 PEPMASS=283.1220 SCANS=156 RTINSECONDS=81.212 CHARGE=1+ MSLEVEL=2 59.0604 1.2E4 81.0447 1.3E5 89.0596 1.9E5 110.0711 1.1E4 117.0368 1.4E5 122.0712 6.2E5 123.0791 8.8E5 124.0842 2.5E4 133.0859 6.8E4 134.0632 1.2E4 137.0825 1.5E4 139.0977 8.2E5 140.0822 1.3E4 140.1013 1.9E4 144.0476 1.2E5 150.0665 1.4E4 154.0435 1.5E5 163.0981 1.8E4 164.1059 2.0E4 167.0640 1.7E4 167.0926 1.6E5 167.1092 1.2E4 177.1126 1.3E4 197.0748 1.1E4 205.1200 1.0E4 208.0912 2.0E4 225.1172 2.1E4 235.1031 1.4E4 238.1004 4.9E4 253.1118 2.0E5 254.1157 1.1E4 255.1276 3.9E4 265.1121 9.5E4 283.1222 1.9E6 284.1247 1.5E5 END IONS BEGIN IONS FEATURE_ID=166 PEPMASS=298.0965 SCANS=166 RTINSECONDS=81.406 CHARGE=1+ MSLEVEL=2 61.0066 2.1E4 61.0106 4.1E5 69.0335 3.0E4 75.0263 1.5E5 97.0283 1.9E5 103.0212 6.5E4 115.0393 1.4E4 136.0618 7.1E6 137.0661 2.1E5 145.0316 2.9E5 146.0339 1.1E4 163.0422 1.8E5 297.1666 1.2E4 298.0963 3.6E5 299.0980 2.4E4 299.1816 2.7E4 END IONS BEGIN IONS FEATURE_ID=167 PEPMASS=227.1751 SCANS=167 RTINSECONDS=81.607 CHARGE=1+ MSLEVEL=2 55.0542 2.7E4 83.0854 4.1E4 100.1120 9.2E5 101.1153 3.3E4 105.0698 3.8E4 117.1380 1.2E4 209.1647 2.0E5 210.1687 1.5E4 227.1249 2.2E4 227.1756 2.9E5 228.1792 2.2E4 END IONS BEGIN IONS FEATURE_ID=170 PEPMASS=239.1486 SCANS=170 RTINSECONDS=81.826 CHARGE=1+ MSLEVEL=2 89.0596 8.9E4 123.1170 1.0E4 133.0858 2.8E4 239.1756 1.8E4 END IONS BEGIN IONS FEATURE_ID=171 PEPMASS=332.2081 SCANS=171 RTINSECONDS=81.919 CHARGE=1+ MSLEVEL=2 55.0541 2.3E4 56.0494 2.5E4 58.9949 2.0E4 67.0542 3.8E4 69.0697 2.7E4 74.0058 2.6E4 76.0214 6.9E4 79.0540 1.3E4 81.0698 8.7E4 83.0854 4.2E4 84.0809 1.3E4 85.0105 1.1E4 86.0058 4.2E4 86.9899 1.7E4 87.0262 6.8E4 88.0215 1.3E4 88.0393 1.7E4 91.0546 1.2E4 93.0698 5.3E4 95.0855 1.1E5 96.0889 1.1E4 97.0105 2.2E5 97.0647 1.2E4 97.1009 1.9E4 98.0138 1.8E4 99.0266 2.4E4 99.0800 1.4E4 101.0421 3.0E4 105.0003 1.6E4 105.0699 1.5E4 107.0855 5.8E4 109.1012 5.7E4 111.0264 1.0E4 111.0806 1.6E4 113.0420 3.9E4 114.0913 1.3E4 116.0526 2.5E4 119.0851 2.4E4 121.1008 3.6E4 122.0269 2.7E4 123.1166 1.2E4 125.0420 1.0E4 127.0578 1.9E4 131.0855 2.7E4 132.0113 9.1E4 133.1010 1.8E4 135.1168 1.5E4 137.0417 1.2E5 138.0446 1.0E4 139.0575 2.1E4 147.1165 2.2E4 149.1321 2.5E4 151.0576 3.9E4 163.1481 3.5E4 173.1322 7.6E4 174.1353 1.6E4 175.1479 2.4E4 191.1428 4.7E4 192.1464 1.2E4 193.1581 1.6E4 207.1199 2.0E4 208.1694 1.7E4 210.1852 1.3E6 211.1887 3.2E5 212.1920 1.6E4 223.1514 1.8E4 225.1305 9.6E4 226.1343 2.0E4 227.1486 2.4E4 227.2124 1.5E4 228.1497 1.3E4 228.1941 1.0E4 233.1357 1.2E4 234.1850 3.4E4 235.1891 1.7E4 236.2000 1.6E4 240.1780 4.8E4 241.1812 1.5E4 242.1566 2.5E4 251.1462 2.2E5 252.1497 8.8E4 252.1954 3.6E4 268.1729 6.6E5 269.1767 2.3E5 270.1677 3.4E4 280.1899 2.1E4 285.1995 9.4E4 286.1815 2.8E5 287.1863 1.1E5 288.1810 1.6E4 314.1783 3.1E5 315.1818 1.3E5 316.1771 2.3E4 331.2051 4.0E5 332.2083 1.7E5 333.2053 3.8E4 END IONS BEGIN IONS FEATURE_ID=173 PEPMASS=331.2046 SCANS=173 RTINSECONDS=82.011 CHARGE=1+ MSLEVEL=2 55.0539 2.8E4 56.0493 2.4E4 56.8047 1.5E4 58.9948 3.6E4 67.0541 8.0E4 69.0698 5.3E4 70.0961 1.4E4 74.0056 2.8E4 76.0214 1.2E5 77.1715 1.7E4 79.0542 2.9E4 80.0494 1.7E4 80.3063 1.7E4 81.0698 1.5E5 83.0855 8.4E4 84.0806 1.9E4 85.0104 3.0E4 85.0648 2.8E4 86.0057 6.8E4 86.9896 3.5E4 87.0263 9.2E4 88.0216 1.4E4 88.0390 3.2E4 91.0537 1.5E4 93.0698 8.2E4 95.0854 1.7E5 97.0030 2.0E4 97.0106 3.9E5 97.0648 2.2E4 97.1009 3.2E4 98.0132 1.7E4 99.0262 3.4E4 99.0801 2.1E4 101.0420 4.5E4 105.0699 2.6E4 107.0857 9.8E4 109.1011 8.8E4 111.0257 2.7E4 111.0803 2.6E4 113.0418 5.6E4 114.0907 1.7E4 116.0525 4.6E4 119.0850 3.6E4 121.1010 4.8E4 122.0268 5.9E4 123.0256 1.8E4 123.1169 2.6E4 125.0420 2.4E4 126.0921 1.6E4 127.0572 4.5E4 128.1060 1.5E4 131.0849 6.4E4 132.0114 1.5E5 133.1005 3.0E4 135.1165 4.8E4 137.0419 1.8E5 139.0573 3.3E4 145.1006 1.9E4 147.1163 4.9E4 149.1322 5.9E4 151.0574 6.8E4 163.1479 6.2E4 165.0735 1.8E4 173.1316 1.3E5 175.1475 6.9E4 176.1518 1.8E4 189.1622 1.4E4 191.1428 8.3E4 193.1585 5.8E4 197.1362 2.1E4 199.1483 1.6E4 206.1894 1.9E4 207.1205 3.3E4 208.1696 3.9E4 210.1851 2.9E6 211.1668 1.9E4 211.1889 1.8E5 212.0717 1.3E4 223.1508 3.4E4 225.1309 2.0E5 226.1344 3.1E4 227.1456 5.8E4 227.2117 3.2E4 228.1946 2.7E4 229.1780 1.7E4 233.1365 3.4E4 234.1854 5.7E4 236.1999 1.5E4 240.1519 1.7E4 240.1771 9.9E4 242.1579 5.7E4 251.1463 5.3E5 252.1491 3.8E4 252.1958 5.9E4 253.2274 4.4E4 268.1728 1.4E6 269.1783 1.2E5 280.1892 2.7E4 285.1993 2.8E5 286.1830 6.2E5 287.1866 6.2E4 296.1706 3.3E4 314.1783 8.7E5 315.1804 9.7E4 331.2048 1.3E6 332.2077 1.6E5 354.8892 1.3E4 END IONS BEGIN IONS FEATURE_ID=175 PEPMASS=353.1864 SCANS=175 RTINSECONDS=82.202 CHARGE=1+ MSLEVEL=2 249.1938 1.4E4 275.2092 7.5E5 276.2124 8.3E4 353.0985 1.4E4 353.1880 1.3E5 354.1877 1.8E4 END IONS BEGIN IONS FEATURE_ID=177 PEPMASS=124.0867 SCANS=177 RTINSECONDS=82.69 CHARGE=1+ MSLEVEL=2 80.0494 9.8E4 96.0444 2.9E4 106.0288 1.2E4 123.0553 3.2E6 124.0393 2.3E4 124.0590 4.5E5 124.0762 5.2E4 124.0867 7.1E5 125.0602 1.6E4 125.0711 2.5E4 125.0902 2.9E4 END IONS BEGIN IONS FEATURE_ID=178 PEPMASS=123.0552 SCANS=178 RTINSECONDS=83.014 CHARGE=1+ MSLEVEL=2 49.6044 2.2E4 50.9810 2.2E4 77.5293 2.3E4 78.0336 2.5E4 79.0421 2.8E4 80.0494 3.5E5 82.6313 2.0E4 83.8819 2.1E4 96.0443 8.8E4 106.0289 3.9E4 122.0960 3.1E4 123.0553 2.0E7 124.0393 5.0E4 124.0589 7.9E5 124.0763 5.5E4 124.0864 4.0E5 132.2460 2.6E4 END IONS BEGIN IONS FEATURE_ID=181 PEPMASS=224.0737 SCANS=181 RTINSECONDS=83.295 CHARGE=1+ MSLEVEL=2 58.9949 1.2E4 76.0214 1.5E4 86.9899 1.6E4 105.0003 1.5E4 119.0729 1.7E4 120.0807 1.6E5 121.0842 1.1E4 135.0262 3.3E5 136.0297 1.6E4 144.0806 1.6E4 161.0421 1.7E4 178.0684 3.3E4 224.0734 5.5E4 END IONS BEGIN IONS FEATURE_ID=182 PEPMASS=195.1225 SCANS=182 RTINSECONDS=83.435 CHARGE=1+ MSLEVEL=2 45.0334 1.5E4 70.0651 2.2E5 89.0596 1.8E4 98.0599 7.5E4 123.0914 1.4E4 124.0955 1.2E4 177.1026 1.3E4 194.1733 5.3E4 195.1127 6.2E5 196.1158 3.2E4 END IONS BEGIN IONS FEATURE_ID=184 PEPMASS=210.1097 SCANS=184 RTINSECONDS=83.31 CHARGE=1+ MSLEVEL=2 141.1018 1.0E4 163.1233 1.1E4 210.1100 1.3E5 211.1101 1.0E4 END IONS BEGIN IONS FEATURE_ID=187 PEPMASS=283.1220 SCANS=187 RTINSECONDS=81.5 CHARGE=1+ MSLEVEL=2 81.0446 1.2E4 89.0596 2.4E4 117.0368 1.5E4 122.0710 6.4E4 123.0790 8.2E4 139.0976 6.9E4 144.0473 1.7E4 154.0430 1.6E4 167.0924 1.5E4 253.1118 2.7E4 265.1120 1.2E4 283.1212 1.8E5 284.1263 1.5E4 END IONS BEGIN IONS FEATURE_ID=190 PEPMASS=195.1129 SCANS=190 RTINSECONDS=83.397 CHARGE=1+ MSLEVEL=2 45.0335 5.4E4 89.0596 7.1E4 133.0860 1.3E4 149.1072 8.5E4 177.1021 8.5E4 195.1125 8.1E4 195.1459 1.1E4 END IONS BEGIN IONS FEATURE_ID=191 PEPMASS=249.1344 SCANS=191 RTINSECONDS=85.204 CHARGE=1+ MSLEVEL=2 219.1239 6.6E4 249.1344 3.2E5 250.1378 2.6E4 END IONS BEGIN IONS FEATURE_ID=192 PEPMASS=105.0697 SCANS=192 RTINSECONDS=86.13 CHARGE=1+ MSLEVEL=2 79.0541 5.4E4 95.0491 1.1E4 103.0541 4.8E4 105.0698 1.1E6 106.0732 4.4E4 END IONS BEGIN IONS FEATURE_ID=193 PEPMASS=393.2855 SCANS=193 RTINSECONDS=83.465 CHARGE=1+ MSLEVEL=2 302.1865 1.4E4 376.2594 1.6E5 377.2626 2.7E4 END IONS BEGIN IONS FEATURE_ID=195 PEPMASS=124.0867 SCANS=195 RTINSECONDS=83.227 CHARGE=1+ MSLEVEL=2 42.0338 3.5E4 80.0493 7.5E4 83.0600 1.3E4 96.0442 2.4E4 123.0553 2.5E6 124.0394 2.1E4 124.0590 3.7E5 124.0766 3.1E4 124.0867 5.8E5 125.0602 1.1E4 125.0709 2.3E4 125.0906 1.5E4 END IONS BEGIN IONS FEATURE_ID=196 PEPMASS=393.2857 SCANS=196 RTINSECONDS=85.419 CHARGE=1+ MSLEVEL=2 302.1865 1.2E4 376.2595 1.8E5 377.2630 2.9E4 END IONS BEGIN IONS FEATURE_ID=197 PEPMASS=151.0963 SCANS=197 RTINSECONDS=89.333 CHARGE=1+ MSLEVEL=2 45.0334 1.9E4 89.0596 1.1E4 151.1228 3.9E4 152.0341 7.8E4 END IONS BEGIN IONS FEATURE_ID=198 PEPMASS=348.1438 SCANS=198 RTINSECONDS=88.568 CHARGE=1+ MSLEVEL=2 249.0915 1.1E4 267.1020 4.0E4 295.0966 9.2E4 296.1004 1.2E4 END IONS BEGIN IONS FEATURE_ID=199 PEPMASS=375.0812 SCANS=199 RTINSECONDS=89.368 CHARGE=1+ MSLEVEL=2 57.0699 1.5E4 292.2020 1.0E4 302.1870 2.4E4 331.0917 7.2E4 332.0951 1.0E4 375.0818 1.6E5 376.0854 2.3E4 376.2598 9.9E4 END IONS BEGIN IONS FEATURE_ID=201 PEPMASS=353.0992 SCANS=201 RTINSECONDS=89.206 CHARGE=1+ MSLEVEL=2 353.0995 7.0E4 354.1024 1.2E4 END IONS BEGIN IONS FEATURE_ID=202 PEPMASS=337.0365 SCANS=202 RTINSECONDS=92.372 CHARGE=1+ MSLEVEL=2 175.0017 1.5E4 END IONS BEGIN IONS FEATURE_ID=203 PEPMASS=321.0626 SCANS=203 RTINSECONDS=92.371 CHARGE=1+ MSLEVEL=2 159.0276 5.3E5 160.0314 1.8E4 321.0625 2.6E4 END IONS BEGIN IONS FEATURE_ID=204 PEPMASS=298.0966 SCANS=204 RTINSECONDS=101.646 CHARGE=1+ MSLEVEL=2 61.0106 2.1E4 75.0261 1.1E4 97.0283 1.0E4 136.0617 4.0E5 145.0320 1.4E4 298.0961 1.5E4 END IONS BEGIN IONS FEATURE_ID=205 PEPMASS=190.0895 SCANS=205 RTINSECONDS=102.812 CHARGE=1+ MSLEVEL=2 58.9949 4.5E4 67.0542 1.4E4 69.0698 3.9E4 76.0213 1.8E4 86.0963 8.8E4 86.9898 3.1E4 88.0211 1.0E4 101.0418 1.1E5 105.0003 2.5E4 144.0840 4.0E4 173.0629 9.7E4 190.0894 7.7E4 END IONS BEGIN IONS FEATURE_ID=206 PEPMASS=144.9820 SCANS=206 RTINSECONDS=119.832 CHARGE=1+ MSLEVEL=2 62.9290 2.0E4 103.9555 2.7E4 121.9660 3.5E5 144.0804 2.2E4 144.9821 5.9E4 END IONS BEGIN IONS FEATURE_ID=207 PEPMASS=190.0894 SCANS=207 RTINSECONDS=119.501 CHARGE=1+ MSLEVEL=2 58.9950 2.1E4 69.0698 1.9E4 76.0216 1.0E4 86.0963 5.1E4 86.9898 1.4E4 101.0419 5.5E4 105.0005 1.3E4 144.0842 1.6E4 173.0631 4.8E4 190.0891 4.1E4 END IONS BEGIN IONS FEATURE_ID=208 PEPMASS=146.0810 SCANS=208 RTINSECONDS=119.38 CHARGE=1+ MSLEVEL=2 72.0807 1.2E4 86.0600 1.0E5 86.9897 1.6E4 100.0214 1.1E5 105.0004 3.2E4 121.9659 2.4E4 123.9642 5.1E4 146.0269 8.9E4 146.9809 1.0E4 END IONS BEGIN IONS FEATURE_ID=209 PEPMASS=267.1449 SCANS=209 RTINSECONDS=119.704 CHARGE=1+ MSLEVEL=2 81.0446 3.7E4 118.0861 1.1E4 122.0712 2.0E5 123.0792 5.0E4 124.0868 3.8E4 139.0978 3.3E4 209.1398 5.9E4 221.1389 1.1E4 237.1345 1.0E5 239.1501 1.1E5 249.1340 1.4E4 267.1451 3.9E5 268.1474 2.7E4 END IONS BEGIN IONS FEATURE_ID=210 PEPMASS=152.0704 SCANS=210 RTINSECONDS=121.887 CHARGE=1+ MSLEVEL=2 96.0805 1.5E4 124.0756 6.7E4 134.0599 6.9E5 135.0635 4.3E4 151.1227 4.3E4 152.0704 3.8E5 153.0750 2.2E4 END IONS BEGIN IONS FEATURE_ID=211 PEPMASS=170.0811 SCANS=211 RTINSECONDS=121.962 CHARGE=1+ MSLEVEL=2 124.0755 6.2E4 134.0598 7.4E5 135.0637 3.5E4 152.0704 4.5E6 153.0739 2.7E5 170.0809 1.5E6 171.0845 9.7E4 171.1489 1.4E4 END IONS BEGIN IONS FEATURE_ID=212 PEPMASS=171.0843 SCANS=212 RTINSECONDS=122.237 CHARGE=1+ MSLEVEL=2 46.0653 1.1E4 89.0708 2.2E4 124.0751 2.9E4 134.0598 3.8E5 135.0634 6.4E4 152.0705 1.9E6 153.0739 3.8E5 154.0752 1.7E4 170.0809 5.2E5 171.0842 1.1E5 171.1491 3.1E4 END IONS BEGIN IONS FEATURE_ID=213 PEPMASS=331.2046 SCANS=213 RTINSECONDS=122.975 CHARGE=1+ MSLEVEL=2 97.0106 1.7E4 210.1853 1.2E5 251.1461 1.9E4 268.1732 5.8E4 286.1831 3.6E4 314.1791 2.9E4 331.2058 4.8E4 END IONS BEGIN IONS FEATURE_ID=214 PEPMASS=212.1028 SCANS=214 RTINSECONDS=133.534 CHARGE=1+ MSLEVEL=2 125.0710 3.1E4 153.0653 1.2E4 195.0764 1.0E5 END IONS BEGIN IONS FEATURE_ID=215 PEPMASS=176.0739 SCANS=215 RTINSECONDS=134.361 CHARGE=1+ MSLEVEL=2 55.0543 1.1E4 58.9950 2.9E4 72.0808 2.3E5 76.0215 1.8E4 86.9898 4.3E4 87.0262 1.2E5 105.0004 3.6E4 113.0418 2.8E4 130.0684 7.3E4 159.0474 1.5E5 176.0739 1.3E5 END IONS BEGIN IONS FEATURE_ID=216 PEPMASS=395.1961 SCANS=216 RTINSECONDS=135.333 CHARGE=1+ MSLEVEL=2 244.0969 2.1E4 282.1122 1.3E4 324.1228 4.7E4 350.1373 1.6E4 367.1655 4.3E4 395.1964 7.9E5 396.1996 1.3E5 END IONS BEGIN IONS FEATURE_ID=217 PEPMASS=171.0762 SCANS=217 RTINSECONDS=147.622 CHARGE=1+ MSLEVEL=2 46.0652 1.8E4 72.0444 1.6E4 89.0709 2.4E4 125.0709 7.5E4 134.0599 3.2E4 152.0706 1.7E5 153.0649 1.2E5 170.0812 5.0E4 170.0970 1.9E4 171.1496 3.9E4 END IONS BEGIN IONS FEATURE_ID=218 PEPMASS=136.0617 SCANS=218 RTINSECONDS=147.71 CHARGE=1+ MSLEVEL=2 119.0355 2.6E4 136.0213 2.2E5 136.0619 7.0E6 137.0454 1.4E4 137.0663 2.4E5 137.1073 2.1E5 END IONS BEGIN IONS FEATURE_ID=219 PEPMASS=162.9976 SCANS=219 RTINSECONDS=147.87 CHARGE=1+ MSLEVEL=2 62.9817 6.1E4 146.0711 9.4E4 162.9976 4.8E4 164.0818 2.8E4 END IONS BEGIN IONS FEATURE_ID=220 PEPMASS=176.0738 SCANS=220 RTINSECONDS=147.992 CHARGE=1+ MSLEVEL=2 58.9949 1.9E4 72.0807 1.9E5 76.0215 1.6E4 86.9898 3.3E4 87.0262 6.7E4 105.0004 2.7E4 113.0418 2.5E4 130.0684 5.9E4 159.0474 1.1E5 176.0739 1.2E5 END IONS BEGIN IONS FEATURE_ID=221 PEPMASS=212.1027 SCANS=221 RTINSECONDS=148.275 CHARGE=1+ MSLEVEL=2 125.0708 2.1E5 153.0657 1.1E5 195.0763 2.6E5 196.0796 1.5E4 212.1030 3.5E4 END IONS BEGIN IONS FEATURE_ID=222 PEPMASS=234.0847 SCANS=222 RTINSECONDS=148.275 CHARGE=1+ MSLEVEL=2 234.0848 1.0E5 END IONS BEGIN IONS FEATURE_ID=224 PEPMASS=251.1500 SCANS=224 RTINSECONDS=149.403 CHARGE=1+ MSLEVEL=2 86.0964 3.0E4 110.0712 1.6E5 166.0610 5.4E4 178.1338 5.8E4 223.1552 4.8E4 234.1232 2.3E4 251.0455 1.4E4 251.1501 2.7E5 252.1526 1.6E4 END IONS BEGIN IONS FEATURE_ID=225 PEPMASS=170.0810 SCANS=225 RTINSECONDS=149.837 CHARGE=1+ MSLEVEL=2 89.0707 1.0E4 125.0708 6.4E4 134.0599 6.2E4 152.0705 3.5E5 153.0649 9.9E4 170.0808 1.1E5 170.0968 2.0E4 171.1497 1.4E4 END IONS BEGIN IONS FEATURE_ID=227 PEPMASS=242.0997 SCANS=227 RTINSECONDS=151.868 CHARGE=1+ MSLEVEL=2 112.0367 4.9E4 153.0521 5.1E4 224.0892 5.8E4 242.0997 6.7E5 243.1030 4.0E4 END IONS BEGIN IONS FEATURE_ID=228 PEPMASS=220.1178 SCANS=228 RTINSECONDS=151.945 CHARGE=1+ MSLEVEL=2 57.0700 2.8E4 59.0490 2.8E4 67.0543 1.7E4 69.0698 4.4E4 70.0288 1.6E4 72.0443 1.1E5 73.0282 1.7E4 83.0492 1.2E4 85.0647 8.7E4 86.0962 1.7E4 87.0802 3.3E4 90.0549 1.1E6 91.0578 2.3E4 95.0490 4.8E4 98.0236 1.2E5 100.0392 2.9E4 103.0752 1.2E5 113.0595 3.2E4 116.0341 2.0E5 124.0756 1.6E5 131.0701 1.1E4 142.0863 8.2E4 156.1022 1.4E4 160.0970 3.7E4 166.0865 2.5E4 174.1120 3.3E4 184.0967 2.8E5 185.1003 1.6E4 202.1073 3.9E5 203.1113 2.0E4 219.1753 1.0E4 220.1179 4.2E5 221.1208 1.8E4 END IONS BEGIN IONS FEATURE_ID=229 PEPMASS=221.1211 SCANS=229 RTINSECONDS=151.945 CHARGE=1+ MSLEVEL=2 57.0698 1.9E4 59.0490 2.0E4 67.0541 1.1E4 69.0697 2.5E4 70.0285 1.1E4 72.0443 6.8E4 73.0284 1.4E4 85.0647 5.1E4 87.0803 1.8E4 90.0549 6.5E5 91.0582 3.8E4 95.0489 2.5E4 98.0235 7.5E4 100.0390 1.7E4 103.0752 6.6E4 113.0597 1.6E4 116.0341 1.1E5 124.0755 8.0E4 125.0790 1.3E4 142.0861 5.6E4 160.0965 2.4E4 166.0864 1.8E4 174.1124 1.9E4 184.0967 1.4E5 185.0999 2.5E4 202.1073 2.0E5 203.1103 3.8E4 220.1178 1.8E5 221.1211 4.2E4 END IONS BEGIN IONS FEATURE_ID=231 PEPMASS=137.0457 SCANS=231 RTINSECONDS=156.781 CHARGE=1+ MSLEVEL=2 54.1057 1.0E4 94.0396 1.9E4 95.1366 1.2E4 110.0351 3.8E4 119.0353 4.1E4 121.0645 1.6E4 136.0210 9.5E4 136.0617 3.9E5 136.1125 1.4E4 137.0458 8.1E6 138.0499 2.6E5 END IONS BEGIN IONS FEATURE_ID=232 PEPMASS=167.0925 SCANS=232 RTINSECONDS=156.901 CHARGE=1+ MSLEVEL=2 81.0447 6.4E4 122.0711 1.1E5 139.0977 1.5E5 167.0926 3.5E5 167.1178 1.8E4 168.0959 1.5E4 END IONS BEGIN IONS FEATURE_ID=233 PEPMASS=159.0276 SCANS=233 RTINSECONDS=157.578 CHARGE=1+ MSLEVEL=2 112.1122 1.5E4 158.0963 1.1E4 158.1537 1.5E4 159.0278 2.2E5 END IONS BEGIN IONS FEATURE_ID=234 PEPMASS=175.0015 SCANS=234 RTINSECONDS=157.401 CHARGE=1+ MSLEVEL=2 156.1382 1.4E4 END IONS BEGIN IONS FEATURE_ID=235 PEPMASS=83.0602 SCANS=235 RTINSECONDS=161.491 CHARGE=1+ MSLEVEL=2 42.0338 1.3E4 83.0604 2.3E6 84.0633 3.3E4 END IONS BEGIN IONS FEATURE_ID=236 PEPMASS=159.0275 SCANS=236 RTINSECONDS=160.271 CHARGE=1+ MSLEVEL=2 112.1120 1.5E4 158.0963 1.0E4 159.0276 6.5E4 END IONS BEGIN IONS FEATURE_ID=238 PEPMASS=269.1075 SCANS=238 RTINSECONDS=164.016 CHARGE=1+ MSLEVEL=2 55.0177 8.0E4 57.0335 1.9E5 59.0491 2.9E4 61.0284 2.8E4 61.9509 1.3E4 69.0334 4.1E4 69.3061 1.5E4 71.0130 2.2E4 73.0283 7.8E4 85.0285 1.3E5 87.0440 3.2E4 87.5393 1.3E4 97.0283 4.5E4 103.0390 3.5E4 115.0389 1.4E5 117.4301 1.1E4 119.0359 1.5E4 127.4463 1.4E4 128.5947 1.4E4 133.0491 1.6E5 136.0620 1.6E7 137.0663 1.5E6 138.0622 1.3E4 178.0727 2.2E4 239.5719 1.2E4 268.1040 1.4E6 269.1068 3.8E5 270.1089 1.2E4 287.0923 1.2E4 END IONS BEGIN IONS FEATURE_ID=239 PEPMASS=136.0616 SCANS=239 RTINSECONDS=163.966 CHARGE=1+ MSLEVEL=2 135.0917 2.3E4 136.0215 1.8E5 136.0618 8.5E5 136.1118 2.2E4 137.0458 5.0E5 137.0655 2.8E4 END IONS BEGIN IONS FEATURE_ID=240 PEPMASS=268.1039 SCANS=240 RTINSECONDS=164.135 CHARGE=1+ MSLEVEL=2 55.0178 1.4E5 57.0335 2.5E5 58.9246 4.2E4 69.0334 6.8E4 73.0285 1.6E5 75.9033 4.4E4 85.0284 2.1E5 87.0439 4.4E4 97.0285 8.0E4 101.4125 4.2E4 115.0392 2.1E5 133.0492 3.2E5 136.0618 3.0E7 137.0660 7.3E5 178.7204 3.9E4 186.6429 3.8E4 237.0146 3.7E4 261.0937 4.1E4 268.1038 3.6E6 269.1062 2.4E5 END IONS BEGIN IONS FEATURE_ID=241 PEPMASS=124.0867 SCANS=241 RTINSECONDS=164.796 CHARGE=1+ MSLEVEL=2 42.0338 1.0E4 123.0551 3.9E4 123.0915 7.3E4 124.0400 1.2E4 124.0867 2.9E5 125.0911 1.2E4 END IONS BEGIN IONS FEATURE_ID=242 PEPMASS=206.0455 SCANS=242 RTINSECONDS=164.381 CHARGE=1+ MSLEVEL=2 86.0965 1.2E4 146.9722 3.6E4 206.0456 7.4E4 END IONS BEGIN IONS FEATURE_ID=246 PEPMASS=169.0581 SCANS=246 RTINSECONDS=165.737 CHARGE=1+ MSLEVEL=2 134.0601 1.4E4 152.0325 1.0E4 152.0705 8.1E4 169.0582 5.7E4 170.0808 2.6E4 170.0967 1.1E4 END IONS BEGIN IONS FEATURE_ID=247 PEPMASS=147.0762 SCANS=247 RTINSECONDS=165.807 CHARGE=1+ MSLEVEL=2 72.0806 1.5E4 86.0599 8.3E4 100.0216 2.1E4 123.9642 4.8E4 146.0270 1.5E4 END IONS BEGIN IONS FEATURE_ID=249 PEPMASS=251.1500 SCANS=249 RTINSECONDS=168.577 CHARGE=1+ MSLEVEL=2 86.0964 1.6E4 110.0712 8.4E4 166.0611 3.4E4 178.1336 2.8E4 223.1553 2.2E4 251.0471 1.1E4 251.1500 1.7E5 252.1531 1.3E4 END IONS BEGIN IONS FEATURE_ID=250 PEPMASS=124.0867 SCANS=250 RTINSECONDS=167.146 CHARGE=1+ MSLEVEL=2 123.0551 4.5E4 123.0916 4.4E4 124.0400 1.3E4 124.0771 1.0E4 124.0867 2.8E5 END IONS BEGIN IONS FEATURE_ID=251 PEPMASS=166.0721 SCANS=251 RTINSECONDS=171.136 CHARGE=1+ MSLEVEL=2 120.0808 1.4E4 148.0869 1.4E4 149.0460 2.1E4 166.0724 2.9E5 167.0564 2.3E4 167.0919 1.9E4 END IONS BEGIN IONS FEATURE_ID=252 PEPMASS=86.0963 SCANS=252 RTINSECONDS=173.622 CHARGE=1+ MSLEVEL=2 86.0598 1.6E4 86.0963 6.5E5 87.0997 1.2E4 END IONS BEGIN IONS FEATURE_ID=253 PEPMASS=162.0582 SCANS=253 RTINSECONDS=175.353 CHARGE=1+ MSLEVEL=2 55.0178 1.9E4 58.0651 2.6E5 58.9950 3.2E4 73.0106 3.9E4 76.0216 2.0E4 86.9899 5.3E4 99.0262 4.9E4 105.0004 4.1E4 116.0528 9.0E4 145.0317 1.9E5 162.0583 1.2E5 END IONS BEGIN IONS FEATURE_ID=254 PEPMASS=158.0811 SCANS=254 RTINSECONDS=182.507 CHARGE=1+ MSLEVEL=2 44.0494 2.0E5 84.0807 1.1E4 112.0756 1.8E5 112.1118 1.8E4 114.0545 1.3E4 140.0704 8.9E4 158.0811 1.2E6 158.1543 1.3E4 159.0845 5.7E4 END IONS BEGIN IONS FEATURE_ID=255 PEPMASS=124.0393 SCANS=255 RTINSECONDS=199.99 CHARGE=1+ MSLEVEL=2 80.0494 5.7E4 96.0444 2.6E4 123.0551 5.0E4 123.0913 3.3E4 124.0394 4.5E6 124.0868 4.9E5 125.0428 2.1E5 125.0901 1.5E4 END IONS BEGIN IONS FEATURE_ID=256 PEPMASS=131.1177 SCANS=256 RTINSECONDS=212.777 CHARGE=1+ MSLEVEL=2 86.0964 2.3E5 130.1589 3.4E4 132.1021 1.0E4 END IONS BEGIN IONS FEATURE_ID=259 PEPMASS=147.0301 SCANS=259 RTINSECONDS=216.614 CHARGE=1+ MSLEVEL=2 42.0338 6.8E4 57.9878 2.7E4 58.9949 1.5E6 59.9947 2.7E4 59.9984 4.3E4 60.9909 5.2E4 67.9832 1.1E4 76.0214 8.0E4 86.9898 2.4E6 87.9936 1.5E5 88.9858 1.2E5 100.0216 1.5E7 101.0253 1.1E6 102.0172 9.4E5 102.0239 1.8E4 105.0004 4.8E6 106.0041 3.2E5 106.9962 3.0E5 107.0047 2.3E4 118.0318 8.9E4 123.0106 1.7E4 139.8262 1.3E4 146.0271 1.2E7 147.0303 1.5E6 148.0220 8.1E5 END IONS BEGIN IONS FEATURE_ID=265 PEPMASS=237.1343 SCANS=265 RTINSECONDS=213.256 CHARGE=1+ MSLEVEL=2 72.0807 2.1E4 110.0712 1.3E5 164.1181 4.0E4 166.0611 5.5E4 209.1397 4.2E4 220.1086 1.6E4 236.1227 1.2E4 237.1346 2.5E5 238.0122 1.5E4 238.1382 1.9E4 END IONS BEGIN IONS FEATURE_ID=268 PEPMASS=104.1069 SCANS=268 RTINSECONDS=216.937 CHARGE=1+ MSLEVEL=2 40.7212 3.2E4 45.0335 1.5E5 58.0657 1.2E5 60.0807 6.7E5 65.5864 4.2E4 75.4193 3.4E4 104.1070 3.0E7 105.1104 5.6E5 END IONS BEGIN IONS FEATURE_ID=270 PEPMASS=105.1102 SCANS=270 RTINSECONDS=214.64 CHARGE=1+ MSLEVEL=2 45.0334 1.2E5 58.0657 6.4E4 59.0727 2.4E4 60.0807 6.1E5 61.0839 2.5E4 104.1069 1.8E7 105.1103 1.5E6 106.1116 2.4E4 END IONS BEGIN IONS FEATURE_ID=276 PEPMASS=356.9922 SCANS=276 RTINSECONDS=216.567 CHARGE=1+ MSLEVEL=2 144.0026 1.1E4 189.9909 2.5E6 190.9936 9.5E4 356.9906 1.4E4 END IONS BEGIN IONS FEATURE_ID=277 PEPMASS=257.1006 SCANS=277 RTINSECONDS=216.126 CHARGE=1+ MSLEVEL=2 257.1006 5.1E5 258.1037 3.5E4 END IONS BEGIN IONS FEATURE_ID=278 PEPMASS=235.1188 SCANS=278 RTINSECONDS=216.626 CHARGE=1+ MSLEVEL=2 70.0650 2.7E5 82.0524 5.6E4 83.0601 1.4E4 95.0606 1.0E4 110.0711 8.4E5 111.0742 2.6E4 121.0390 2.1E4 122.0711 1.0E4 123.0553 1.3E4 138.0661 6.8E4 149.0703 1.3E4 162.1024 1.9E5 166.0610 1.6E5 190.0975 2.2E4 207.1239 1.9E5 217.1080 8.0E4 218.0913 1.7E4 235.1187 3.8E6 236.1219 2.9E5 END IONS BEGIN IONS FEATURE_ID=279 PEPMASS=104.1069 SCANS=279 RTINSECONDS=217.526 CHARGE=1+ MSLEVEL=2 45.0334 5.9E4 58.0656 5.0E4 59.0730 1.1E4 60.0807 3.5E5 104.1070 1.4E7 105.1023 1.8E4 105.1103 2.8E5 END IONS BEGIN IONS FEATURE_ID=281 PEPMASS=146.0269 SCANS=281 RTINSECONDS=217.034 CHARGE=1+ MSLEVEL=2 42.0338 1.5E5 56.1307 7.6E4 58.9949 2.1E6 65.3649 8.6E4 86.9898 4.5E6 89.0682 8.3E4 95.5109 1.0E5 100.0215 2.8E7 101.0252 8.7E5 105.0004 9.8E6 106.0036 1.5E5 118.0318 2.0E5 121.2117 7.3E4 127.4491 7.7E4 146.0270 3.0E7 147.0303 1.2E6 END IONS BEGIN IONS FEATURE_ID=282 PEPMASS=189.9907 SCANS=282 RTINSECONDS=217.122 CHARGE=1+ MSLEVEL=2 74.0982 1.0E4 84.6588 1.0E4 93.7871 1.2E4 128.6721 1.1E4 144.0032 2.7E4 148.9639 1.5E4 164.4669 1.0E4 189.9909 1.6E6 190.9941 5.8E4 END IONS BEGIN IONS FEATURE_ID=284 PEPMASS=104.1069 SCANS=284 RTINSECONDS=217.91 CHARGE=1+ MSLEVEL=2 41.9628 3.2E4 45.0335 1.9E5 58.0659 9.7E4 60.0807 8.0E5 60.0843 5.9E4 61.2605 3.1E4 104.1070 3.0E7 105.1104 5.7E5 END IONS BEGIN IONS FEATURE_ID=285 PEPMASS=105.1102 SCANS=285 RTINSECONDS=218.601 CHARGE=1+ MSLEVEL=2 45.0334 1.0E5 58.0656 6.7E4 59.0726 1.5E4 60.0807 5.3E5 61.0841 1.9E4 104.1070 1.6E7 105.1104 1.3E6 106.1118 2.4E4 END IONS BEGIN IONS FEATURE_ID=286 PEPMASS=270.1921 SCANS=286 RTINSECONDS=220.959 CHARGE=1+ MSLEVEL=2 60.0556 1.3E4 98.0598 3.1E4 135.0031 1.4E4 141.1028 1.3E4 182.1647 1.3E4 183.1490 1.4E5 210.1594 1.9E4 211.1439 5.6E5 212.1474 3.3E4 253.1656 7.7E4 270.1922 5.2E5 271.1950 4.6E4 END IONS BEGIN IONS FEATURE_ID=289 PEPMASS=307.0436 SCANS=289 RTINSECONDS=233.121 CHARGE=1+ MSLEVEL=2 175.0016 2.3E5 307.0438 1.7E5 308.0475 1.6E4 END IONS BEGIN IONS FEATURE_ID=297 PEPMASS=291.0697 SCANS=297 RTINSECONDS=234.066 CHARGE=1+ MSLEVEL=2 100.6320 2.0E4 159.0278 1.4E7 160.0314 3.8E5 291.0699 8.9E5 292.0729 5.3E4 END IONS BEGIN IONS FEATURE_ID=298 PEPMASS=257.1006 SCANS=298 RTINSECONDS=234.285 CHARGE=1+ MSLEVEL=2 257.1007 3.6E5 258.1036 2.7E4 END IONS BEGIN IONS FEATURE_ID=299 PEPMASS=270.1921 SCANS=299 RTINSECONDS=239.513 CHARGE=1+ MSLEVEL=2 183.1492 3.5E4 211.1439 1.4E5 253.1666 1.8E4 270.1923 1.2E5 END IONS BEGIN IONS FEATURE_ID=305 PEPMASS=235.1187 SCANS=305 RTINSECONDS=239.089 CHARGE=1+ MSLEVEL=2 70.0651 2.3E5 82.0525 4.5E4 83.0603 1.2E4 95.0602 1.1E4 110.0712 7.3E5 111.0750 1.4E4 123.0556 1.6E4 138.0662 5.0E4 162.1025 1.8E5 166.0611 1.6E5 190.0976 2.7E4 207.1238 1.6E5 208.1270 1.1E4 217.1085 7.8E4 218.0924 2.0E4 235.1189 2.9E6 236.1217 2.2E5 END IONS BEGIN IONS FEATURE_ID=307 PEPMASS=146.0269 SCANS=307 RTINSECONDS=238.84 CHARGE=1+ MSLEVEL=2 58.9950 1.2E5 86.9898 2.4E5 100.0215 1.6E6 101.0251 3.9E4 105.0004 5.4E5 106.0033 1.1E4 118.0319 1.2E4 121.9660 2.5E4 123.9642 2.0E4 146.0270 1.6E6 147.0304 6.1E4 END IONS BEGIN IONS FEATURE_ID=308 PEPMASS=314.0914 SCANS=308 RTINSECONDS=239.349 CHARGE=1+ MSLEVEL=2 97.0283 4.0E5 136.0618 7.3E5 137.0649 1.6E4 143.0162 3.0E4 164.0566 6.8E4 178.0724 3.3E4 179.0373 1.9E4 248.0784 1.1E4 257.0510 6.1E4 296.0814 3.4E4 314.0917 7.0E4 END IONS BEGIN IONS FEATURE_ID=310 PEPMASS=269.0878 SCANS=310 RTINSECONDS=239.827 CHARGE=1+ MSLEVEL=2 136.0618 9.3E4 137.0458 1.3E6 138.0501 3.7E4 183.1491 4.6E4 211.1441 1.8E5 253.1657 2.6E4 270.1924 1.7E5 END IONS BEGIN IONS FEATURE_ID=311 PEPMASS=270.1921 SCANS=311 RTINSECONDS=239.925 CHARGE=1+ MSLEVEL=2 60.0556 1.4E4 86.0965 1.1E4 98.0601 2.5E4 141.1021 1.2E4 182.1650 1.3E4 183.1491 1.2E5 210.1598 1.6E4 211.1440 4.9E5 212.1474 3.6E4 253.1660 5.8E4 270.1923 4.5E5 271.1956 3.5E4 END IONS BEGIN IONS FEATURE_ID=313 PEPMASS=137.0456 SCANS=313 RTINSECONDS=240.144 CHARGE=1+ MSLEVEL=2 60.1885 5.1E4 70.8801 5.5E4 77.8336 5.2E4 94.0399 1.6E5 110.0347 3.0E5 119.0350 1.9E5 136.0209 6.5E4 137.0458 5.2E7 138.0500 1.8E6 END IONS BEGIN IONS FEATURE_ID=314 PEPMASS=268.1037 SCANS=314 RTINSECONDS=240.23 CHARGE=1+ MSLEVEL=2 136.0617 3.3E5 137.0462 1.9E4 268.1041 2.5E4 END IONS BEGIN IONS FEATURE_ID=315 PEPMASS=163.0534 SCANS=315 RTINSECONDS=242.549 CHARGE=1+ MSLEVEL=2 42.0338 2.4E4 58.9949 2.7E4 59.0603 1.6E5 76.0215 7.6E4 86.9898 6.0E4 100.0214 7.8E4 105.0003 1.0E5 117.0479 8.4E4 122.0268 6.2E4 129.0662 1.7E4 146.0270 5.0E4 163.0535 4.0E5 164.0560 1.3E4 END IONS BEGIN IONS FEATURE_ID=317 PEPMASS=152.0565 SCANS=317 RTINSECONDS=240.574 CHARGE=1+ MSLEVEL=2 59.3232 1.1E4 109.0507 4.5E4 110.0348 2.0E5 110.0439 1.9E4 128.0454 6.9E4 134.0464 2.3E4 135.0299 3.5E5 136.0333 1.7E4 152.0567 9.2E6 153.0405 4.7E5 153.0593 3.8E5 154.0437 2.1E4 171.2754 1.1E4 END IONS BEGIN IONS FEATURE_ID=321 PEPMASS=148.0426 SCANS=321 RTINSECONDS=240.759 CHARGE=1+ MSLEVEL=2 44.0494 2.1E6 44.1706 1.2E4 45.0527 3.7E4 46.6693 1.2E4 55.0178 9.7E4 58.9949 4.4E5 65.0972 1.2E4 74.6088 1.0E4 75.0259 1.4E4 76.0215 4.3E5 78.5822 1.1E4 82.8762 1.1E4 83.4965 1.1E4 85.0105 8.5E5 86.0140 1.6E4 86.9898 7.5E5 87.9933 2.0E4 88.0391 8.3E4 89.0053 3.5E4 89.7198 1.2E4 101.0249 1.7E4 102.0175 3.8E4 102.0371 1.5E6 103.0406 5.8E4 105.0003 6.9E5 106.0041 1.5E4 113.0058 1.4E4 120.0474 5.4E4 131.0160 1.3E6 132.0192 6.3E4 147.0300 2.3E4 148.0425 2.1E6 149.0231 4.3E4 149.0459 9.4E4 END IONS BEGIN IONS FEATURE_ID=324 PEPMASS=213.0867 SCANS=324 RTINSECONDS=241.133 CHARGE=1+ MSLEVEL=2 70.0652 1.1E4 125.0709 3.3E5 153.0659 1.1E5 195.0764 5.8E5 196.0796 3.2E4 213.0872 4.6E4 214.1099 1.5E4 END IONS BEGIN IONS FEATURE_ID=334 PEPMASS=245.1857 SCANS=334 RTINSECONDS=248.176 CHARGE=1+ MSLEVEL=2 69.0697 1.7E4 86.0964 4.7E5 87.0998 1.3E4 132.1017 1.4E4 245.1859 1.2E4 END IONS BEGIN IONS FEATURE_ID=345 PEPMASS=134.1174 SCANS=345 RTINSECONDS=249.773 CHARGE=1+ MSLEVEL=2 45.0334 1.4E4 72.0807 8.6E4 86.0963 4.0E4 90.0912 1.9E5 134.1175 3.2E6 135.1211 1.4E5 END IONS BEGIN IONS FEATURE_ID=348 PEPMASS=163.0534 SCANS=348 RTINSECONDS=251.81 CHARGE=1+ MSLEVEL=2 42.0338 2.4E4 44.0494 1.1E4 58.9950 2.3E4 59.0603 1.5E5 76.0215 7.6E4 86.9897 5.7E4 100.0214 6.0E4 105.0004 7.8E4 117.0480 7.2E4 120.0110 1.2E4 122.0269 5.5E4 129.0659 1.3E4 146.0269 4.2E4 163.0535 3.9E5 164.0566 1.5E4 END IONS BEGIN IONS FEATURE_ID=349 PEPMASS=137.0456 SCANS=349 RTINSECONDS=251.969 CHARGE=1+ MSLEVEL=2 136.0215 6.7E4 136.0619 5.6E4 137.0458 1.5E6 138.0496 4.9E4 END IONS BEGIN IONS FEATURE_ID=352 PEPMASS=268.1038 SCANS=352 RTINSECONDS=252.719 CHARGE=1+ MSLEVEL=2 136.0618 3.2E5 268.1038 3.5E4 END IONS BEGIN IONS FEATURE_ID=353 PEPMASS=229.1180 SCANS=353 RTINSECONDS=253.759 CHARGE=1+ MSLEVEL=2 72.0808 1.4E5 84.0444 1.4E5 118.0862 1.2E5 138.0912 1.3E4 155.1183 1.2E4 183.1128 1.7E5 184.1158 1.1E4 229.1194 1.9E4 END IONS BEGIN IONS FEATURE_ID=354 PEPMASS=245.1857 SCANS=354 RTINSECONDS=252.583 CHARGE=1+ MSLEVEL=2 69.0699 1.5E4 86.0964 4.4E5 132.1019 1.6E4 245.1855 1.0E4 END IONS BEGIN IONS FEATURE_ID=356 PEPMASS=200.1028 SCANS=356 RTINSECONDS=255.449 CHARGE=1+ MSLEVEL=2 56.0494 1.6E4 74.0964 1.2E4 87.0439 4.1E4 114.0660 2.4E4 122.0602 1.2E4 136.0756 1.7E4 137.0706 1.1E4 140.0703 2.6E4 154.0853 4.2E4 154.0978 1.6E5 182.0932 1.2E5 200.1049 1.9E5 201.1083 1.1E4 END IONS BEGIN IONS FEATURE_ID=357 PEPMASS=268.1038 SCANS=357 RTINSECONDS=253.073 CHARGE=1+ MSLEVEL=2 136.0618 2.1E5 268.1039 3.3E4 END IONS BEGIN IONS FEATURE_ID=358 PEPMASS=270.1922 SCANS=358 RTINSECONDS=256.765 CHARGE=1+ MSLEVEL=2 98.0597 1.0E4 183.1491 3.7E4 211.1439 1.7E5 212.1474 1.1E4 253.1656 2.4E4 270.1919 1.4E5 271.1954 1.3E4 END IONS BEGIN IONS FEATURE_ID=359 PEPMASS=189.9908 SCANS=359 RTINSECONDS=259.639 CHARGE=1+ MSLEVEL=2 189.9908 1.6E5 END IONS BEGIN IONS FEATURE_ID=360 PEPMASS=134.1174 SCANS=360 RTINSECONDS=257.07 CHARGE=1+ MSLEVEL=2 72.0807 8.8E4 86.0963 3.9E4 90.0913 1.5E5 134.1176 2.6E6 135.1211 1.2E5 END IONS BEGIN IONS FEATURE_ID=361 PEPMASS=242.1861 SCANS=361 RTINSECONDS=260.602 CHARGE=1+ MSLEVEL=2 84.0807 2.1E4 86.0964 1.5E4 112.0756 1.0E4 141.1023 3.0E4 169.0969 1.0E4 197.1647 3.2E4 225.1597 1.6E5 226.1627 1.3E4 242.1863 8.1E4 END IONS BEGIN IONS FEATURE_ID=362 PEPMASS=304.1765 SCANS=362 RTINSECONDS=284.412 CHARGE=1+ MSLEVEL=2 98.0599 1.4E4 120.0809 1.0E4 217.1334 5.9E4 244.1450 1.4E4 245.1284 2.4E5 246.1314 1.8E4 287.1503 3.0E4 304.1766 1.7E5 305.1812 1.5E4 END IONS BEGIN IONS FEATURE_ID=363 PEPMASS=172.1329 SCANS=363 RTINSECONDS=285.54 CHARGE=1+ MSLEVEL=2 112.1120 4.3E5 113.1157 1.4E4 171.1492 2.1E4 172.1331 6.8E5 173.1364 3.8E4 END IONS BEGIN IONS FEATURE_ID=364 PEPMASS=189.9906 SCANS=364 RTINSECONDS=286.365 CHARGE=1+ MSLEVEL=2 119.0686 1.3E4 144.1019 1.3E4 145.0844 1.4E4 146.0600 1.3E4 147.0634 5.7E4 189.0738 2.3E4 189.9908 1.3E5 END IONS BEGIN IONS FEATURE_ID=367 PEPMASS=159.0914 SCANS=367 RTINSECONDS=288.653 CHARGE=1+ MSLEVEL=2 112.1118 1.9E4 114.0369 1.2E4 130.0650 4.2E4 132.0807 1.9E5 142.0650 3.2E4 158.0824 1.2E4 159.0916 4.1E5 160.0756 2.8E4 160.0947 2.6E4 END IONS BEGIN IONS FEATURE_ID=371 PEPMASS=120.0806 SCANS=371 RTINSECONDS=290.632 CHARGE=1+ MSLEVEL=2 42.0338 2.0E4 77.0390 1.2E4 79.0542 1.9E4 91.0540 8.0E4 93.0697 3.5E5 94.0732 2.1E4 103.0541 9.5E5 104.0576 4.5E4 118.0652 3.1E4 119.0730 1.6E4 120.0808 1.4E7 121.0397 1.2E4 121.0842 6.9E5 END IONS BEGIN IONS FEATURE_ID=372 PEPMASS=167.0894 SCANS=372 RTINSECONDS=290.739 CHARGE=1+ MSLEVEL=2 77.0394 1.2E4 79.0542 1.6E4 91.0547 1.7E4 93.0696 2.7E4 103.0540 2.3E5 104.0574 3.4E4 105.0368 3.0E4 107.0489 1.8E5 108.0525 2.1E4 120.0807 8.5E6 121.0842 1.2E6 122.0874 2.3E4 131.0490 3.0E5 132.0522 5.3E4 149.0595 1.3E5 150.0632 2.2E4 166.0860 4.6E5 167.0898 7.8E4 END IONS BEGIN IONS FEATURE_ID=373 PEPMASS=266.0744 SCANS=373 RTINSECONDS=289.184 CHARGE=1+ MSLEVEL=2 72.0808 1.1E5 134.0324 2.1E6 135.0368 3.4E4 155.0326 2.7E4 166.0860 2.1E4 266.0746 6.1E5 267.0781 2.1E4 END IONS BEGIN IONS FEATURE_ID=375 PEPMASS=249.0607 SCANS=375 RTINSECONDS=289.262 CHARGE=1+ MSLEVEL=2 117.9877 1.2E4 118.9956 1.5E4 249.0610 6.1E5 250.0645 4.1E4 END IONS BEGIN IONS FEATURE_ID=378 PEPMASS=205.0970 SCANS=378 RTINSECONDS=289.4 CHARGE=1+ MSLEVEL=2 118.0649 8.1E4 130.0653 1.8E4 132.0806 8.5E4 142.0654 1.4E4 143.0724 1.0E4 144.0806 2.3E5 145.0853 1.9E4 146.0599 1.2E6 147.0634 6.2E4 159.0916 1.5E5 160.0761 1.1E4 170.0599 6.9E4 188.0705 1.7E6 189.0739 1.2E5 205.0969 2.5E4 END IONS BEGIN IONS FEATURE_ID=380 PEPMASS=188.0704 SCANS=380 RTINSECONDS=289.482 CHARGE=1+ MSLEVEL=2 45.8220 1.2E4 50.6267 1.1E4 58.9851 1.3E4 59.9043 1.3E4 82.3246 1.2E4 91.0550 1.8E4 106.7931 1.2E4 115.0538 1.6E4 117.0589 1.1E4 117.0698 6.1E4 118.0650 7.9E5 119.0685 2.4E4 132.0804 2.3E4 137.2975 1.1E4 142.0648 1.2E5 143.0728 1.1E5 144.0443 3.3E4 144.0807 9.2E5 145.0647 1.5E4 145.0844 6.1E4 146.0600 4.6E6 147.0635 1.9E5 160.0760 3.8E4 170.0599 3.2E5 170.0769 2.2E4 171.0630 1.6E4 188.0705 1.7E6 189.0741 8.9E4 END IONS BEGIN IONS FEATURE_ID=384 PEPMASS=188.0704 SCANS=384 RTINSECONDS=289.594 CHARGE=1+ MSLEVEL=2 115.0547 1.2E4 117.0695 4.4E4 118.0649 5.9E5 119.0687 2.0E4 132.0808 1.2E4 142.0649 7.9E4 143.0728 8.3E4 144.0453 1.8E4 144.0806 6.4E5 145.0837 2.4E4 146.0600 2.9E6 147.0634 1.2E5 160.0755 3.4E4 170.0599 2.1E5 171.0633 1.1E4 188.0704 1.1E6 189.0735 5.9E4 END IONS BEGIN IONS FEATURE_ID=385 PEPMASS=266.0744 SCANS=385 RTINSECONDS=289.296 CHARGE=1+ MSLEVEL=2 72.0807 1.7E5 120.0806 2.2E4 122.0711 2.5E4 134.0324 8.6E5 135.0363 1.7E4 166.0860 2.7E4 266.0746 2.2E5 END IONS BEGIN IONS FEATURE_ID=390 PEPMASS=166.0861 SCANS=390 RTINSECONDS=290.792 CHARGE=1+ MSLEVEL=2 40.3284 2.8E4 40.4470 2.4E4 40.5267 2.5E4 40.9589 2.7E4 41.6186 2.5E4 56.0730 2.6E4 67.9322 3.1E4 91.0546 3.2E4 103.0540 4.9E5 105.0364 5.0E4 107.0489 4.3E5 120.0807 2.3E7 121.0842 1.3E6 127.5372 2.9E4 131.0489 8.9E5 132.0526 5.8E4 149.0597 4.2E5 150.0621 4.3E4 161.0719 3.4E4 162.2863 3.1E4 166.0860 1.5E6 167.0892 9.8E4 END IONS BEGIN IONS FEATURE_ID=391 PEPMASS=146.0268 SCANS=391 RTINSECONDS=290.853 CHARGE=1+ MSLEVEL=2 58.9949 1.2E5 72.0807 1.2E4 76.0214 1.1E4 86.9899 2.2E5 100.0215 1.4E6 101.0253 3.5E4 105.0004 4.7E5 118.0320 1.2E4 118.0654 2.3E4 121.9659 3.5E4 123.9641 2.7E4 146.0270 1.4E6 147.0303 5.2E4 END IONS BEGIN IONS FEATURE_ID=392 PEPMASS=120.0806 SCANS=392 RTINSECONDS=291.03 CHARGE=1+ MSLEVEL=2 42.0337 2.5E4 46.5204 1.3E4 56.8822 1.3E4 66.1624 1.1E4 77.0390 2.0E4 78.7958 1.2E4 79.0542 1.7E4 91.0541 1.1E5 93.0697 4.8E5 94.0729 1.8E4 103.0541 1.3E6 104.0577 6.9E4 118.0652 3.9E4 119.0701 2.0E4 120.0808 1.9E7 121.0841 9.9E5 END IONS BEGIN IONS FEATURE_ID=393 PEPMASS=176.1133 SCANS=393 RTINSECONDS=291.031 CHARGE=1+ MSLEVEL=2 100.0934 1.0E4 111.0810 1.1E5 114.0725 8.4E4 128.1008 8.2E4 129.1047 4.6E6 140.0794 1.4E5 158.0899 7.2E4 176.1134 3.0E5 END IONS BEGIN IONS FEATURE_ID=405 PEPMASS=124.0867 SCANS=405 RTINSECONDS=291.697 CHARGE=1+ MSLEVEL=2 42.0338 9.7E4 83.0603 2.3E4 123.0551 3.2E4 123.0915 3.3E4 124.0399 2.4E4 124.0868 6.6E5 125.0910 2.0E4 END IONS BEGIN IONS FEATURE_ID=406 PEPMASS=242.1860 SCANS=406 RTINSECONDS=293.63 CHARGE=1+ MSLEVEL=2 84.0807 2.9E4 86.0964 2.4E4 112.0756 1.7E4 141.1022 6.1E4 197.1648 5.2E4 225.1597 2.4E5 226.1633 1.8E4 242.1862 1.2E5 END IONS BEGIN IONS FEATURE_ID=414 PEPMASS=167.0894 SCANS=414 RTINSECONDS=291.502 CHARGE=1+ MSLEVEL=2 79.0543 1.4E4 93.0696 1.5E4 103.0541 1.4E5 104.0576 2.5E4 105.0369 3.2E4 107.0490 1.0E5 108.0529 1.5E4 120.0808 5.2E6 121.0842 1.0E6 122.0882 2.1E4 131.0490 1.8E5 132.0523 4.0E4 149.0595 7.5E4 150.0631 1.7E4 166.0861 3.1E5 167.0735 1.6E4 167.0896 7.5E4 END IONS BEGIN IONS FEATURE_ID=415 PEPMASS=188.0704 SCANS=415 RTINSECONDS=291.211 CHARGE=1+ MSLEVEL=2 117.0699 2.5E4 118.0650 3.4E5 119.0686 1.2E4 142.0652 4.0E4 143.0729 5.3E4 144.0440 1.5E4 144.0806 3.8E5 145.0838 1.6E4 146.0599 1.8E6 147.0636 7.8E4 160.0762 2.2E4 170.0599 1.3E5 188.0704 6.1E5 189.0743 3.4E4 END IONS BEGIN IONS FEATURE_ID=432 PEPMASS=132.1018 SCANS=432 RTINSECONDS=304.247 CHARGE=1+ MSLEVEL=2 43.0548 2.4E5 44.0495 5.9E5 45.1734 6.6E4 51.1158 6.2E4 56.0499 7.3E4 86.0964 8.1E7 87.0995 8.4E5 132.1018 3.1E6 132.4988 6.9E4 133.1051 8.8E6 END IONS BEGIN IONS FEATURE_ID=439 PEPMASS=134.1084 SCANS=439 RTINSECONDS=304.495 CHARGE=1+ MSLEVEL=2 41.0388 5.4E4 43.0422 3.7E4 43.0541 2.7E5 44.0495 8.3E5 44.0518 6.0E4 47.2298 3.1E4 56.0498 4.3E4 69.0698 8.5E4 72.0971 3.5E4 73.0649 3.8E4 86.0964 5.4E7 87.0937 4.4E5 87.0996 8.2E6 88.1027 1.5E5 119.9303 3.2E4 133.1052 6.3E6 134.1087 8.9E5 135.1101 6.0E4 END IONS BEGIN IONS FEATURE_ID=440 PEPMASS=133.1051 SCANS=440 RTINSECONDS=304.548 CHARGE=1+ MSLEVEL=2 42.4863 1.9E5 43.0544 4.0E5 44.0495 1.4E6 47.9640 1.8E5 56.0496 2.0E5 58.2369 1.7E5 62.6568 1.9E5 75.6612 2.0E5 77.5675 2.1E5 82.3559 1.7E5 86.0964 1.5E8 87.0935 5.7E5 87.0996 7.7E6 132.1016 2.0E6 133.1051 1.6E7 134.1083 7.7E5 END IONS BEGIN IONS FEATURE_ID=441 PEPMASS=132.1018 SCANS=441 RTINSECONDS=304.548 CHARGE=1+ MSLEVEL=2 43.0545 3.2E5 44.0494 1.4E6 45.7720 1.7E5 86.0964 1.4E8 87.0995 1.6E6 132.1018 4.5E6 133.1052 1.4E7 END IONS BEGIN IONS FEATURE_ID=442 PEPMASS=254.1609 SCANS=442 RTINSECONDS=304.574 CHARGE=1+ MSLEVEL=2 51.6668 1.0E4 70.0651 3.3E4 98.0602 3.2E4 112.0871 1.3E4 125.0709 6.6E4 166.1339 3.4E4 167.1179 1.7E5 185.1038 1.5E4 194.1061 1.6E4 194.1287 3.0E5 194.1504 1.9E4 195.1128 2.9E6 196.1162 1.8E5 212.1387 3.9E4 220.1081 2.2E4 237.1342 1.4E5 253.1531 2.2E4 254.1611 2.5E6 255.1642 1.9E5 END IONS BEGIN IONS FEATURE_ID=444 PEPMASS=86.0963 SCANS=444 RTINSECONDS=304.627 CHARGE=1+ MSLEVEL=2 41.0386 5.5E5 42.0337 1.6E5 43.0542 1.7E6 44.0494 4.9E6 57.6371 6.3E4 69.0699 2.8E5 71.2480 5.8E4 78.7363 5.3E4 86.0964 1.8E7 87.0997 3.4E5 END IONS BEGIN IONS FEATURE_ID=460 PEPMASS=231.1700 SCANS=460 RTINSECONDS=309.464 CHARGE=1+ MSLEVEL=2 55.0542 1.6E4 69.0699 2.8E4 72.0807 4.8E5 86.0963 1.0E6 87.0995 2.8E4 118.0862 1.6E4 132.1015 3.8E4 185.1649 2.9E4 231.1705 4.6E4 END IONS BEGIN IONS FEATURE_ID=462 PEPMASS=86.0964 SCANS=462 RTINSECONDS=304.824 CHARGE=1+ MSLEVEL=2 41.0385 3.1E5 42.0339 4.2E4 43.0542 9.6E5 44.0389 3.1E4 44.0494 2.9E6 45.0525 2.7E4 49.5176 2.5E4 69.0699 1.5E5 71.6478 2.5E4 76.3350 2.3E4 86.0964 9.0E6 87.0997 1.3E5 107.8476 2.3E4 END IONS BEGIN IONS FEATURE_ID=464 PEPMASS=132.1018 SCANS=464 RTINSECONDS=304.798 CHARGE=1+ MSLEVEL=2 41.0390 1.1E5 43.0548 2.4E5 44.0494 5.6E5 86.0964 8.0E7 87.0996 9.7E5 88.8181 8.8E4 98.8861 7.0E4 116.5823 8.0E4 131.3042 8.1E4 132.1018 3.8E6 133.1051 1.1E7 END IONS BEGIN IONS FEATURE_ID=465 PEPMASS=133.1051 SCANS=465 RTINSECONDS=304.798 CHARGE=1+ MSLEVEL=2 43.0548 3.9E5 44.0494 1.2E6 51.8310 1.5E5 86.0964 1.2E8 87.0935 3.4E5 87.0996 5.5E6 87.2540 1.8E5 132.1017 2.0E6 133.1051 1.5E7 134.1082 7.4E5 END IONS BEGIN IONS FEATURE_ID=466 PEPMASS=134.1084 SCANS=466 RTINSECONDS=304.745 CHARGE=1+ MSLEVEL=2 41.0386 3.8E4 43.0424 2.1E4 43.0542 1.4E5 44.0494 4.7E5 44.0579 1.8E4 45.0528 2.7E4 51.7203 1.8E4 56.0499 3.2E4 69.0697 4.1E4 86.0964 3.1E7 87.0936 2.8E5 87.0996 4.5E6 88.1030 8.1E4 133.1051 4.3E6 134.1087 5.3E5 135.1100 4.7E4 136.7208 1.9E4 END IONS BEGIN IONS FEATURE_ID=471 PEPMASS=231.1700 SCANS=471 RTINSECONDS=309.748 CHARGE=1+ MSLEVEL=2 55.0542 3.2E4 69.0699 4.6E4 72.0807 1.1E6 73.0842 2.5E4 86.0964 1.5E6 87.0997 5.4E4 118.0864 2.6E4 132.1018 8.7E4 185.1643 4.9E4 231.1703 1.0E5 END IONS BEGIN IONS FEATURE_ID=472 PEPMASS=177.0689 SCANS=472 RTINSECONDS=305.725 CHARGE=1+ MSLEVEL=2 129.1045 3.9E4 176.0659 2.5E4 177.0690 1.9E5 END IONS BEGIN IONS FEATURE_ID=476 PEPMASS=146.0268 SCANS=476 RTINSECONDS=312.125 CHARGE=1+ MSLEVEL=2 46.0651 3.5E4 55.0542 2.9E4 58.9949 1.1E5 60.0557 1.0E4 83.0491 2.1E4 84.0807 2.6E4 86.0599 1.0E5 86.9898 2.0E5 100.0214 1.2E6 101.0258 2.6E4 101.0596 1.2E5 105.0004 3.7E5 121.9657 2.3E4 123.9641 2.1E4 128.0820 2.9E4 128.1068 4.4E4 145.1081 4.4E4 146.0269 9.7E5 146.1174 3.8E5 147.0302 4.0E4 147.1207 1.5E4 END IONS BEGIN IONS FEATURE_ID=482 PEPMASS=170.0610 SCANS=482 RTINSECONDS=312.486 CHARGE=1+ MSLEVEL=2 97.0446 3.5E4 124.0556 1.8E5 125.0396 2.8E5 126.0430 1.4E4 133.0283 1.4E4 153.0345 4.3E5 154.0375 2.7E4 170.0614 3.7E4 170.0967 2.0E4 171.1124 1.3E4 END IONS BEGIN IONS FEATURE_ID=485 PEPMASS=322.0544 SCANS=485 RTINSECONDS=315.674 CHARGE=1+ MSLEVEL=2 190.0124 3.2E4 322.0549 7.2E4 END IONS BEGIN IONS FEATURE_ID=486 PEPMASS=306.0807 SCANS=486 RTINSECONDS=316.143 CHARGE=1+ MSLEVEL=2 174.0386 3.4E6 175.0416 1.2E5 306.0807 5.7E5 307.0838 4.3E4 END IONS BEGIN IONS FEATURE_ID=487 PEPMASS=284.0987 SCANS=487 RTINSECONDS=316.944 CHARGE=1+ MSLEVEL=2 152.0566 7.2E5 153.0608 1.8E4 END IONS BEGIN IONS FEATURE_ID=490 PEPMASS=254.1610 SCANS=490 RTINSECONDS=317.552 CHARGE=1+ MSLEVEL=2 70.0651 2.5E4 98.0600 2.2E4 125.0708 7.4E4 166.1332 2.2E4 167.1178 1.6E5 168.1218 1.3E4 194.1288 3.0E5 195.1127 2.9E6 196.1161 1.6E5 212.1391 3.1E4 220.1077 2.1E4 237.1346 1.4E5 254.1610 2.2E6 255.1638 1.7E5 END IONS BEGIN IONS FEATURE_ID=498 PEPMASS=228.1704 SCANS=498 RTINSECONDS=325.704 CHARGE=1+ MSLEVEL=2 72.0807 4.5E4 84.0807 7.4E4 85.0395 1.1E4 86.0963 5.5E4 99.0917 2.9E4 112.0756 3.6E4 116.0706 8.8E4 127.0865 1.7E5 129.1023 2.0E4 138.1278 2.4E4 155.0818 1.9E4 183.1492 1.2E5 211.1441 6.2E5 212.1472 4.6E4 227.1390 1.4E4 228.1706 3.1E5 229.1761 2.1E4 END IONS BEGIN IONS FEATURE_ID=499 PEPMASS=254.1609 SCANS=499 RTINSECONDS=325.732 CHARGE=1+ MSLEVEL=2 70.0652 5.1E4 97.0759 3.2E4 98.0601 3.9E4 112.0871 1.2E4 125.0711 8.1E4 166.1338 1.2E5 167.1178 3.2E5 177.1028 1.3E4 185.1035 3.3E4 192.1140 1.0E4 194.1287 1.4E6 195.1127 2.2E6 195.1308 9.5E4 196.1157 1.2E5 205.8880 1.1E4 209.1398 2.8E4 212.1398 5.9E4 220.1079 1.2E5 237.1347 2.2E5 238.1373 1.3E4 254.1611 3.1E6 255.1641 2.3E5 END IONS BEGIN IONS FEATURE_ID=500 PEPMASS=176.0656 SCANS=500 RTINSECONDS=325.876 CHARGE=1+ MSLEVEL=2 129.1047 2.6E4 176.0657 4.4E5 177.0695 2.2E4 END IONS BEGIN IONS FEATURE_ID=501 PEPMASS=86.0963 SCANS=501 RTINSECONDS=327.2 CHARGE=1+ MSLEVEL=2 41.0385 1.1E5 43.0541 3.4E4 44.0494 8.1E5 57.0572 4.1E4 58.0650 5.7E4 67.0541 1.0E4 69.0698 1.6E6 70.0733 4.0E4 86.0964 5.3E6 86.9086 8.0E4 87.0935 1.4E4 87.0996 1.0E5 END IONS BEGIN IONS FEATURE_ID=502 PEPMASS=132.1018 SCANS=502 RTINSECONDS=327.17 CHARGE=1+ MSLEVEL=2 44.0494 1.8E5 45.9740 2.4E4 56.0500 2.3E4 57.0575 2.6E4 69.0650 3.2E4 69.0698 6.1E5 86.0964 1.9E7 87.0933 4.4E4 87.0995 7.2E5 111.8122 2.6E4 114.0913 5.4E4 132.1018 1.6E6 133.1050 2.9E5 134.7803 2.5E4 END IONS BEGIN IONS FEATURE_ID=505 PEPMASS=133.1052 SCANS=505 RTINSECONDS=326.907 CHARGE=1+ MSLEVEL=2 41.0388 1.9E4 44.0494 2.2E5 54.4288 1.1E4 56.0500 3.9E4 57.0575 1.6E4 58.0652 2.8E4 69.0698 7.2E5 70.0732 7.5E4 73.0649 1.2E4 74.7682 1.0E4 86.0964 1.7E7 87.0935 1.1E5 87.0996 1.9E6 88.0214 4.4E4 88.1032 2.3E4 115.0947 1.5E4 126.3728 1.2E4 132.1018 1.2E6 133.1053 4.1E5 134.0269 2.3E4 134.1080 2.6E4 134.1213 1.1E4 135.4572 1.0E4 END IONS BEGIN IONS FEATURE_ID=506 PEPMASS=132.1018 SCANS=506 RTINSECONDS=327.328 CHARGE=1+ MSLEVEL=2 44.0494 3.5E5 56.0501 5.3E4 69.0698 1.2E6 86.0964 3.5E7 87.0937 8.3E4 87.0996 1.4E6 98.0900 4.7E4 111.8993 4.6E4 114.0916 1.4E5 130.4515 4.6E4 132.1018 3.5E6 133.1051 4.3E5 END IONS BEGIN IONS FEATURE_ID=507 PEPMASS=86.0963 SCANS=507 RTINSECONDS=327.358 CHARGE=1+ MSLEVEL=2 41.0385 2.2E5 43.0541 4.5E4 44.0494 1.4E6 53.6760 1.4E4 57.0571 7.1E4 58.0652 9.8E4 61.9632 1.4E4 62.5736 1.2E4 67.0540 2.0E4 67.9590 1.3E4 69.0698 2.8E6 70.0732 4.8E4 86.0964 8.0E6 86.9085 1.6E5 87.0996 1.6E5 94.7829 1.3E4 END IONS BEGIN IONS FEATURE_ID=508 PEPMASS=192.0395 SCANS=508 RTINSECONDS=327.475 CHARGE=1+ MSLEVEL=2 192.0401 1.6E4 END IONS BEGIN IONS FEATURE_ID=510 PEPMASS=254.1609 SCANS=510 RTINSECONDS=325.92 CHARGE=1+ MSLEVEL=2 70.0650 1.7E4 98.0600 1.5E4 125.0709 2.9E4 166.1336 4.1E4 167.1178 1.1E5 194.1287 4.8E5 195.1127 7.3E5 195.1311 3.1E4 196.1160 4.0E4 212.1396 1.9E4 220.1078 3.8E4 237.1344 7.0E4 254.1610 9.1E5 255.1640 6.9E4 END IONS BEGIN IONS FEATURE_ID=518 PEPMASS=208.0135 SCANS=518 RTINSECONDS=329.492 CHARGE=1+ MSLEVEL=2 122.9248 1.6E4 124.9225 2.5E4 208.0137 7.5E4 END IONS BEGIN IONS FEATURE_ID=529 PEPMASS=122.9244 SCANS=529 RTINSECONDS=334.236 CHARGE=1+ MSLEVEL=2 122.0713 1.5E4 122.9244 1.1E5 123.0554 4.9E4 123.0920 3.6E4 124.0870 1.0E5 END IONS BEGIN IONS FEATURE_ID=530 PEPMASS=458.7694 SCANS=530 RTINSECONDS=334.271 CHARGE=1+ MSLEVEL=2 122.9244 4.3E5 206.8859 1.2E5 END IONS BEGIN IONS FEATURE_ID=532 PEPMASS=206.8857 SCANS=532 RTINSECONDS=334.331 CHARGE=1+ MSLEVEL=2 122.9244 4.1E5 END IONS BEGIN IONS FEATURE_ID=534 PEPMASS=542.7307 SCANS=534 RTINSECONDS=334.37 CHARGE=1+ MSLEVEL=2 122.9244 7.8E5 206.8858 4.2E5 290.8474 5.8E4 END IONS BEGIN IONS FEATURE_ID=537 PEPMASS=290.8470 SCANS=537 RTINSECONDS=334.459 CHARGE=1+ MSLEVEL=2 122.9244 9.6E5 206.8854 3.3E4 END IONS BEGIN IONS FEATURE_ID=539 PEPMASS=292.8449 SCANS=539 RTINSECONDS=334.526 CHARGE=1+ MSLEVEL=2 122.9244 1.5E5 124.9224 1.2E5 END IONS BEGIN IONS FEATURE_ID=546 PEPMASS=118.0861 SCANS=546 RTINSECONDS=341.612 CHARGE=1+ MSLEVEL=2 49.4106 4.8E5 53.0625 4.1E5 56.5462 4.4E5 58.0651 4.0E6 59.0729 1.1E7 75.4792 4.5E5 106.2139 4.5E5 115.1165 4.7E5 118.0863 5.6E8 119.0794 9.6E5 119.0897 1.7E7 END IONS BEGIN IONS FEATURE_ID=547 PEPMASS=119.0894 SCANS=547 RTINSECONDS=341.744 CHARGE=1+ MSLEVEL=2 42.0347 3.0E4 48.9847 3.0E4 53.7976 3.1E4 58.0650 1.3E6 59.0728 3.3E6 60.0764 1.2E5 118.0862 1.8E8 119.0898 1.5E7 120.0904 7.5E5 END IONS BEGIN IONS FEATURE_ID=549 PEPMASS=158.0400 SCANS=549 RTINSECONDS=341.315 CHARGE=1+ MSLEVEL=2 40.9612 2.7E5 74.0964 4.0E4 75.0996 1.5E4 86.0963 1.2E4 98.9664 1.4E4 112.0519 1.0E4 112.1116 3.4E4 113.0556 2.4E4 114.0504 8.8E4 131.0659 1.9E4 132.0608 7.6E4 157.0456 3.0E5 158.0400 7.8E5 158.0964 2.1E4 158.1164 2.0E4 159.0431 3.0E4 END IONS BEGIN IONS FEATURE_ID=558 PEPMASS=118.0861 SCANS=558 RTINSECONDS=341.724 CHARGE=1+ MSLEVEL=2 46.5722 7.6E5 46.8289 7.0E5 58.0652 5.6E6 59.0729 1.5E7 59.6378 7.3E5 94.2426 6.5E5 118.0863 6.6E8 119.0898 2.3E7 END IONS BEGIN IONS FEATURE_ID=559 PEPMASS=156.0420 SCANS=559 RTINSECONDS=342.026 CHARGE=1+ MSLEVEL=2 43.4950 4.9E4 43.7693 5.3E4 55.0709 5.1E4 55.9076 5.0E4 56.0495 3.6E5 64.0003 5.8E4 66.0253 1.5E5 70.9894 5.7E4 74.0911 8.8E4 74.0963 7.3E5 81.6970 5.7E4 92.0408 5.7E4 96.9686 2.6E5 102.0551 1.6E5 103.5482 4.7E4 109.0674 5.9E5 112.0521 9.6E5 130.0629 1.1E6 138.0461 3.5E5 155.0724 1.1E5 156.0420 1.3E7 157.0456 6.5E5 176.4132 6.3E4 END IONS BEGIN IONS FEATURE_ID=561 PEPMASS=133.1050 SCANS=561 RTINSECONDS=344.872 CHARGE=1+ MSLEVEL=2 44.0494 2.2E4 69.0699 1.5E4 86.0964 1.7E6 87.0996 1.0E5 132.1017 5.5E4 133.1051 1.5E5 END IONS BEGIN IONS FEATURE_ID=563 PEPMASS=119.0894 SCANS=563 RTINSECONDS=341.856 CHARGE=1+ MSLEVEL=2 41.8195 6.4E4 42.0328 6.3E4 42.0346 6.8E4 47.5213 4.9E4 53.5337 5.6E4 55.2461 6.0E4 55.2487 9.0E4 58.0616 1.7E5 58.0650 4.3E6 59.0728 1.0E7 60.0701 6.9E4 60.0761 4.2E5 60.0787 4.5E4 118.0861 4.3E8 119.0898 3.8E7 120.0905 1.6E6 END IONS BEGIN IONS FEATURE_ID=564 PEPMASS=235.1650 SCANS=564 RTINSECONDS=341.883 CHARGE=1+ MSLEVEL=2 89.1098 5.4E4 95.9567 5.0E4 118.0861 1.6E7 118.1830 5.6E4 119.0900 4.4E5 132.1019 1.7E5 138.2521 5.5E4 205.3227 4.5E4 235.1650 1.3E5 END IONS BEGIN IONS FEATURE_ID=573 PEPMASS=273.1208 SCANS=573 RTINSECONDS=343.357 CHARGE=1+ MSLEVEL=2 53.1898 3.1E4 53.2846 2.5E4 59.9092 2.4E4 74.0965 1.1E5 75.3124 2.2E4 96.9689 3.0E4 98.5065 2.9E4 109.6380 2.6E4 112.0523 2.1E5 130.0627 1.7E5 148.5533 2.9E4 156.0422 2.5E7 157.0457 6.6E5 273.1219 7.4E4 END IONS BEGIN IONS FEATURE_ID=586 PEPMASS=150.0581 SCANS=586 RTINSECONDS=344.2 CHARGE=1+ MSLEVEL=2 56.0494 6.3E5 57.0529 1.0E4 61.0106 2.8E5 74.0237 3.6E4 74.0601 4.1E4 77.0247 1.8E4 84.0443 2.6E4 85.0284 2.8E4 87.0262 7.3E4 102.0549 2.4E5 104.0527 1.0E6 105.0372 1.1E4 105.0560 3.3E4 123.0301 1.7E4 133.0316 6.5E5 134.0349 2.1E4 149.0231 1.5E4 150.0582 2.1E5 151.0609 4.9E4 END IONS BEGIN IONS FEATURE_ID=587 PEPMASS=257.1468 SCANS=587 RTINSECONDS=344.226 CHARGE=1+ MSLEVEL=2 55.7858 3.0E4 56.7692 3.6E4 59.0410 4.4E4 61.4698 3.7E4 63.1612 3.5E4 69.3174 3.5E4 73.4508 3.2E4 74.0965 3.5E5 87.2712 3.2E4 88.7843 3.2E4 93.7237 3.4E4 114.0890 5.1E4 140.0681 1.8E7 141.0718 4.9E5 231.1674 4.8E4 257.1469 8.7E5 258.1501 5.7E4 270.5771 3.3E4 END IONS BEGIN IONS FEATURE_ID=591 PEPMASS=163.0534 SCANS=591 RTINSECONDS=344.305 CHARGE=1+ MSLEVEL=2 40.4309 1.4E5 42.0338 8.6E5 42.7561 1.7E5 45.0001 1.4E5 55.1092 1.4E5 58.9950 1.1E6 59.0603 6.3E6 68.3028 1.4E5 71.4077 1.5E5 73.9417 1.5E5 76.0215 3.0E6 83.0601 3.5E5 86.9898 2.4E6 93.9508 1.5E5 96.4616 1.5E5 99.0556 1.7E5 100.0215 2.7E6 105.0004 3.5E6 112.0394 2.7E5 117.0480 3.4E6 118.0317 2.3E5 122.0269 3.0E6 124.4536 1.5E5 129.0655 4.9E5 145.0431 2.0E5 146.0267 1.8E6 157.2159 1.4E5 163.0535 1.9E7 164.0564 6.8E5 END IONS BEGIN IONS FEATURE_ID=603 PEPMASS=107.0715 SCANS=603 RTINSECONDS=344.49 CHARGE=1+ MSLEVEL=2 56.0494 1.8E6 57.0528 1.7E4 62.5743 1.1E4 64.0294 2.2E6 65.0327 1.7E4 107.0715 2.9E5 END IONS BEGIN IONS FEATURE_ID=604 PEPMASS=136.0504 SCANS=604 RTINSECONDS=344.49 CHARGE=1+ MSLEVEL=2 41.0384 1.3E5 44.9793 3.1E5 45.0220 5.0E4 45.9856 2.2E5 55.0511 1.1E5 56.0573 7.5E4 57.0335 7.2E5 60.0012 1.5E5 61.0075 2.2E5 64.0294 8.2E6 65.0326 1.1E5 72.0029 7.6E4 78.0087 6.3E5 78.0451 6.6E5 80.0243 5.1E5 85.0283 2.6E6 86.0315 8.9E4 87.0230 2.1E5 88.0296 1.3E5 89.0027 6.5E4 89.0388 2.1E5 90.0451 1.7E7 91.0491 4.9E5 92.0607 3.5E5 94.0398 4.7E5 108.0192 1.2E6 108.0557 1.6E6 118.0404 2.8E5 136.0506 2.4E7 137.0539 1.0E6 142.0445 4.1E4 145.7951 4.4E4 156.1165 4.2E4 END IONS BEGIN IONS FEATURE_ID=606 PEPMASS=153.0770 SCANS=606 RTINSECONDS=344.542 CHARGE=1+ MSLEVEL=2 43.7805 1.4E5 56.0495 1.8E7 57.0528 4.0E5 64.0295 6.4E6 65.0328 1.6E5 74.0235 6.6E5 74.0600 1.4E6 78.0449 1.2E5 84.0443 6.7E5 85.0285 4.7E5 90.0450 2.0E6 102.0549 8.6E6 103.0582 2.9E5 107.0716 4.2E7 108.0197 1.6E5 108.0558 2.8E5 108.0756 1.1E6 136.0506 2.8E7 137.0538 9.5E5 153.0771 1.2E7 154.0801 5.1E5 END IONS BEGIN IONS FEATURE_ID=609 PEPMASS=201.0092 SCANS=609 RTINSECONDS=344.621 CHARGE=1+ MSLEVEL=2 46.0823 1.1E4 49.6436 1.0E4 50.3675 1.0E4 51.3419 1.0E4 53.2430 1.4E4 104.5354 1.1E4 161.8929 1.0E4 END IONS BEGIN IONS FEATURE_ID=617 PEPMASS=156.0420 SCANS=617 RTINSECONDS=342.624 CHARGE=1+ MSLEVEL=2 40.2269 5.4E4 45.0705 4.1E4 56.0494 4.3E5 66.0253 1.4E5 74.0963 6.0E5 92.0403 5.1E4 93.0847 4.6E4 96.9685 1.8E5 102.0548 2.1E5 107.0714 9.1E4 109.0585 7.1E4 109.0674 7.6E5 110.0712 6.5E4 112.0522 8.2E5 119.6674 5.3E4 121.9807 5.2E4 128.2074 4.5E4 130.0628 8.9E5 138.0460 5.0E5 138.0562 4.3E4 139.0489 7.3E4 155.0729 1.8E5 156.0420 1.1E7 157.0456 4.2E5 174.0286 5.7E4 END IONS BEGIN IONS FEATURE_ID=621 PEPMASS=273.1208 SCANS=621 RTINSECONDS=343.572 CHARGE=1+ MSLEVEL=2 74.0963 1.0E5 96.9686 2.8E4 112.0522 1.5E5 130.0626 1.3E5 156.0420 1.1E7 157.0455 3.2E5 273.1212 2.4E4 END IONS BEGIN IONS FEATURE_ID=622 PEPMASS=132.1017 SCANS=622 RTINSECONDS=343.73 CHARGE=1+ MSLEVEL=2 44.0494 1.7E4 61.0105 1.4E4 69.0698 2.1E4 86.0964 1.5E6 87.0262 2.6E4 87.0996 3.3E4 132.1017 7.1E4 133.0315 3.0E4 133.1051 9.6E4 END IONS BEGIN IONS FEATURE_ID=628 PEPMASS=133.1050 SCANS=628 RTINSECONDS=345.942 CHARGE=1+ MSLEVEL=2 44.0494 2.8E4 61.0105 3.8E4 69.0699 1.3E4 85.0281 1.2E4 86.0964 2.0E6 87.0262 7.7E4 87.0996 1.2E5 88.0215 1.2E4 132.1017 5.4E4 133.0316 8.9E4 133.1051 1.7E5 END IONS BEGIN IONS FEATURE_ID=640 PEPMASS=217.1545 SCANS=640 RTINSECONDS=349.061 CHARGE=1+ MSLEVEL=2 55.0542 1.4E5 60.5384 1.4E4 63.2921 1.3E4 69.5671 1.2E4 70.0651 3.1E5 71.0628 2.3E4 71.0684 1.9E5 72.0808 4.8E6 73.0839 1.0E5 96.5358 1.3E4 101.0598 1.6E4 118.0764 2.1E4 118.0863 2.3E5 166.1465 1.4E4 171.1489 1.1E5 200.1274 3.4E4 216.1426 8.1E4 217.1552 1.9E5 218.1378 3.4E4 END IONS BEGIN IONS FEATURE_ID=659 PEPMASS=203.1388 SCANS=659 RTINSECONDS=349.509 CHARGE=1+ MSLEVEL=2 86.0964 2.6E5 132.1019 6.3E4 157.1337 1.1E4 203.1388 1.0E4 END IONS BEGIN IONS FEATURE_ID=660 PEPMASS=215.1389 SCANS=660 RTINSECONDS=349.509 CHARGE=1+ MSLEVEL=2 70.0651 7.3E6 71.0684 2.1E5 72.0805 3.1E4 91.9248 1.6E4 116.0704 6.7E4 118.0861 3.9E4 150.4883 1.7E4 169.1333 2.1E5 184.8074 1.8E4 197.1280 2.0E4 215.0949 5.8E4 215.1390 2.2E6 216.1426 1.5E5 END IONS BEGIN IONS FEATURE_ID=674 PEPMASS=138.0548 SCANS=674 RTINSECONDS=350.072 CHARGE=1+ MSLEVEL=2 92.0408 1.7E4 94.0650 1.5E4 121.0395 1.9E4 137.0544 1.1E4 137.0683 8.6E4 138.0551 1.4E6 139.0588 7.5E4 END IONS BEGIN IONS FEATURE_ID=678 PEPMASS=227.1580 SCANS=678 RTINSECONDS=350.631 CHARGE=1+ MSLEVEL=2 70.0651 2.6E5 71.0682 1.5E4 84.0443 7.1E4 84.0807 3.0E5 85.0840 3.1E4 98.0597 2.0E4 112.0754 3.6E4 116.0705 1.5E5 125.0708 7.4E5 126.0747 8.3E4 129.1021 6.6E4 153.0656 7.5E4 154.0734 7.8E4 181.0972 1.7E4 181.1333 2.2E5 182.1371 5.2E4 209.1284 3.9E6 210.1317 1.1E6 211.1338 6.0E4 226.1548 1.6E6 227.1036 3.2E4 227.1581 4.8E5 228.1606 2.5E4 END IONS BEGIN IONS FEATURE_ID=679 PEPMASS=226.1548 SCANS=679 RTINSECONDS=350.633 CHARGE=1+ MSLEVEL=2 70.0651 4.3E5 84.0445 5.3E4 84.0807 6.1E5 85.0838 1.9E4 88.2503 1.5E4 97.0767 1.4E4 98.0605 2.8E4 112.0753 9.7E4 116.0706 1.3E5 125.0709 1.5E6 126.0747 5.0E4 129.1022 1.2E5 141.0657 1.1E4 153.0658 2.0E5 154.0739 1.4E5 181.1002 2.0E4 181.1335 5.1E5 182.1374 2.6E4 209.1285 9.8E6 210.1318 6.0E5 226.1549 4.9E6 227.1034 3.2E4 227.1580 2.6E5 END IONS BEGIN IONS FEATURE_ID=683 PEPMASS=118.0862 SCANS=683 RTINSECONDS=349.119 CHARGE=1+ MSLEVEL=2 55.0542 1.3E4 56.0494 1.1E4 58.0650 9.3E4 59.0728 2.4E5 72.0805 2.5E4 100.0753 3.7E4 101.0595 5.2E4 118.0861 1.0E7 119.0897 3.7E5 END IONS BEGIN IONS FEATURE_ID=685 PEPMASS=197.0409 SCANS=685 RTINSECONDS=353.227 CHARGE=1+ MSLEVEL=2 197.0410 2.3E5 END IONS BEGIN IONS FEATURE_ID=686 PEPMASS=320.1714 SCANS=686 RTINSECONDS=354.624 CHARGE=1+ MSLEVEL=2 60.0556 2.1E4 70.0652 1.9E4 85.0394 1.7E4 98.0600 6.3E4 107.0493 1.3E4 112.0868 1.0E4 127.0865 1.6E4 136.0754 3.8E4 155.0813 2.7E4 188.1065 1.6E4 216.1021 4.1E4 232.1437 1.8E4 233.1283 2.1E5 234.1323 2.0E4 260.1392 4.2E4 261.1231 8.7E5 262.1267 7.8E4 275.1497 1.2E4 278.1500 1.3E4 303.1447 1.2E5 304.1483 1.3E4 320.1714 6.7E5 321.1741 6.8E4 END IONS BEGIN IONS FEATURE_ID=687 PEPMASS=115.0865 SCANS=687 RTINSECONDS=356.108 CHARGE=1+ MSLEVEL=2 41.9952 1.4E4 67.4269 1.4E4 70.0651 7.0E6 71.0684 1.9E5 87.0915 2.5E5 94.4789 1.8E4 97.0759 6.0E5 98.0598 5.6E4 98.0794 2.5E4 114.0653 2.2E4 115.0865 7.0E6 116.0904 1.9E5 END IONS BEGIN IONS FEATURE_ID=688 PEPMASS=137.0684 SCANS=688 RTINSECONDS=356.21 CHARGE=1+ MSLEVEL=2 64.0294 7.4E4 85.0283 2.3E4 90.0450 1.4E5 91.0485 1.2E4 136.0218 4.9E4 136.0504 1.6E5 136.0620 3.3E4 137.0250 1.6E4 137.0684 6.0E5 138.0550 8.7E5 END IONS BEGIN IONS FEATURE_ID=690 PEPMASS=265.1115 SCANS=690 RTINSECONDS=356.915 CHARGE=1+ MSLEVEL=2 81.0446 1.1E4 122.0712 3.7E5 144.0477 9.7E4 END IONS BEGIN IONS FEATURE_ID=691 PEPMASS=228.1453 SCANS=691 RTINSECONDS=360.505 CHARGE=1+ MSLEVEL=2 60.0555 2.2E4 70.0651 1.1E4 98.0599 1.7E4 99.0550 1.4E4 141.1022 1.3E5 168.1131 3.6E4 169.0971 6.3E5 170.1006 2.7E4 186.1236 1.3E4 210.1316 4.4E4 211.1182 9.1E4 227.1595 2.0E4 228.1453 4.7E5 229.1480 3.0E4 END IONS BEGIN IONS FEATURE_ID=693 PEPMASS=226.1549 SCANS=693 RTINSECONDS=362.594 CHARGE=1+ MSLEVEL=2 70.0651 5.5E4 84.0807 5.5E4 90.9766 8.8E4 112.0755 1.9E4 125.0709 3.2E5 129.1022 2.2E4 153.0657 3.9E4 154.0737 2.1E4 181.1336 9.2E4 209.1284 1.2E6 210.1316 7.2E4 226.1550 5.5E5 227.1590 3.4E4 END IONS BEGIN IONS FEATURE_ID=695 PEPMASS=228.1454 SCANS=695 RTINSECONDS=370.013 CHARGE=1+ MSLEVEL=2 60.0556 8.8E4 70.0651 1.7E4 98.0600 4.8E4 99.0554 5.4E4 115.0867 1.3E4 127.0502 1.8E4 140.1181 3.3E4 141.1021 4.9E5 142.1053 1.3E4 168.1133 8.4E4 169.0971 2.4E6 170.1006 9.7E4 183.1239 1.4E4 186.1240 4.1E4 194.0932 1.1E4 210.1320 1.8E4 211.1188 3.2E5 212.1214 1.9E4 228.1454 2.0E6 229.1482 1.1E5 END IONS BEGIN IONS FEATURE_ID=698 PEPMASS=118.0862 SCANS=698 RTINSECONDS=375.364 CHARGE=1+ MSLEVEL=2 55.0542 2.0E5 58.0655 3.7E4 59.0729 9.6E4 72.0807 6.9E6 73.0787 2.7E4 73.0839 2.0E5 90.4089 1.4E4 91.1300 1.3E4 118.0861 4.3E6 119.0897 1.7E5 END IONS BEGIN IONS FEATURE_ID=699 PEPMASS=132.1017 SCANS=699 RTINSECONDS=378.054 CHARGE=1+ MSLEVEL=2 44.0494 1.8E4 69.0699 1.3E4 86.0964 1.3E6 87.0995 2.4E4 132.1018 5.7E4 133.1052 8.3E4 END IONS BEGIN IONS FEATURE_ID=700 PEPMASS=133.1051 SCANS=700 RTINSECONDS=377.315 CHARGE=1+ MSLEVEL=2 44.0494 1.9E4 86.0964 1.3E6 87.0261 1.5E4 87.0996 7.4E4 132.1017 2.0E4 133.0318 1.6E4 133.1052 1.1E5 END IONS BEGIN IONS FEATURE_ID=701 PEPMASS=153.0770 SCANS=701 RTINSECONDS=373.813 CHARGE=1+ MSLEVEL=2 56.0494 1.9E5 64.0294 6.5E4 74.0599 1.1E4 90.0451 2.0E4 102.0549 8.6E4 107.0716 4.4E5 108.0754 1.4E4 136.0505 3.1E5 137.0536 1.1E4 153.0772 1.5E5 END IONS BEGIN IONS FEATURE_ID=708 PEPMASS=298.0247 SCANS=708 RTINSECONDS=377.346 CHARGE=1+ MSLEVEL=2 162.0502 1.2E6 163.0537 3.2E4 END IONS BEGIN IONS FEATURE_ID=710 PEPMASS=162.0499 SCANS=710 RTINSECONDS=381.704 CHARGE=1+ MSLEVEL=2 162.0501 5.6E5 163.0535 3.0E4 END IONS BEGIN IONS FEATURE_ID=711 PEPMASS=118.0861 SCANS=711 RTINSECONDS=376.155 CHARGE=1+ MSLEVEL=2 58.0650 5.0E4 59.0729 1.4E5 72.0807 9.2E5 73.0840 2.0E4 118.0863 6.1E6 119.0900 1.7E5 END IONS BEGIN IONS FEATURE_ID=713 PEPMASS=90.9766 SCANS=713 RTINSECONDS=384.679 CHARGE=1+ MSLEVEL=2 44.0494 1.6E4 90.9765 2.7E5 END IONS BEGIN IONS FEATURE_ID=717 PEPMASS=133.1051 SCANS=717 RTINSECONDS=380.513 CHARGE=1+ MSLEVEL=2 44.0494 2.1E4 86.0964 1.4E6 87.0996 8.6E4 132.1017 2.4E4 133.0318 1.5E4 133.1052 1.1E5 END IONS BEGIN IONS FEATURE_ID=723 PEPMASS=132.1017 SCANS=723 RTINSECONDS=379.432 CHARGE=1+ MSLEVEL=2 44.0495 1.7E4 69.0699 1.2E4 86.0964 1.2E6 87.0997 2.3E4 132.1018 4.9E4 133.1052 8.4E4 END IONS BEGIN IONS FEATURE_ID=729 PEPMASS=430.9133 SCANS=729 RTINSECONDS=386.719 CHARGE=1+ MSLEVEL=2 59.0763 1.0E4 90.9766 5.3E6 91.9801 3.5E4 158.9639 3.7E6 159.9680 4.3E4 226.9513 2.7E6 227.9545 5.3E4 END IONS BEGIN IONS FEATURE_ID=730 PEPMASS=498.9006 SCANS=730 RTINSECONDS=386.534 CHARGE=1+ MSLEVEL=2 60.3679 1.2E4 63.7146 1.4E4 69.5915 1.2E4 90.9765 2.2E6 111.1439 1.3E4 131.6370 1.3E4 158.9640 1.8E6 159.9665 2.1E4 226.9514 1.6E6 227.9538 3.9E4 END IONS BEGIN IONS FEATURE_ID=733 PEPMASS=566.8880 SCANS=733 RTINSECONDS=386.666 CHARGE=1+ MSLEVEL=2 64.8064 1.5E4 76.7159 1.2E4 90.9766 1.8E6 91.9801 1.6E4 136.5202 1.4E4 158.9640 1.7E6 159.9679 2.6E4 180.8472 1.4E4 203.3796 1.5E4 226.9515 2.9E6 227.9554 6.2E4 269.1809 1.6E4 294.9393 2.9E4 362.9259 3.4E4 END IONS BEGIN IONS FEATURE_ID=742 PEPMASS=162.0499 SCANS=742 RTINSECONDS=383.546 CHARGE=1+ MSLEVEL=2 59.0603 1.3E4 162.0500 4.5E5 163.0535 6.8E4 END IONS BEGIN IONS FEATURE_ID=743 PEPMASS=566.8880 SCANS=743 RTINSECONDS=387.956 CHARGE=1+ MSLEVEL=2 90.9765 2.0E6 91.9799 1.3E4 158.9639 2.0E6 159.9676 2.5E4 226.0441 1.5E4 226.9513 3.0E6 227.9550 5.2E4 294.9394 2.1E4 362.9256 4.5E4 END IONS BEGIN IONS FEATURE_ID=744 PEPMASS=298.0246 SCANS=744 RTINSECONDS=383.549 CHARGE=1+ MSLEVEL=2 162.0501 1.0E6 163.0539 3.1E4 END IONS BEGIN IONS FEATURE_ID=746 PEPMASS=90.9766 SCANS=746 RTINSECONDS=387.43 CHARGE=1+ MSLEVEL=2 46.7064 2.3E4 46.9867 4.6E4 59.3186 2.4E4 62.9815 3.3E4 72.0497 2.3E4 90.9765 1.1E6 END IONS BEGIN IONS FEATURE_ID=752 PEPMASS=362.9260 SCANS=752 RTINSECONDS=387.561 CHARGE=1+ MSLEVEL=2 51.7523 3.1E4 90.9766 4.0E6 91.9801 3.2E4 99.2530 2.9E4 158.9639 2.0E6 192.2035 2.7E4 206.6746 3.0E4 226.0446 7.4E4 226.9514 3.4E5 END IONS BEGIN IONS FEATURE_ID=753 PEPMASS=430.9133 SCANS=753 RTINSECONDS=388.589 CHARGE=1+ MSLEVEL=2 90.9766 4.0E6 91.9799 3.4E4 158.9640 3.6E6 159.9673 5.0E4 226.9514 2.4E6 227.9548 5.6E4 END IONS BEGIN IONS FEATURE_ID=754 PEPMASS=498.9006 SCANS=754 RTINSECONDS=387.851 CHARGE=1+ MSLEVEL=2 61.1651 1.0E4 69.5015 1.0E4 85.7827 1.2E4 90.9766 2.8E6 91.9801 1.7E4 112.8362 1.0E4 131.1944 1.1E4 158.9639 2.2E6 159.9672 3.2E4 226.9513 2.0E6 227.9542 4.3E4 332.1644 1.3E4 END IONS BEGIN IONS FEATURE_ID=760 PEPMASS=430.9133 SCANS=760 RTINSECONDS=388.72 CHARGE=1+ MSLEVEL=2 90.9765 6.6E6 158.9640 4.5E6 158.9809 1.2E5 226.9513 3.2E6 287.6482 4.0E4 452.7095 4.6E4 END IONS BEGIN IONS FEATURE_ID=763 PEPMASS=362.9260 SCANS=763 RTINSECONDS=387.693 CHARGE=1+ MSLEVEL=2 50.3062 3.7E4 51.7726 3.1E4 90.9765 4.9E6 91.9797 4.5E4 112.4135 3.8E4 113.7843 3.4E4 158.9639 2.0E6 159.9685 3.6E4 163.0464 3.8E4 208.1856 3.4E4 211.1337 3.4E4 226.0447 6.4E4 226.9513 3.8E5 301.9851 3.4E4 345.7583 3.6E4 END IONS BEGIN IONS FEATURE_ID=768 PEPMASS=498.9006 SCANS=768 RTINSECONDS=387.983 CHARGE=1+ MSLEVEL=2 61.7941 2.5E4 67.6040 3.1E4 90.9765 3.4E6 91.9799 3.3E4 149.4912 2.6E4 158.9639 2.6E6 160.0339 1.4E5 217.8343 2.5E4 226.9513 2.4E6 227.9545 4.5E4 437.5009 2.8E4 END IONS BEGIN IONS FEATURE_ID=772 PEPMASS=566.8880 SCANS=772 RTINSECONDS=388.22 CHARGE=1+ MSLEVEL=2 90.9766 1.8E6 158.9639 2.1E6 159.9676 1.9E4 160.0344 5.0E4 226.9514 4.0E6 227.9546 8.1E4 294.9387 3.7E4 296.0096 1.3E4 362.9252 7.0E4 END IONS BEGIN IONS FEATURE_ID=774 PEPMASS=226.9513 SCANS=774 RTINSECONDS=388.404 CHARGE=1+ MSLEVEL=2 76.0360 4.0E4 79.0735 4.1E4 90.9767 3.1E7 91.7342 2.9E4 91.9802 1.2E5 103.7022 3.9E4 158.9639 3.0E6 159.9686 4.1E4 END IONS BEGIN IONS FEATURE_ID=776 PEPMASS=158.9639 SCANS=776 RTINSECONDS=388.516 CHARGE=1+ MSLEVEL=2 42.6860 2.1E4 44.5082 2.2E4 44.9933 2.7E4 48.6301 2.0E4 68.0133 2.5E4 75.7473 2.1E4 79.0738 2.2E4 79.5332 2.4E4 79.8352 2.2E4 90.9766 4.7E6 91.9798 3.0E4 160.0341 2.6E5 END IONS BEGIN IONS FEATURE_ID=777 PEPMASS=90.9766 SCANS=777 RTINSECONDS=388.2 CHARGE=1+ MSLEVEL=2 40.3337 2.4E4 40.9416 2.3E4 46.9867 4.6E4 53.9624 2.6E4 58.0116 2.5E4 82.4636 2.6E4 84.9257 2.3E4 90.3887 2.2E4 90.9765 1.1E6 93.7059 2.3E4 99.6234 2.4E4 END IONS BEGIN IONS FEATURE_ID=783 PEPMASS=430.9133 SCANS=783 RTINSECONDS=389.122 CHARGE=1+ MSLEVEL=2 51.3873 1.6E4 52.8396 1.6E4 54.7696 1.8E4 57.3825 1.6E4 90.9766 6.6E6 91.9800 4.7E4 158.9640 4.9E6 159.9674 5.7E4 160.0346 4.7E4 176.5848 1.7E4 226.9513 3.7E6 227.9552 5.4E4 228.6295 1.6E4 255.7840 1.7E4 289.0933 1.7E4 385.6708 1.8E4 END IONS BEGIN IONS FEATURE_ID=797 PEPMASS=498.9006 SCANS=797 RTINSECONDS=388.911 CHARGE=1+ MSLEVEL=2 90.9765 1.3E6 158.9639 1.0E6 159.9672 1.6E4 160.0344 8.6E4 226.9514 1.2E6 227.9545 3.0E4 296.0090 1.7E4 END IONS BEGIN IONS FEATURE_ID=798 PEPMASS=566.8880 SCANS=798 RTINSECONDS=389.411 CHARGE=1+ MSLEVEL=2 90.9766 8.9E5 158.9640 1.0E6 159.9679 1.4E4 160.0345 3.7E4 226.9515 1.7E6 227.9547 3.6E4 294.9390 1.1E4 362.9262 2.3E4 END IONS BEGIN IONS FEATURE_ID=801 PEPMASS=116.0705 SCANS=801 RTINSECONDS=392.108 CHARGE=1+ MSLEVEL=2 41.6261 1.1E4 70.0651 4.4E6 71.0684 1.1E5 116.0705 4.1E6 117.0741 1.5E5 END IONS BEGIN IONS FEATURE_ID=806 PEPMASS=90.9765 SCANS=806 RTINSECONDS=389.868 CHARGE=1+ MSLEVEL=2 44.0494 1.5E4 90.9765 1.4E5 END IONS BEGIN IONS FEATURE_ID=807 PEPMASS=133.1051 SCANS=807 RTINSECONDS=394.414 CHARGE=1+ MSLEVEL=2 44.0494 1.4E4 86.0965 1.2E6 87.0997 6.3E4 132.1020 2.5E4 133.1053 1.0E5 END IONS BEGIN IONS FEATURE_ID=820 PEPMASS=258.1559 SCANS=820 RTINSECONDS=410.67 CHARGE=1+ MSLEVEL=2 109.0507 1.5E4 125.0709 1.3E4 126.0774 2.9E4 155.0814 8.8E4 181.0975 1.6E4 197.1032 2.7E4 199.1076 1.2E5 214.1298 7.4E4 241.1286 1.7E4 258.1213 1.3E4 258.1558 2.0E5 259.1578 1.3E4 END IONS BEGIN IONS FEATURE_ID=821 PEPMASS=301.9656 SCANS=821 RTINSECONDS=410.698 CHARGE=1+ MSLEVEL=2 148.9643 7.5E4 165.9908 3.2E5 187.9727 1.6E5 233.0878 1.4E4 255.9594 1.6E4 302.1531 1.4E4 END IONS BEGIN IONS FEATURE_ID=822 PEPMASS=214.1297 SCANS=822 RTINSECONDS=412.416 CHARGE=1+ MSLEVEL=2 60.0556 6.8E4 70.0650 1.2E4 85.0397 2.2E4 98.0601 3.6E4 113.0346 3.4E4 127.0865 2.4E5 154.0974 5.9E4 155.0815 1.6E6 156.0851 7.5E4 172.1078 4.2E4 197.1033 2.0E5 214.1299 1.1E6 215.1328 7.1E4 END IONS BEGIN IONS FEATURE_ID=826 PEPMASS=376.9798 SCANS=826 RTINSECONDS=413.418 CHARGE=1+ MSLEVEL=2 148.9642 1.1E5 165.9907 6.0E5 166.9932 1.2E4 187.9726 2.3E5 219.9444 1.1E4 233.0871 4.4E4 313.9478 2.2E4 330.9737 5.1E4 END IONS BEGIN IONS FEATURE_ID=833 PEPMASS=308.9924 SCANS=833 RTINSECONDS=413.899 CHARGE=1+ MSLEVEL=2 148.9642 1.2E5 165.9908 6.1E5 166.9934 1.0E4 187.9727 4.7E4 308.1582 1.6E4 END IONS BEGIN IONS FEATURE_ID=835 PEPMASS=173.0919 SCANS=835 RTINSECONDS=413.922 CHARGE=1+ MSLEVEL=2 98.0599 2.5E4 127.0865 9.1E4 173.0920 4.0E5 174.0954 1.5E4 END IONS BEGIN IONS FEATURE_ID=836 PEPMASS=165.9909 SCANS=836 RTINSECONDS=414.115 CHARGE=1+ MSLEVEL=2 62.9817 1.6E4 120.0807 6.9E4 148.9643 4.8E5 149.9671 1.2E4 165.9908 5.5E5 166.0855 1.4E4 166.9930 1.4E4 END IONS BEGIN IONS FEATURE_ID=837 PEPMASS=451.9940 SCANS=837 RTINSECONDS=414.108 CHARGE=1+ MSLEVEL=2 148.9643 9.6E4 165.9909 7.1E5 166.9939 1.8E4 187.9728 2.7E5 219.9444 1.7E4 308.9936 2.5E4 313.9480 3.6E4 330.9745 1.5E5 364.2211 1.6E4 451.2523 6.1E4 452.2558 1.9E4 END IONS BEGIN IONS FEATURE_ID=842 PEPMASS=122.0270 SCANS=842 RTINSECONDS=414.447 CHARGE=1+ MSLEVEL=2 58.9949 3.0E5 76.0215 1.4E6 77.0250 2.3E4 86.9898 4.9E5 87.9934 1.3E4 88.0392 1.5E4 105.0004 7.7E5 106.0032 1.1E4 122.0269 7.8E5 123.0297 1.5E4 123.0553 4.8E4 123.0914 2.4E4 END IONS BEGIN IONS FEATURE_ID=845 PEPMASS=241.0310 SCANS=845 RTINSECONDS=415.789 CHARGE=1+ MSLEVEL=2 74.0057 1.2E4 74.0236 6.2E4 120.0113 1.5E5 122.0270 9.5E4 151.9834 2.2E5 153.9990 1.8E4 195.0259 2.1E4 241.0313 5.1E4 241.1530 1.4E4 END IONS BEGIN IONS FEATURE_ID=848 PEPMASS=118.0861 SCANS=848 RTINSECONDS=414.387 CHARGE=1+ MSLEVEL=2 59.0729 1.8E4 72.0807 2.9E5 118.0861 8.0E5 119.0898 2.2E4 END IONS BEGIN IONS FEATURE_ID=850 PEPMASS=122.0270 SCANS=850 RTINSECONDS=414.6 CHARGE=1+ MSLEVEL=2 58.9949 2.5E5 76.0215 1.2E6 77.0247 1.6E4 86.9898 4.3E5 87.9932 1.0E4 88.0391 1.8E4 105.0003 6.6E5 106.0034 1.4E4 121.0393 1.5E4 122.0269 6.3E5 122.0963 1.1E4 123.0297 1.3E4 123.0551 4.7E4 123.0916 3.0E4 END IONS BEGIN IONS FEATURE_ID=853 PEPMASS=208.1807 SCANS=853 RTINSECONDS=418.04 CHARGE=1+ MSLEVEL=2 70.0651 1.5E5 72.0808 1.1E5 84.0808 3.4E4 94.0651 2.1E4 96.0808 2.4E4 110.0963 2.8E4 120.0807 8.2E4 122.0964 1.8E4 137.1070 1.6E4 139.1230 5.9E4 144.0658 1.0E4 191.1544 5.0E4 208.1810 8.0E4 END IONS BEGIN IONS FEATURE_ID=857 PEPMASS=226.9514 SCANS=857 RTINSECONDS=423.413 CHARGE=1+ MSLEVEL=2 90.9766 3.8E5 158.9641 3.4E4 END IONS BEGIN IONS FEATURE_ID=858 PEPMASS=258.1560 SCANS=858 RTINSECONDS=429.558 CHARGE=1+ MSLEVEL=2 60.0556 3.7E4 71.0491 1.2E4 98.0599 6.6E4 115.0864 1.4E4 125.0709 6.2E4 127.0866 2.5E4 153.1021 3.4E4 154.0974 1.4E4 155.0813 4.0E5 156.0854 2.3E4 171.1118 1.7E4 180.1133 2.5E4 181.0969 1.6E5 197.1031 1.3E5 198.1250 2.3E4 199.1075 7.4E5 200.1109 3.8E4 214.1297 3.4E5 215.1327 1.3E4 216.1340 1.4E4 241.1293 1.1E5 258.1559 9.9E5 259.1582 7.0E4 END IONS BEGIN IONS FEATURE_ID=859 PEPMASS=104.0705 SCANS=859 RTINSECONDS=429.968 CHARGE=1+ MSLEVEL=2 43.0178 3.1E4 45.0334 2.7E4 58.0651 1.6E4 69.0334 9.0E4 86.0599 3.2E5 87.0440 8.5E5 88.0472 1.8E4 104.0705 2.7E5 END IONS BEGIN IONS FEATURE_ID=860 PEPMASS=226.9514 SCANS=860 RTINSECONDS=428.779 CHARGE=1+ MSLEVEL=2 90.9766 3.0E5 158.9639 2.6E4 END IONS BEGIN IONS FEATURE_ID=861 PEPMASS=245.9476 SCANS=861 RTINSECONDS=433.215 CHARGE=1+ MSLEVEL=2 148.9642 6.8E4 165.9908 3.3E5 END IONS BEGIN IONS FEATURE_ID=862 PEPMASS=201.9837 SCANS=862 RTINSECONDS=433.176 CHARGE=1+ MSLEVEL=2 74.0058 8.5E4 92.0162 1.1E4 120.0113 3.6E5 122.0271 2.1E4 201.9838 3.0E4 END IONS BEGIN IONS FEATURE_ID=863 PEPMASS=267.9295 SCANS=863 RTINSECONDS=433.037 CHARGE=1+ MSLEVEL=2 136.0617 2.6E4 155.0426 1.2E4 180.8976 2.6E5 187.9727 3.8E4 267.9302 1.1E4 END IONS BEGIN IONS FEATURE_ID=864 PEPMASS=90.0550 SCANS=864 RTINSECONDS=459.673 CHARGE=1+ MSLEVEL=2 44.0495 4.8E6 45.0529 3.5E4 62.2271 1.0E4 89.0787 1.5E4 90.0548 1.8E6 91.0580 1.6E4 END IONS BEGIN IONS FEATURE_ID=865 PEPMASS=244.1405 SCANS=865 RTINSECONDS=459.884 CHARGE=1+ MSLEVEL=2 60.0556 3.7E4 70.0649 1.1E4 98.0597 1.5E4 115.0503 1.9E4 115.0862 1.4E4 134.0186 1.3E5 140.0707 2.6E4 143.0450 1.2E4 155.0813 1.5E5 156.0849 1.1E4 157.0969 1.3E5 167.0818 2.8E4 184.1077 5.4E4 185.0918 1.1E6 186.0954 6.7E4 197.1031 2.5E4 202.1183 2.0E4 214.1300 7.6E4 226.1299 1.7E4 227.1135 1.5E5 228.1167 1.2E4 244.1402 9.2E5 245.0742 1.4E4 245.1434 5.5E4 END IONS BEGIN IONS FEATURE_ID=866 PEPMASS=230.1500 SCANS=866 RTINSECONDS=461.04 CHARGE=1+ MSLEVEL=2 55.0542 1.1E4 84.0807 3.8E4 85.0395 2.0E4 112.0756 2.5E4 113.0344 2.0E4 113.0709 1.5E4 124.0756 1.2E4 129.0660 1.3E4 129.1022 4.8E4 139.0864 9.7E4 141.0658 9.7E4 151.0862 1.3E4 152.1066 2.4E4 153.0660 1.4E4 167.1178 6.2E4 169.0971 2.4E5 185.1287 1.9E4 186.1234 5.0E4 195.1128 1.2E5 212.1392 1.8E4 213.1233 5.4E5 214.1265 3.6E4 230.1498 3.5E5 231.1526 2.7E4 END IONS BEGIN IONS FEATURE_ID=867 PEPMASS=134.0188 SCANS=867 RTINSECONDS=459.829 CHARGE=1+ MSLEVEL=2 86.0964 3.5E5 87.0997 3.4E4 133.1053 3.7E4 134.0188 4.9E5 135.0227 1.2E4 END IONS BEGIN IONS FEATURE_ID=868 PEPMASS=328.0302 SCANS=868 RTINSECONDS=475.333 CHARGE=1+ MSLEVEL=2 134.0324 5.5E4 216.9873 1.0E5 328.0308 2.2E4 END IONS BEGIN IONS FEATURE_ID=869 PEPMASS=306.0483 SCANS=869 RTINSECONDS=474.872 CHARGE=1+ MSLEVEL=2 112.0504 4.8E5 113.0544 1.1E4 178.0612 3.1E4 306.0486 2.7E4 END IONS BEGIN IONS FEATURE_ID=870 PEPMASS=285.1667 SCANS=870 RTINSECONDS=475.997 CHARGE=1+ MSLEVEL=2 70.0651 2.1E4 115.0864 1.4E4 181.0970 1.0E5 208.1079 5.2E4 209.0918 2.4E5 210.0955 1.8E4 225.1351 1.9E4 226.1183 6.1E4 251.1135 8.4E4 267.1558 1.7E4 268.1397 6.3E4 285.1669 2.9E5 286.1693 2.5E4 END IONS BEGIN IONS FEATURE_ID=871 PEPMASS=387.2710 SCANS=871 RTINSECONDS=476.366 CHARGE=1+ MSLEVEL=2 60.0555 1.8E4 70.0651 8.0E4 86.0964 1.6E4 112.0868 3.5E4 140.0817 1.6E4 157.1084 2.7E4 169.1326 1.1E4 183.1488 2.4E4 211.1560 3.1E4 225.1708 4.8E4 270.1931 1.1E4 271.1754 1.5E4 274.1873 2.0E4 288.2028 3.3E4 370.2440 2.8E4 387.2716 2.0E5 388.2733 2.9E4 END IONS BEGIN IONS FEATURE_ID=872 PEPMASS=187.1075 SCANS=872 RTINSECONDS=476.368 CHARGE=1+ MSLEVEL=2 70.0651 4.1E5 187.1075 1.1E5 END IONS BEGIN IONS FEATURE_ID=877 PEPMASS=197.0894 SCANS=877 RTINSECONDS=477.687 CHARGE=1+ MSLEVEL=2 110.0711 4.5E4 152.0682 1.2E5 152.0819 1.7E4 156.0765 2.3E4 197.0896 1.2E5 198.0879 1.9E4 END IONS BEGIN IONS FEATURE_ID=879 PEPMASS=269.1606 SCANS=879 RTINSECONDS=477.745 CHARGE=1+ MSLEVEL=2 83.0606 5.1E4 86.0965 5.0E4 93.0447 5.1E4 95.0607 1.4E4 110.0712 5.3E6 111.0752 1.3E5 121.0398 2.9E4 138.0660 2.4E5 156.0766 3.5E5 166.0612 3.3E4 178.1336 1.6E5 206.1295 4.1E4 223.1552 4.9E5 224.1583 3.6E4 234.1243 2.5E4 251.1501 5.1E5 252.1528 3.0E4 268.1267 2.6E4 269.1607 8.9E5 270.1642 5.5E4 END IONS BEGIN IONS FEATURE_ID=880 PEPMASS=346.0543 SCANS=880 RTINSECONDS=477.836 CHARGE=1+ MSLEVEL=2 98.9840 1.2E4 135.0300 2.2E4 152.0567 1.7E6 153.0595 5.7E4 347.1299 1.1E4 END IONS BEGIN IONS FEATURE_ID=881 PEPMASS=271.1510 SCANS=881 RTINSECONDS=477.858 CHARGE=1+ MSLEVEL=2 60.0557 1.0E4 110.0711 2.5E5 111.0751 1.4E5 115.0866 1.7E4 125.0707 4.2E4 138.0656 1.3E4 152.0819 1.9E4 153.0658 1.2E5 156.0761 1.1E4 179.1361 1.1E4 194.0926 3.4E4 195.0762 6.1E5 196.0802 4.1E4 211.1189 2.1E4 212.1028 2.9E5 213.1060 1.4E4 224.1588 2.5E4 229.1294 1.5E4 237.0979 3.9E4 252.1537 1.8E4 254.1248 1.1E5 270.1635 4.1E4 271.1512 4.8E5 272.1545 3.6E4 END IONS BEGIN IONS FEATURE_ID=890 PEPMASS=129.0657 SCANS=890 RTINSECONDS=478.302 CHARGE=1+ MSLEVEL=2 83.0603 2.2E6 84.0573 1.3E4 84.0634 6.5E4 129.0658 2.2E6 130.0697 8.8E4 130.1588 2.3E4 END IONS BEGIN IONS FEATURE_ID=891 PEPMASS=120.0655 SCANS=891 RTINSECONDS=478.336 CHARGE=1+ MSLEVEL=2 45.8461 1.2E4 46.0287 2.3E4 56.0494 1.8E6 57.0334 1.1E5 57.0527 2.8E4 58.6623 1.2E4 62.9815 1.8E4 67.8544 1.2E4 69.9333 1.4E4 73.8194 1.3E4 74.0600 4.9E6 75.0576 2.2E4 75.0633 8.8E4 84.0443 2.2E5 96.2501 1.1E4 102.0548 2.2E6 103.0588 6.4E4 120.0654 1.5E6 120.0820 4.2E4 121.0393 1.7E4 121.0685 3.3E4 138.7935 1.2E4 END IONS BEGIN IONS FEATURE_ID=894 PEPMASS=164.0292 SCANS=894 RTINSECONDS=478.741 CHARGE=1+ MSLEVEL=2 62.9817 1.8E5 120.0031 3.2E5 164.0294 2.4E5 END IONS BEGIN IONS FEATURE_ID=895 PEPMASS=133.1051 SCANS=895 RTINSECONDS=479.039 CHARGE=1+ MSLEVEL=2 86.0964 5.8E5 87.0997 3.0E4 88.0758 1.0E4 132.1016 1.1E4 133.1052 5.7E4 END IONS BEGIN IONS FEATURE_ID=896 PEPMASS=153.0770 SCANS=896 RTINSECONDS=478.904 CHARGE=1+ MSLEVEL=2 56.0494 4.4E4 64.0294 1.8E4 102.0547 1.5E4 107.0715 8.5E4 136.0505 5.3E4 153.0772 2.1E4 END IONS BEGIN IONS FEATURE_ID=899 PEPMASS=129.0657 SCANS=899 RTINSECONDS=478.421 CHARGE=1+ MSLEVEL=2 83.0604 1.3E6 84.0635 3.8E4 129.0658 1.3E6 130.0699 5.2E4 130.1589 2.0E4 END IONS BEGIN IONS FEATURE_ID=901 PEPMASS=233.1065 SCANS=901 RTINSECONDS=479.984 CHARGE=1+ MSLEVEL=2 70.0651 1.9E6 71.0685 4.4E4 72.0808 1.2E4 112.0868 1.1E6 113.0901 2.7E4 114.1025 3.1E4 130.0685 1.3E5 172.0898 1.1E4 174.0583 2.4E4 189.1171 4.6E4 233.1062 7.2E4 END IONS BEGIN IONS FEATURE_ID=904 PEPMASS=217.1293 SCANS=904 RTINSECONDS=481.045 CHARGE=1+ MSLEVEL=2 60.0442 1.9E4 60.0556 3.7E4 70.0651 1.5E5 71.0491 2.5E4 72.0809 2.1E4 95.0603 1.0E4 112.0756 6.6E4 112.0868 6.4E4 113.0709 6.0E4 114.0912 4.2E4 114.1022 1.3E4 115.0864 1.4E5 116.0704 1.6E5 130.0860 1.1E4 130.0974 2.4E4 139.0867 1.5E4 157.0965 1.4E5 158.0802 4.9E5 159.0840 1.5E4 175.1194 1.6E5 182.0923 1.2E4 199.1087 2.2E4 200.1026 1.6E5 201.1070 1.0E4 216.1338 1.4E4 217.1294 7.7E5 218.1328 3.7E4 END IONS BEGIN IONS FEATURE_ID=909 PEPMASS=205.1181 SCANS=909 RTINSECONDS=483.967 CHARGE=1+ MSLEVEL=2 60.0444 6.7E4 72.0808 3.2E4 118.0863 5.4E4 159.1129 3.9E4 205.1179 1.0E4 END IONS BEGIN IONS FEATURE_ID=910 PEPMASS=176.0916 SCANS=910 RTINSECONDS=486.642 CHARGE=1+ MSLEVEL=2 84.0443 2.1E4 85.0283 1.3E4 112.0756 2.6E5 113.0790 1.1E4 130.0862 2.3E5 158.0809 8.8E4 176.0914 1.5E5 END IONS BEGIN IONS FEATURE_ID=911 PEPMASS=120.0654 SCANS=911 RTINSECONDS=485.719 CHARGE=1+ MSLEVEL=2 44.0495 2.9E4 56.0494 1.3E5 74.0236 1.8E4 74.0600 9.7E5 75.0632 2.1E4 84.0442 1.6E4 102.0549 1.5E5 120.0032 9.2E4 120.0654 3.7E5 120.0807 3.3E4 121.0393 2.1E4 121.0688 1.4E4 END IONS BEGIN IONS FEATURE_ID=912 PEPMASS=216.1341 SCANS=912 RTINSECONDS=488.269 CHARGE=1+ MSLEVEL=2 60.0443 2.5E4 70.0284 1.3E4 84.0807 1.5E5 85.0396 6.8E4 87.0554 1.8E4 112.0757 3.0E4 113.0342 1.4E4 115.0501 1.9E5 120.0028 1.1E4 126.0912 4.0E4 129.1021 7.1E4 143.0451 1.6E5 151.0866 1.7E4 152.0701 1.1E4 153.1022 3.5E4 154.0859 1.9E4 169.0971 1.4E5 171.1127 1.5E5 181.0969 8.9E4 186.1236 2.1E4 198.1234 1.7E4 199.1077 1.2E6 200.1108 6.1E4 216.1343 6.2E5 217.1353 3.9E4 END IONS BEGIN IONS FEATURE_ID=913 PEPMASS=254.1109 SCANS=913 RTINSECONDS=488.312 CHARGE=1+ MSLEVEL=2 138.0159 1.6E4 155.0426 3.2E5 237.1595 1.1E4 254.1112 2.0E5 254.1843 2.4E4 END IONS BEGIN IONS FEATURE_ID=918 PEPMASS=142.0973 SCANS=918 RTINSECONDS=489.302 CHARGE=1+ MSLEVEL=2 81.0447 9.2E4 83.0603 1.7E4 95.0603 3.5E4 124.0869 2.8E5 125.0711 4.7E4 125.0904 1.2E4 142.0975 2.1E5 END IONS BEGIN IONS FEATURE_ID=919 PEPMASS=247.1287 SCANS=919 RTINSECONDS=491.498 CHARGE=1+ MSLEVEL=2 69.0699 1.7E4 86.0964 4.5E5 87.0996 1.8E4 133.0605 1.8E4 END IONS BEGIN IONS FEATURE_ID=920 PEPMASS=203.1137 SCANS=920 RTINSECONDS=492.235 CHARGE=1+ MSLEVEL=2 60.0556 2.7E4 70.0651 3.8E4 98.0598 2.7E4 100.0755 1.9E4 112.0869 1.7E4 115.0866 1.9E4 116.0705 4.7E4 130.0974 1.1E4 143.0815 1.1E4 144.0654 1.3E5 158.0923 4.5E4 161.0918 1.5E4 175.1189 9.9E4 186.0872 3.3E4 203.1139 2.7E5 204.1176 1.2E4 END IONS BEGIN IONS FEATURE_ID=921 PEPMASS=246.1447 SCANS=921 RTINSECONDS=493.834 CHARGE=1+ MSLEVEL=2 86.0964 2.5E5 133.0607 6.3E4 END IONS BEGIN IONS FEATURE_ID=922 PEPMASS=261.1444 SCANS=922 RTINSECONDS=494.077 CHARGE=1+ MSLEVEL=2 69.0698 3.4E4 84.0440 1.0E4 86.0964 8.9E5 87.0996 2.9E4 102.0548 1.2E4 130.0497 2.6E4 148.0603 1.4E5 261.1443 4.5E4 END IONS BEGIN IONS FEATURE_ID=923 PEPMASS=283.1263 SCANS=923 RTINSECONDS=494.118 CHARGE=1+ MSLEVEL=2 152.0314 1.2E4 170.0423 2.7E4 283.1261 4.8E4 END IONS BEGIN IONS FEATURE_ID=924 PEPMASS=269.1607 SCANS=924 RTINSECONDS=494.485 CHARGE=1+ MSLEVEL=2 83.0602 1.2E4 86.0963 1.1E4 110.0712 1.0E6 111.0750 2.5E4 138.0660 5.3E4 155.0427 1.9E4 156.0766 6.4E4 178.1337 4.7E4 223.1551 1.2E5 251.1505 4.4E4 268.1260 1.1E4 269.1607 1.5E5 270.1647 1.2E4 END IONS BEGIN IONS FEATURE_ID=925 PEPMASS=226.9513 SCANS=925 RTINSECONDS=495.153 CHARGE=1+ MSLEVEL=2 90.9766 1.6E5 158.9640 1.1E4 END IONS BEGIN IONS FEATURE_ID=926 PEPMASS=118.0861 SCANS=926 RTINSECONDS=502.513 CHARGE=1+ MSLEVEL=2 72.0807 1.2E5 118.0862 1.7E5 END IONS BEGIN IONS FEATURE_ID=927 PEPMASS=244.0943 SCANS=927 RTINSECONDS=501.627 CHARGE=1+ MSLEVEL=2 72.0808 1.4E5 209.0918 2.0E4 END IONS BEGIN IONS FEATURE_ID=928 PEPMASS=201.1788 SCANS=928 RTINSECONDS=501.801 CHARGE=1+ MSLEVEL=2 72.0807 7.0E5 73.0841 6.2E4 85.0759 7.1E4 111.0915 1.5E4 129.1022 1.4E6 130.1060 1.8E5 156.1494 3.6E4 200.1757 9.6E5 201.1790 2.7E5 202.1820 1.1E4 END IONS BEGIN IONS FEATURE_ID=929 PEPMASS=200.1757 SCANS=929 RTINSECONDS=501.647 CHARGE=1+ MSLEVEL=2 72.0807 1.3E6 73.0841 2.7E4 85.0760 1.5E5 111.0915 2.7E4 129.1022 2.6E6 130.1061 8.8E4 156.1494 6.7E4 200.1757 2.3E6 201.1791 1.4E5 END IONS BEGIN IONS FEATURE_ID=930 PEPMASS=226.9513 SCANS=930 RTINSECONDS=502.072 CHARGE=1+ MSLEVEL=2 73.0284 2.5E4 74.0059 2.3E4 90.9766 9.1E4 108.9775 2.4E4 120.0114 3.9E4 136.9725 1.4E4 180.0149 1.7E4 END IONS BEGIN IONS FEATURE_ID=931 PEPMASS=217.1181 SCANS=931 RTINSECONDS=502.387 CHARGE=1+ MSLEVEL=2 70.0651 2.7E5 217.1190 5.0E4 END IONS BEGIN IONS FEATURE_ID=932 PEPMASS=265.1270 SCANS=932 RTINSECONDS=503.591 CHARGE=1+ MSLEVEL=2 129.9875 1.6E4 177.1021 1.3E4 248.1752 1.2E4 265.1270 1.3E5 265.2008 1.2E4 266.1303 1.1E4 END IONS BEGIN IONS FEATURE_ID=933 PEPMASS=365.1052 SCANS=933 RTINSECONDS=503.753 CHARGE=1+ MSLEVEL=2 185.0418 2.7E5 186.0451 1.3E4 203.0525 6.1E5 204.0559 3.1E4 365.1051 6.4E5 366.1090 6.7E4 END IONS BEGIN IONS FEATURE_ID=934 PEPMASS=157.1698 SCANS=934 RTINSECONDS=505.005 CHARGE=1+ MSLEVEL=2 58.0651 1.4E5 140.1433 2.0E5 141.1471 1.4E4 157.1698 2.9E5 158.0963 1.1E4 158.1731 1.9E4 END IONS BEGIN IONS FEATURE_ID=935 PEPMASS=205.1182 SCANS=935 RTINSECONDS=506.967 CHARGE=1+ MSLEVEL=2 72.0807 1.8E5 END IONS BEGIN IONS FEATURE_ID=936 PEPMASS=166.0532 SCANS=936 RTINSECONDS=510.698 CHARGE=1+ MSLEVEL=2 56.0494 9.0E4 74.0236 3.7E5 75.0263 8.6E4 102.0548 7.9E4 120.0807 3.2E4 149.0265 6.7E4 166.0532 8.4E4 END IONS BEGIN IONS FEATURE_ID=937 PEPMASS=210.0169 SCANS=937 RTINSECONDS=511.034 CHARGE=1+ MSLEVEL=2 118.9953 8.3E4 146.0187 3.4E5 210.0170 8.2E4 END IONS BEGIN IONS FEATURE_ID=938 PEPMASS=574.1288 SCANS=938 RTINSECONDS=515.896 CHARGE=1+ MSLEVEL=2 97.0283 1.7E5 136.0617 1.0E6 137.0661 2.9E4 227.0661 2.1E4 250.0934 1.2E4 268.1038 2.0E4 348.0717 1.5E4 END IONS BEGIN IONS FEATURE_ID=939 PEPMASS=188.0350 SCANS=939 RTINSECONDS=516.261 CHARGE=1+ MSLEVEL=2 82.0650 2.0E4 124.0369 3.9E4 128.0705 4.9E4 141.1021 6.6E4 142.0864 1.1E4 170.0809 2.3E4 187.1076 4.7E4 188.0351 5.8E4 END IONS BEGIN IONS FEATURE_ID=940 PEPMASS=166.0530 SCANS=940 RTINSECONDS=515.929 CHARGE=1+ MSLEVEL=2 56.0494 3.7E4 74.0236 1.4E5 75.0262 3.2E4 102.0549 3.0E4 120.0806 3.5E4 149.0265 3.0E4 166.0533 3.2E4 END IONS BEGIN IONS FEATURE_ID=941 PEPMASS=147.0763 SCANS=941 RTINSECONDS=516.398 CHARGE=1+ MSLEVEL=2 84.0444 2.4E5 100.0216 3.1E4 101.0708 3.2E4 102.0551 1.1E4 123.9640 1.5E4 130.0498 3.8E5 131.0535 1.8E4 146.0271 2.3E4 147.0766 5.3E4 END IONS BEGIN IONS FEATURE_ID=942 PEPMASS=169.0582 SCANS=942 RTINSECONDS=516.398 CHARGE=1+ MSLEVEL=2 151.0477 4.1E4 152.0321 2.2E4 169.0586 1.1E4 END IONS BEGIN IONS FEATURE_ID=944 PEPMASS=175.1075 SCANS=944 RTINSECONDS=516.943 CHARGE=1+ MSLEVEL=2 70.0650 2.2E4 84.0807 2.7E5 85.0648 1.6E4 112.0756 8.9E4 115.0864 6.9E4 116.0705 2.5E4 129.1022 1.1E5 130.0862 1.2E5 147.1127 3.5E4 157.0969 1.2E4 158.0812 3.9E4 175.1075 1.7E5 END IONS BEGIN IONS FEATURE_ID=945 PEPMASS=258.1446 SCANS=945 RTINSECONDS=517.011 CHARGE=1+ MSLEVEL=2 84.0443 7.7E4 84.0807 2.6E5 104.1069 2.2E4 112.0755 8.4E4 129.0659 3.5E4 129.1021 2.5E5 139.0501 1.0E5 150.0914 2.2E4 167.0451 6.8E4 167.1176 3.1E4 178.0864 1.6E4 181.0607 1.9E4 195.1127 2.2E5 213.1231 2.4E4 222.1232 3.1E4 223.1074 3.1E5 224.1114 1.9E4 240.1342 3.7E4 241.1181 4.6E5 242.1215 3.6E4 258.1447 4.3E5 259.1527 2.3E4 END IONS BEGIN IONS FEATURE_ID=949 PEPMASS=106.0498 SCANS=949 RTINSECONDS=517.149 CHARGE=1+ MSLEVEL=2 42.0338 7.8E4 60.0444 4.0E6 61.0414 1.1E4 61.0476 3.9E4 70.0287 7.8E4 88.0392 8.1E5 106.0498 1.3E6 107.0530 1.7E4 END IONS BEGIN IONS FEATURE_ID=951 PEPMASS=227.1000 SCANS=951 RTINSECONDS=517.184 CHARGE=1+ MSLEVEL=2 182.0785 2.5E4 209.0895 2.8E4 210.0735 4.5E4 227.1001 1.2E5 END IONS BEGIN IONS FEATURE_ID=953 PEPMASS=365.1051 SCANS=953 RTINSECONDS=517.348 CHARGE=1+ MSLEVEL=2 185.0420 7.3E4 203.0526 1.9E5 365.1054 2.7E5 366.1092 2.5E4 END IONS BEGIN IONS FEATURE_ID=954 PEPMASS=277.0380 SCANS=954 RTINSECONDS=517.498 CHARGE=1+ MSLEVEL=2 120.0031 4.3E4 150.0137 3.4E5 END IONS BEGIN IONS FEATURE_ID=957 PEPMASS=230.1134 SCANS=957 RTINSECONDS=517.641 CHARGE=1+ MSLEVEL=2 70.0651 3.5E5 71.0491 2.9E4 85.0760 1.3E4 90.0549 1.8E5 97.0758 2.9E4 99.0188 2.6E4 113.0708 7.5E4 115.0864 2.3E5 116.0705 3.2E4 138.1021 1.4E4 139.0864 8.4E4 141.0656 1.5E5 159.0764 2.6E5 166.0976 1.7E4 184.1079 5.2E5 185.1114 3.1E4 212.1026 1.3E5 230.1134 3.1E6 231.1169 2.2E5 END IONS BEGIN IONS FEATURE_ID=958 PEPMASS=150.0136 SCANS=958 RTINSECONDS=517.646 CHARGE=1+ MSLEVEL=2 62.9817 8.2E4 120.0031 1.8E5 149.0236 3.6E4 150.0137 2.3E5 END IONS BEGIN IONS FEATURE_ID=964 PEPMASS=268.1265 SCANS=964 RTINSECONDS=518.749 CHARGE=1+ MSLEVEL=2 110.0712 1.7E4 136.0615 2.0E4 151.0477 1.1E5 152.0318 8.2E4 169.0583 2.5E5 180.0265 6.6E4 234.0737 1.2E4 268.1268 3.8E5 269.1302 2.1E4 END IONS BEGIN IONS FEATURE_ID=965 PEPMASS=246.1446 SCANS=965 RTINSECONDS=518.861 CHARGE=1+ MSLEVEL=2 72.0807 1.2E5 84.0440 1.3E4 98.9839 1.1E4 130.0498 1.1E5 147.0763 2.1E5 246.1449 1.9E4 END IONS BEGIN IONS FEATURE_ID=966 PEPMASS=118.0861 SCANS=966 RTINSECONDS=519.994 CHARGE=1+ MSLEVEL=2 59.0729 1.8E4 72.0807 1.0E5 118.0862 9.2E5 119.0900 2.9E4 END IONS BEGIN IONS FEATURE_ID=970 PEPMASS=331.0597 SCANS=970 RTINSECONDS=523.69 CHARGE=1+ MSLEVEL=2 159.0141 3.0E4 159.9981 7.2E4 177.0247 1.0E6 178.0276 2.9E4 331.0614 1.8E4 END IONS BEGIN IONS FEATURE_ID=971 PEPMASS=177.0245 SCANS=971 RTINSECONDS=523.867 CHARGE=1+ MSLEVEL=2 62.9816 2.2E4 117.9873 2.3E4 141.9874 1.1E4 159.0138 6.8E4 159.9980 1.6E5 177.0245 3.8E5 178.0274 1.0E4 END IONS BEGIN IONS FEATURE_ID=974 PEPMASS=155.0426 SCANS=974 RTINSECONDS=524.424 CHARGE=1+ MSLEVEL=2 110.0212 2.3E4 138.0160 1.1E5 154.1338 1.7E4 155.0426 4.3E5 156.0456 1.6E4 END IONS BEGIN IONS FEATURE_ID=975 PEPMASS=230.1133 SCANS=975 RTINSECONDS=524.423 CHARGE=1+ MSLEVEL=2 70.0651 2.6E5 71.0491 2.3E4 90.0549 1.4E5 95.0602 1.3E4 97.0759 2.1E4 99.0190 1.1E4 113.0709 7.0E4 115.0766 1.2E4 115.0865 1.7E5 116.0706 2.5E4 138.1027 1.3E4 139.0865 6.0E4 141.0656 1.3E5 159.0764 2.0E5 160.0786 1.1E4 166.0971 1.3E4 184.1078 3.9E5 185.1109 1.9E4 212.1029 1.3E5 230.1134 2.8E6 231.1167 1.8E5 END IONS BEGIN IONS FEATURE_ID=979 PEPMASS=133.0607 SCANS=979 RTINSECONDS=524.701 CHARGE=1+ MSLEVEL=2 43.0178 2.5E4 44.0494 6.1E4 46.0287 1.0E5 60.0443 1.5E4 70.0286 4.0E4 74.0236 1.3E6 75.0270 2.0E4 86.0963 5.6E5 87.0552 1.4E6 87.0998 2.0E4 88.0392 3.7E5 88.0576 2.8E4 98.0234 2.1E4 99.0079 1.3E4 116.0341 4.3E5 117.0373 1.6E4 132.1020 1.2E4 133.0606 9.4E5 133.1042 5.7E4 134.0644 3.1E4 END IONS BEGIN IONS FEATURE_ID=980 PEPMASS=286.1507 SCANS=980 RTINSECONDS=525.819 CHARGE=1+ MSLEVEL=2 60.0556 1.6E4 70.0651 1.7E5 84.0444 1.1E5 112.0869 1.2E5 113.0710 2.3E4 115.0865 9.3E4 116.0706 2.7E5 129.0655 1.9E4 144.0654 1.0E4 154.0611 1.3E5 157.1087 1.3E4 158.0924 6.1E4 175.1189 7.1E4 181.0974 2.9E4 183.1124 1.8E4 198.1239 1.1E4 206.0925 1.5E4 208.1076 1.0E4 209.0923 2.5E4 224.1028 2.6E4 226.1183 4.3E4 227.1027 1.7E5 241.1300 1.9E4 244.1296 1.5E4 251.1143 3.0E4 252.0980 8.8E4 268.1394 3.7E4 269.1241 1.0E5 286.1510 9.9E5 287.1541 5.7E4 END IONS BEGIN IONS FEATURE_ID=982 PEPMASS=247.1286 SCANS=982 RTINSECONDS=526.019 CHARGE=1+ MSLEVEL=2 55.0541 4.5E4 72.0807 9.4E5 73.0839 2.6E4 84.0443 2.9E4 102.0548 3.3E4 130.0498 6.2E4 148.0603 3.0E5 247.1287 5.3E4 END IONS BEGIN IONS FEATURE_ID=988 PEPMASS=361.1978 SCANS=988 RTINSECONDS=527.517 CHARGE=1+ MSLEVEL=2 60.0556 5.9E4 70.0651 2.0E5 112.0867 8.1E4 114.1022 1.1E4 115.0864 2.3E4 116.0706 1.6E4 130.0652 1.8E4 140.0817 3.0E4 157.1084 4.1E4 158.0922 2.7E4 159.0913 2.5E4 175.1188 2.2E5 188.0704 4.2E4 205.0971 1.3E4 301.1650 1.8E4 302.1485 2.7E4 327.1451 1.2E4 344.1715 1.0E5 345.1740 1.1E4 361.1979 3.3E5 362.2008 4.6E4 END IONS BEGIN IONS FEATURE_ID=994 PEPMASS=296.0657 SCANS=994 RTINSECONDS=531.157 CHARGE=1+ MSLEVEL=2 86.0964 1.9E5 104.1069 8.9E5 105.1103 2.7E4 236.9926 2.9E5 296.0660 2.4E5 297.0694 1.3E4 END IONS BEGIN IONS FEATURE_ID=995 PEPMASS=280.0919 SCANS=995 RTINSECONDS=531.236 CHARGE=1+ MSLEVEL=2 56.6415 1.7E4 68.4928 1.3E4 71.0731 1.8E4 85.4100 1.6E4 85.9470 1.4E4 86.0963 9.2E5 87.0995 2.9E4 88.0766 1.6E4 104.1069 3.7E6 105.1105 1.1E5 146.9813 5.9E4 155.4504 1.5E4 164.0120 1.3E4 165.0124 1.7E4 176.9921 6.4E4 221.0185 7.0E6 222.0219 2.0E5 224.8703 1.4E4 280.0919 1.6E6 281.0941 9.1E4 END IONS BEGIN IONS FEATURE_ID=998 PEPMASS=537.1943 SCANS=998 RTINSECONDS=531.421 CHARGE=1+ MSLEVEL=2 86.0963 8.5E5 87.0996 2.8E4 87.2578 2.4E4 104.1069 4.8E6 105.1103 1.5E5 146.9822 2.5E4 176.9926 4.8E4 191.9003 2.5E4 221.0184 7.6E6 222.0219 2.6E5 250.9349 2.2E4 280.0918 7.9E6 281.0946 4.7E5 338.2541 2.6E4 358.2368 2.4E4 387.5111 2.5E4 489.4497 2.2E4 537.1983 6.8E4 END IONS BEGIN IONS FEATURE_ID=999 PEPMASS=259.1133 SCANS=999 RTINSECONDS=531.526 CHARGE=1+ MSLEVEL=2 57.0334 2.2E4 58.0659 9.5E4 60.0807 7.8E5 61.0778 2.3E4 61.0841 4.5E4 71.0730 5.8E4 86.0963 2.7E6 87.0996 2.6E5 96.0145 2.5E4 98.9841 8.6E4 104.1070 3.2E7 105.1104 3.2E6 106.1116 8.1E4 124.5073 2.1E4 124.9997 4.8E6 126.0029 2.0E5 127.0041 3.9E4 166.0619 5.0E4 181.0262 7.4E4 184.0732 4.1E6 185.0767 4.4E5 186.0777 3.7E4 199.0367 1.7E5 240.0992 1.5E5 258.1099 4.9E6 259.0779 4.6E4 259.1129 8.6E5 260.1147 8.4E4 END IONS BEGIN IONS FEATURE_ID=1003 PEPMASS=258.1099 SCANS=1003 RTINSECONDS=531.605 CHARGE=1+ MSLEVEL=2 53.8555 1.0E5 58.0660 2.1E5 60.0807 1.1E6 60.0841 1.0E5 60.1100 8.5E4 63.9968 9.5E4 64.1271 1.1E5 73.8988 8.0E4 86.0963 4.3E6 90.5001 9.5E4 101.2481 8.4E4 103.9784 8.6E4 104.1069 5.9E7 105.1103 1.7E6 106.2079 9.7E4 110.1301 8.8E4 124.9997 8.3E6 163.9339 9.2E4 165.4590 9.1E4 165.9462 9.5E4 166.0631 1.4E5 181.0271 1.5E5 184.0731 7.2E6 185.0764 2.6E5 199.0367 3.6E5 240.1004 2.4E5 258.1099 1.0E7 259.1136 4.9E5 END IONS BEGIN IONS FEATURE_ID=1009 PEPMASS=153.0769 SCANS=1009 RTINSECONDS=531.947 CHARGE=1+ MSLEVEL=2 56.0494 3.6E4 64.0294 1.4E4 102.0549 1.3E4 107.0716 7.9E4 136.0504 4.8E4 153.0772 1.9E4 END IONS BEGIN IONS FEATURE_ID=1016 PEPMASS=322.1870 SCANS=1016 RTINSECONDS=533.138 CHARGE=1+ MSLEVEL=2 60.0556 7.4E4 70.0651 2.8E5 112.0869 9.0E4 115.0861 2.1E4 116.0704 2.0E4 120.0807 4.3E4 140.0816 2.3E4 157.1084 2.8E4 158.0926 3.1E4 175.1189 2.1E5 190.0972 1.1E4 242.1286 1.3E4 246.1122 1.6E4 259.1563 1.4E4 262.1547 3.5E4 263.1382 3.9E4 288.1343 1.4E4 305.1608 1.3E5 306.1642 1.2E4 322.1873 3.8E5 323.1899 4.2E4 END IONS BEGIN IONS FEATURE_ID=1019 PEPMASS=348.0697 SCANS=1019 RTINSECONDS=534.311 CHARGE=1+ MSLEVEL=2 85.0283 1.6E4 97.0284 2.3E4 98.9841 1.9E4 136.0617 5.5E5 137.0660 2.0E4 164.9945 2.3E4 173.1283 1.7E4 213.0158 1.1E4 249.0486 1.1E4 348.0700 5.2E4 END IONS BEGIN IONS FEATURE_ID=1020 PEPMASS=156.1494 SCANS=1020 RTINSECONDS=535.78 CHARGE=1+ MSLEVEL=2 72.0807 4.4E5 73.0842 1.3E4 85.0760 5.5E5 86.0792 1.8E4 110.0712 1.7E4 156.1494 3.9E5 157.1525 2.3E4 END IONS BEGIN IONS FEATURE_ID=1023 PEPMASS=255.1450 SCANS=1023 RTINSECONDS=537.692 CHARGE=1+ MSLEVEL=2 83.0603 1.3E4 93.0449 1.3E4 97.0282 1.1E4 110.0712 1.6E6 111.0750 5.4E4 138.0661 7.2E4 156.0768 1.0E5 164.1180 5.7E4 192.1128 1.1E4 209.1396 1.9E5 210.1424 1.2E4 237.1344 9.0E4 255.1450 3.0E5 256.1479 2.3E4 END IONS BEGIN IONS FEATURE_ID=1026 PEPMASS=198.0848 SCANS=1026 RTINSECONDS=539.745 CHARGE=1+ MSLEVEL=2 138.0524 8.1E4 153.0633 1.2E5 155.0789 3.4E4 181.0581 5.3E4 198.0847 2.0E5 END IONS BEGIN IONS FEATURE_ID=1027 PEPMASS=176.1028 SCANS=1027 RTINSECONDS=539.975 CHARGE=1+ MSLEVEL=2 70.0652 4.2E4 113.0710 6.3E4 114.0546 1.1E4 115.0864 1.5E4 116.0705 1.4E4 159.0765 1.1E5 END IONS BEGIN IONS FEATURE_ID=1029 PEPMASS=288.2029 SCANS=1029 RTINSECONDS=542.245 CHARGE=1+ MSLEVEL=2 60.0556 5.9E5 70.0651 2.1E6 71.0491 1.4E4 71.0686 3.4E4 78.5474 1.6E4 86.0962 1.5E5 88.0755 3.9E4 97.0759 3.6E4 98.0600 6.3E4 112.0868 5.2E5 113.0908 1.5E4 115.0865 9.0E4 116.0704 9.6E4 119.0319 1.3E4 130.0973 4.9E4 140.0817 1.2E5 150.5893 1.4E4 156.1133 4.1E4 157.1082 1.7E5 158.0922 1.9E5 166.1225 2.2E4 175.1188 1.7E6 176.1227 7.2E4 182.1643 3.0E4 183.1487 3.9E4 205.3613 1.4E4 208.1429 6.1E4 211.1435 2.2E4 212.1278 9.9E4 221.1682 1.3E4 225.1707 1.1E5 228.1704 2.8E5 229.1543 4.3E5 229.1817 2.4E4 230.1563 2.8E4 242.1983 1.6E4 253.1662 2.5E4 254.1495 9.8E4 270.1920 3.2E4 271.1764 9.3E5 272.1786 8.1E4 288.2028 3.5E6 289.2055 3.0E5 END IONS BEGIN IONS FEATURE_ID=1030 PEPMASS=289.2066 SCANS=1030 RTINSECONDS=542.283 CHARGE=1+ MSLEVEL=2 60.0556 3.1E5 70.0651 1.1E6 71.0491 1.1E4 71.0683 8.3E4 86.0964 7.6E4 88.0756 2.2E4 97.0758 2.4E4 98.0599 4.6E4 112.0867 2.7E5 113.0902 2.4E4 115.0863 5.8E4 116.0705 6.4E4 130.0971 2.0E4 132.1020 1.2E4 140.0814 5.6E4 156.1126 3.0E4 157.1080 8.1E4 158.0927 1.0E5 158.1095 1.1E4 166.1225 1.3E4 175.1188 8.7E5 176.1222 1.2E5 183.1496 2.0E4 208.1443 3.1E4 212.1275 5.7E4 213.1306 1.2E4 225.1715 4.9E4 226.1747 1.3E4 228.1706 1.1E5 229.1532 1.7E5 230.1566 6.0E4 242.1974 1.1E4 254.1474 4.9E4 255.1529 1.2E4 270.1913 1.2E4 271.1762 4.4E5 272.1787 1.4E5 288.2028 1.5E6 289.2056 5.2E5 290.2077 4.0E4 END IONS BEGIN IONS FEATURE_ID=1031 PEPMASS=168.0766 SCANS=1031 RTINSECONDS=542.396 CHARGE=1+ MSLEVEL=2 95.0603 1.8E5 124.0867 2.1E4 168.0766 1.7E5 END IONS BEGIN IONS FEATURE_ID=1033 PEPMASS=229.1294 SCANS=1033 RTINSECONDS=543.524 CHARGE=1+ MSLEVEL=2 70.0651 4.4E5 72.0807 2.5E4 86.0711 1.4E4 114.0661 3.0E5 116.0705 2.7E5 138.1025 1.5E4 159.1126 4.7E4 166.0973 2.0E5 167.1000 1.0E4 184.1078 6.4E4 211.1184 2.2E4 212.1028 5.4E4 228.1706 1.0E4 229.0823 8.7E4 229.1293 3.4E5 230.1347 2.2E4 230.1863 4.8E4 END IONS BEGIN IONS FEATURE_ID=1034 PEPMASS=251.1113 SCANS=1034 RTINSECONDS=543.639 CHARGE=1+ MSLEVEL=2 190.0947 3.2E4 206.0898 1.4E5 234.0847 9.0E4 251.1113 2.2E5 252.1143 1.4E4 END IONS BEGIN IONS FEATURE_ID=1036 PEPMASS=294.1810 SCANS=1036 RTINSECONDS=543.956 CHARGE=1+ MSLEVEL=2 84.0807 1.0E6 85.0840 2.7E4 101.1072 6.1E4 120.0806 3.2E4 129.1021 1.9E5 130.0863 3.3E4 147.1126 8.4E4 166.0857 1.3E4 260.1261 1.4E4 277.1544 7.7E4 294.1808 1.1E5 295.1833 1.2E4 END IONS BEGIN IONS FEATURE_ID=1039 PEPMASS=258.1447 SCANS=1039 RTINSECONDS=546.541 CHARGE=1+ MSLEVEL=2 60.0807 1.8E4 84.0443 5.3E4 84.0807 1.1E5 86.0963 6.4E4 102.0548 2.4E4 104.1069 6.6E5 105.1102 2.2E4 124.9997 1.1E5 129.1021 2.0E5 130.0861 8.0E4 147.1127 4.6E4 157.0969 2.6E4 184.0732 9.6E4 195.1132 1.1E4 222.1237 1.5E4 240.1345 2.5E4 241.1173 1.1E4 258.1101 5.9E4 258.1449 1.5E5 259.1478 1.2E4 END IONS BEGIN IONS FEATURE_ID=1040 PEPMASS=365.1052 SCANS=1040 RTINSECONDS=545.947 CHARGE=1+ MSLEVEL=2 185.0424 1.1E4 203.0523 2.6E4 365.1055 2.5E5 366.1085 2.5E4 END IONS BEGIN IONS FEATURE_ID=1043 PEPMASS=258.1446 SCANS=1043 RTINSECONDS=549.693 CHARGE=1+ MSLEVEL=2 84.0443 4.0E4 84.0807 8.7E4 86.0963 3.0E4 102.0547 1.7E4 104.1069 3.7E5 105.1104 1.5E4 124.9997 5.6E4 129.1021 1.6E5 130.0861 6.1E4 147.1126 4.2E4 157.0969 2.2E4 184.0732 4.4E4 222.1233 1.1E4 240.1337 2.1E4 258.1098 5.4E4 258.1447 1.1E5 END IONS BEGIN IONS FEATURE_ID=1045 PEPMASS=216.0630 SCANS=1045 RTINSECONDS=551.499 CHARGE=1+ MSLEVEL=2 62.0600 1.5E4 216.0983 2.1E4 END IONS BEGIN IONS FEATURE_ID=1048 PEPMASS=238.0448 SCANS=1048 RTINSECONDS=551.641 CHARGE=1+ MSLEVEL=2 176.9922 4.8E4 195.0027 5.0E5 196.0056 1.1E4 238.0450 3.9E4 END IONS BEGIN IONS FEATURE_ID=1051 PEPMASS=269.1605 SCANS=1051 RTINSECONDS=551.918 CHARGE=1+ MSLEVEL=2 86.0963 2.2E5 95.0602 2.1E4 110.0712 5.5E5 111.0750 1.1E4 156.0768 1.9E6 157.0803 6.0E4 166.0609 8.8E4 178.1336 2.5E4 207.1593 1.1E4 223.1553 3.3E4 234.1235 3.0E4 251.1500 1.3E5 269.1606 2.0E5 270.1635 1.5E4 END IONS BEGIN IONS FEATURE_ID=1053 PEPMASS=260.1967 SCANS=1053 RTINSECONDS=552.107 CHARGE=1+ MSLEVEL=2 84.0807 1.3E7 85.0646 3.5E4 85.0839 3.9E5 86.0963 2.5E5 101.1072 8.5E5 102.0914 1.0E5 111.0911 2.8E4 112.0755 1.1E5 129.1021 2.2E6 130.0862 4.6E5 130.1059 1.0E5 132.1019 1.0E5 141.1010 3.4E4 147.1126 1.5E6 148.1156 4.4E4 163.1680 2.7E4 167.9792 6.1E4 182.3181 2.8E4 197.1647 1.7E5 198.9739 1.1E5 214.1917 3.3E4 225.1597 1.0E5 226.1431 1.2E5 227.1467 3.2E4 242.1855 1.5E5 243.1701 1.7E6 244.1721 1.2E5 260.0269 4.7E4 260.1257 1.6E5 260.1966 2.6E6 261.1994 2.0E5 END IONS BEGIN IONS FEATURE_ID=1054 PEPMASS=261.2001 SCANS=1054 RTINSECONDS=552.161 CHARGE=1+ MSLEVEL=2 56.0493 4.0E4 67.0543 2.3E4 84.0808 7.3E6 85.0647 3.3E4 85.0780 4.1E4 85.0839 6.9E5 86.0963 1.5E5 87.0996 1.2E4 101.1072 4.3E5 102.0912 7.2E4 102.1105 3.9E4 111.0912 1.7E4 112.0758 5.6E4 129.1021 1.1E6 130.0863 2.8E5 130.1056 1.3E5 131.0899 3.9E4 132.1017 5.4E4 141.1021 2.2E4 147.1126 7.8E5 148.1162 1.0E5 180.1385 1.1E4 197.1644 7.7E4 198.1680 1.7E4 214.1899 1.8E4 224.1751 1.9E4 225.1593 5.7E4 226.1430 7.5E4 227.1469 1.6E4 242.1857 5.0E4 243.1699 7.4E5 244.1734 1.9E5 260.1261 3.0E4 260.1966 9.2E5 261.1055 1.0E4 261.1998 2.5E5 262.2026 1.1E4 END IONS BEGIN IONS FEATURE_ID=1067 PEPMASS=149.0636 SCANS=1067 RTINSECONDS=553.512 CHARGE=1+ MSLEVEL=2 41.0386 2.9E4 56.0494 2.6E5 56.0527 2.0E4 78.1761 1.1E4 84.0444 1.4E7 85.0284 2.7E5 85.0415 9.7E4 85.0476 1.2E6 86.0319 1.8E4 86.0491 2.6E4 102.0549 6.7E6 103.0392 1.6E4 103.0584 5.6E5 104.0596 3.2E4 130.0498 6.6E6 131.0353 1.2E5 131.0534 7.3E5 132.0381 1.3E4 132.0545 4.7E4 148.0604 2.9E6 149.0236 3.0E4 149.0636 3.5E5 150.0650 3.5E4 END IONS BEGIN IONS FEATURE_ID=1069 PEPMASS=130.0497 SCANS=1069 RTINSECONDS=553.538 CHARGE=1+ MSLEVEL=2 41.0386 4.5E4 56.0493 7.7E4 76.6905 1.7E4 76.7752 1.7E4 80.2489 1.5E4 83.3371 1.5E4 84.0444 1.4E7 85.0284 1.9E5 85.0415 3.2E4 85.0476 4.8E5 99.9265 1.6E4 102.0550 1.8E5 130.0498 7.3E6 130.1589 4.8E4 131.0345 2.2E4 131.0536 3.1E5 END IONS BEGIN IONS FEATURE_ID=1071 PEPMASS=148.0603 SCANS=1071 RTINSECONDS=553.565 CHARGE=1+ MSLEVEL=2 41.4082 7.5E4 42.8833 7.5E4 53.7356 7.4E4 56.0495 3.3E5 64.6032 7.9E4 84.0443 2.6E7 85.0284 5.6E5 85.0474 7.8E5 85.0528 7.6E4 98.2032 6.7E4 102.0548 1.4E7 103.0583 5.5E5 130.0497 1.5E7 131.0339 3.3E5 131.0533 6.3E5 148.0603 7.4E6 149.0638 3.3E5 END IONS BEGIN IONS FEATURE_ID=1079 PEPMASS=288.2028 SCANS=1079 RTINSECONDS=554.513 CHARGE=1+ MSLEVEL=2 60.0556 9.0E5 70.0651 3.0E6 71.0492 3.9E4 71.0683 5.5E4 72.0808 4.1E4 74.4934 2.1E4 86.0963 4.6E5 88.0756 5.9E4 97.0760 3.4E4 98.0597 1.1E5 103.9058 2.1E4 112.0868 6.7E5 114.1024 3.6E4 115.0864 1.6E5 116.0706 2.2E5 130.0975 9.8E4 132.1016 5.7E4 133.2650 2.2E4 140.0819 1.8E5 156.1122 1.1E5 157.1082 2.8E5 158.0923 2.6E5 166.1234 3.2E4 175.1189 3.7E6 176.1224 1.3E5 176.6519 2.2E4 182.1654 6.4E4 183.1493 1.2E5 184.1335 3.1E4 185.1019 2.5E4 187.1478 2.2E4 208.1450 1.2E5 211.1454 3.3E4 212.1287 1.4E5 225.1713 2.3E5 228.1709 2.9E5 229.1543 6.8E5 230.1574 6.3E4 242.1967 6.5E4 246.1834 2.6E4 253.1651 5.2E4 254.1492 1.1E5 270.1929 4.7E4 271.1764 1.4E6 272.1778 1.1E5 288.2029 6.0E6 289.2058 5.1E5 300.2288 2.0E4 END IONS BEGIN IONS FEATURE_ID=1085 PEPMASS=221.1129 SCANS=1085 RTINSECONDS=555.041 CHARGE=1+ MSLEVEL=2 56.0494 2.5E4 74.0600 4.0E5 84.0442 1.4E4 102.0548 2.9E4 120.0655 1.8E5 130.0499 3.0E4 130.0863 1.1E4 159.0764 2.7E4 203.1027 5.9E4 221.1131 2.3E4 END IONS BEGIN IONS FEATURE_ID=1096 PEPMASS=366.1085 SCANS=1096 RTINSECONDS=558.003 CHARGE=1+ MSLEVEL=2 84.0803 1.1E4 185.0419 4.0E4 203.0525 9.1E5 204.0562 1.1E5 205.0562 1.7E4 365.1054 3.2E6 366.1089 9.3E5 367.1103 1.5E5 END IONS BEGIN IONS FEATURE_ID=1099 PEPMASS=365.1052 SCANS=1099 RTINSECONDS=558.131 CHARGE=1+ MSLEVEL=2 89.8658 1.8E4 118.8936 1.7E4 139.8787 1.7E4 185.0417 8.9E4 203.0525 1.7E6 204.0570 9.1E4 343.6842 1.9E4 365.1053 7.9E6 366.1092 7.5E5 366.1510 1.6E4 366.1683 2.5E4 END IONS BEGIN IONS FEATURE_ID=1100 PEPMASS=118.0861 SCANS=1100 RTINSECONDS=556.646 CHARGE=1+ MSLEVEL=2 59.0729 1.1E4 72.0807 1.1E5 118.0861 4.5E5 119.0899 1.6E4 END IONS BEGIN IONS FEATURE_ID=1102 PEPMASS=360.1497 SCANS=1102 RTINSECONDS=558.691 CHARGE=1+ MSLEVEL=2 61.0283 1.3E4 69.0336 1.4E4 72.0808 1.1E5 84.0807 8.0E4 85.0284 2.2E5 86.0964 3.7E5 87.0998 2.4E4 91.0391 1.9E4 97.0283 3.9E4 109.0283 1.7E4 127.0388 7.6E4 129.1020 1.1E5 130.0862 1.7E5 131.0898 1.3E4 145.0494 1.2E5 147.1126 3.0E5 148.1163 1.7E4 163.0598 2.8E4 185.1647 2.2E5 186.1675 2.4E4 213.1586 4.4E4 228.1706 1.2E4 246.1813 7.7E4 248.0872 1.0E4 260.1970 1.8E4 359.2657 7.4E4 360.2711 1.8E4 END IONS BEGIN IONS FEATURE_ID=1107 PEPMASS=359.2649 SCANS=1107 RTINSECONDS=559.138 CHARGE=1+ MSLEVEL=2 72.0808 7.7E4 84.0807 7.1E4 85.0283 8.8E4 86.0963 3.0E5 87.0999 1.2E4 97.0283 1.8E4 127.0387 2.8E4 129.1021 8.6E4 130.0862 1.4E5 145.0492 4.4E4 147.1127 2.9E5 148.1160 1.2E4 163.0601 1.4E4 185.1647 2.1E5 186.1688 2.0E4 213.1599 5.1E4 228.1707 1.2E4 246.1809 9.4E4 359.2651 7.9E4 360.2690 1.3E4 END IONS BEGIN IONS FEATURE_ID=1111 PEPMASS=260.1967 SCANS=1111 RTINSECONDS=560.674 CHARGE=1+ MSLEVEL=2 55.4160 1.1E4 63.4637 1.0E4 70.0640 1.3E4 84.0807 5.4E6 85.0648 2.5E4 85.0776 1.9E4 85.0840 1.6E5 86.0963 1.6E5 86.8324 1.2E4 101.1072 3.3E5 102.0914 6.1E4 112.0756 3.9E4 121.3207 1.0E4 129.1021 1.0E6 130.0862 2.0E5 130.1057 2.9E4 132.1019 4.3E4 147.1126 7.7E5 148.1164 4.9E4 152.1432 1.6E4 173.7248 1.1E4 180.1395 1.3E4 181.1697 1.5E4 197.1644 1.3E5 198.1677 1.4E4 214.1914 3.3E4 224.1760 1.2E4 225.1598 2.7E4 226.1419 5.8E4 227.7938 1.1E4 236.3889 1.1E4 242.1864 3.2E4 243.1700 7.1E5 244.1736 6.8E4 260.1967 1.0E6 261.1985 8.9E4 END IONS BEGIN IONS FEATURE_ID=1112 PEPMASS=261.2001 SCANS=1112 RTINSECONDS=560.773 CHARGE=1+ MSLEVEL=2 56.0494 1.2E4 84.0808 2.9E6 85.0651 1.2E4 85.0780 1.7E4 85.0840 2.7E5 86.0963 8.4E4 101.1072 1.6E5 102.0912 2.8E4 102.1105 1.4E4 112.0757 2.9E4 129.1021 5.0E5 130.0863 1.1E5 130.1058 5.0E4 131.0892 1.1E4 132.1017 2.8E4 147.1126 3.8E5 148.1162 4.6E4 180.1380 1.1E4 197.1646 6.1E4 198.1679 1.3E4 214.1915 1.7E4 225.1570 1.2E4 226.1421 2.9E4 242.1866 1.9E4 243.1700 3.3E5 244.1738 9.5E4 260.1967 4.3E5 261.1999 1.2E5 END IONS BEGIN IONS FEATURE_ID=1113 PEPMASS=433.0925 SCANS=1113 RTINSECONDS=560.805 CHARGE=1+ MSLEVEL=2 104.9919 1.0E4 203.0524 2.0E4 365.1055 1.4E5 366.1079 1.2E4 END IONS BEGIN IONS FEATURE_ID=1118 PEPMASS=345.2242 SCANS=1118 RTINSECONDS=563.198 CHARGE=1+ MSLEVEL=2 60.0556 3.8E4 70.0650 1.5E5 71.0491 1.1E4 86.0963 3.3E4 88.0756 1.8E4 112.0867 7.2E4 115.0864 1.7E4 140.0813 2.4E4 143.1178 1.8E4 157.1082 4.4E4 175.1187 1.6E4 183.1491 5.3E4 189.1230 1.7E4 210.1601 1.9E4 225.1707 1.3E5 226.1730 1.1E4 242.1968 2.3E4 270.1916 1.5E4 328.1976 8.0E4 345.2240 3.6E5 346.2278 3.9E4 END IONS BEGIN IONS FEATURE_ID=1121 PEPMASS=203.1502 SCANS=1121 RTINSECONDS=567.254 CHARGE=1+ MSLEVEL=2 46.0651 3.5E5 70.0651 4.7E5 71.0603 1.0E5 71.0685 1.3E4 72.0808 5.4E4 88.0868 4.7E5 112.0866 1.8E4 114.1027 1.1E4 115.0864 4.5E4 116.0705 5.6E5 117.0738 1.9E4 133.0973 2.9E4 158.0927 1.1E5 158.1286 3.9E5 159.1325 1.3E4 203.1502 1.6E6 204.1534 8.3E4 END IONS BEGIN IONS FEATURE_ID=1122 PEPMASS=188.1756 SCANS=1122 RTINSECONDS=567.608 CHARGE=1+ MSLEVEL=2 72.0807 2.4E5 100.0756 2.3E5 117.1022 3.0E4 171.1491 7.7E4 188.1756 6.8E4 END IONS BEGIN IONS FEATURE_ID=1124 PEPMASS=294.1671 SCANS=1124 RTINSECONDS=569.202 CHARGE=1+ MSLEVEL=2 83.0603 1.3E4 110.0712 7.1E4 112.0869 1.4E4 123.0554 1.2E4 140.0816 2.7E4 155.0807 1.3E4 207.0880 1.5E4 207.1239 3.4E4 234.1349 4.8E4 235.1187 2.7E5 236.1219 1.7E4 249.1458 4.7E4 277.1407 1.8E5 278.1433 1.6E4 294.1672 3.1E5 295.1703 2.4E4 END IONS BEGIN IONS FEATURE_ID=1125 PEPMASS=335.0340 SCANS=1125 RTINSECONDS=569.602 CHARGE=1+ MSLEVEL=2 182.0427 1.9E4 199.9808 1.7E4 214.0142 2.4E4 263.0125 1.1E4 290.0133 1.8E4 335.0341 7.2E4 END IONS BEGIN IONS FEATURE_ID=1126 PEPMASS=313.0521 SCANS=1126 RTINSECONDS=570.152 CHARGE=1+ MSLEVEL=2 74.0058 2.1E4 74.0236 1.5E4 88.0392 2.5E4 110.0712 1.6E4 120.0113 5.8E4 120.9955 1.3E4 122.0269 3.3E4 148.0421 1.5E4 151.9837 2.5E4 153.9991 2.3E4 160.0596 1.7E4 177.9992 2.7E4 192.0324 4.9E5 193.0358 2.4E4 194.0481 9.4E4 241.0311 3.3E4 267.0471 1.3E4 313.0523 2.2E4 END IONS BEGIN IONS FEATURE_ID=1127 PEPMASS=289.2066 SCANS=1127 RTINSECONDS=570.595 CHARGE=1+ MSLEVEL=2 60.0556 1.3E5 69.0698 1.9E4 70.0650 1.5E5 72.0807 1.7E4 86.0963 6.7E5 87.0996 6.4E4 112.0867 5.2E4 113.0710 1.1E4 114.1024 2.0E4 115.0864 6.2E4 116.0704 1.3E5 117.0738 1.1E4 130.0974 4.8E4 133.0970 2.4E4 156.1129 1.9E5 157.1083 2.0E4 157.1163 1.6E4 158.0922 1.8E5 159.0959 2.3E4 175.1188 1.2E6 176.1222 1.6E5 183.1494 1.0E4 185.1032 3.1E4 211.1443 1.0E4 228.1706 2.1E4 229.1535 3.8E4 230.1568 1.4E4 253.1655 6.4E4 254.1740 1.8E4 270.1914 2.4E4 271.1756 1.4E5 272.1790 5.2E4 288.2028 1.2E6 289.2056 4.2E5 290.2085 2.6E4 END IONS BEGIN IONS FEATURE_ID=1128 PEPMASS=288.2029 SCANS=1128 RTINSECONDS=570.553 CHARGE=1+ MSLEVEL=2 60.0521 1.7E4 60.0556 2.3E5 65.9980 1.1E4 69.0698 2.6E4 70.0651 2.7E5 72.0807 3.8E4 86.0963 1.2E6 87.0995 4.4E4 112.0868 1.1E5 113.0704 2.3E4 114.1024 4.3E4 115.0866 1.2E5 116.0704 2.2E5 127.9628 1.3E4 130.0975 1.0E5 130.4537 1.2E4 133.0968 4.3E4 138.0655 1.4E4 140.0819 2.3E4 156.1130 4.1E5 157.1066 6.3E4 158.0923 3.7E5 159.0935 1.4E4 165.2060 1.2E4 168.5030 1.4E4 169.9923 1.2E4 175.1188 2.5E6 176.1222 1.1E5 183.1484 2.4E4 185.1034 7.9E4 211.1443 3.5E4 225.1699 2.8E4 226.1546 1.9E4 228.1710 3.4E4 229.1534 8.6E4 253.1656 1.5E5 254.1488 1.7E4 270.1910 4.0E4 271.1393 2.3E4 271.1762 3.9E5 272.1787 2.7E4 288.2028 3.1E6 289.2057 2.6E5 END IONS BEGIN IONS FEATURE_ID=1131 PEPMASS=218.1862 SCANS=1131 RTINSECONDS=571.554 CHARGE=1+ MSLEVEL=2 72.0807 5.7E5 73.0840 1.2E4 102.0550 1.3E4 130.0862 6.1E5 131.0896 2.3E4 147.1127 9.2E4 201.1595 2.9E5 202.1633 1.7E4 218.1861 2.9E5 219.1890 1.8E4 END IONS BEGIN IONS FEATURE_ID=1132 PEPMASS=306.0616 SCANS=1132 RTINSECONDS=572.844 CHARGE=1+ MSLEVEL=2 60.0555 3.4E4 70.0651 1.2E5 104.0524 1.1E4 112.0869 3.5E4 143.0314 8.2E4 157.1084 1.0E4 158.0923 1.4E4 175.1190 9.1E4 186.0193 5.3E4 199.1073 1.2E4 246.1278 1.3E4 247.1102 2.0E4 262.0719 2.2E4 289.1346 8.3E4 306.0623 8.9E4 306.1592 2.0E5 307.1527 2.7E4 END IONS BEGIN IONS FEATURE_ID=1133 PEPMASS=188.1756 SCANS=1133 RTINSECONDS=571.083 CHARGE=1+ MSLEVEL=2 58.0651 2.4E4 72.0807 2.4E4 84.0808 1.6E4 112.1120 2.4E4 114.0912 7.0E4 131.1177 1.5E4 171.1491 1.1E5 187.1444 1.9E4 188.1756 1.7E5 END IONS BEGIN IONS FEATURE_ID=1134 PEPMASS=260.1967 SCANS=1134 RTINSECONDS=574.225 CHARGE=1+ MSLEVEL=2 84.0807 1.6E5 86.0963 1.6E5 101.1071 1.5E4 129.1021 1.5E5 130.0861 1.5E5 147.1127 2.3E5 148.1157 1.1E4 242.1857 1.5E4 243.1690 1.6E4 260.1966 8.4E4 END IONS BEGIN IONS FEATURE_ID=1135 PEPMASS=306.1593 SCANS=1135 RTINSECONDS=574.266 CHARGE=1+ MSLEVEL=2 60.0556 3.7E4 70.0651 1.4E5 104.0527 1.3E4 112.0868 3.9E4 143.0314 5.1E4 157.1083 1.1E4 158.0927 1.6E4 175.1189 9.9E4 186.0196 2.7E4 199.1079 1.5E4 246.1266 1.6E4 247.1109 2.4E4 262.0718 1.7E4 289.1351 9.4E4 306.0627 6.0E4 306.1592 2.0E5 307.1546 3.1E4 END IONS BEGIN IONS FEATURE_ID=1136 PEPMASS=284.0797 SCANS=1136 RTINSECONDS=578.771 CHARGE=1+ MSLEVEL=2 57.0336 1.1E4 60.0444 2.2E4 61.0282 1.5E4 69.0334 2.7E4 73.0286 1.4E4 74.0059 1.0E4 76.0215 1.7E4 85.0283 2.0E5 86.9897 1.6E4 97.0283 4.2E4 98.9899 2.7E4 99.0439 1.9E4 100.0214 2.5E5 103.0389 5.4E4 105.0004 3.3E4 109.0285 2.4E4 112.0215 1.3E4 118.0322 3.8E4 122.0269 3.5E5 127.0388 6.9E4 132.0112 1.0E4 142.0320 2.0E4 145.0492 5.7E4 146.0269 4.1E5 147.0302 1.2E4 158.0269 6.3E4 164.0373 9.0E4 166.0315 1.6E4 170.0272 1.3E4 171.0105 2.4E4 184.0425 1.9E4 188.0376 7.5E4 200.0374 2.6E4 202.0532 2.0E4 212.0376 2.6E4 230.0481 3.0E4 248.0587 6.4E4 284.0799 7.0E4 END IONS BEGIN IONS FEATURE_ID=1137 PEPMASS=324.0588 SCANS=1137 RTINSECONDS=578.971 CHARGE=1+ MSLEVEL=2 112.0504 1.4E5 END IONS BEGIN IONS FEATURE_ID=1138 PEPMASS=219.0974 SCANS=1138 RTINSECONDS=579.328 CHARGE=1+ MSLEVEL=2 84.0443 3.6E4 102.0548 4.5E4 130.0497 1.2E5 147.0762 3.7E4 148.0603 2.6E5 173.0916 1.1E4 184.0608 1.7E4 201.0868 1.3E4 219.0971 2.2E4 219.1736 1.2E4 END IONS BEGIN IONS FEATURE_ID=1139 PEPMASS=148.0603 SCANS=1139 RTINSECONDS=579.372 CHARGE=1+ MSLEVEL=2 84.0443 4.3E5 85.0476 1.8E4 102.0549 2.1E5 130.0497 2.2E5 148.0603 1.1E5 149.0232 3.1E4 END IONS BEGIN IONS FEATURE_ID=1141 PEPMASS=154.0167 SCANS=1141 RTINSECONDS=579.726 CHARGE=1+ MSLEVEL=2 44.0494 7.3E4 56.0494 2.1E4 74.0236 9.6E4 88.0393 2.2E4 89.0472 1.4E4 107.0716 3.9E4 108.0113 1.7E4 136.0061 2.9E4 136.0504 2.8E4 153.0774 1.1E4 154.0168 2.7E4 END IONS BEGIN IONS FEATURE_ID=1143 PEPMASS=195.0432 SCANS=1143 RTINSECONDS=579.903 CHARGE=1+ MSLEVEL=2 85.0759 1.6E4 88.0392 2.6E4 112.0392 7.6E4 129.0658 2.3E5 194.1172 1.1E4 195.0429 1.2E4 END IONS BEGIN IONS FEATURE_ID=1144 PEPMASS=290.1345 SCANS=1144 RTINSECONDS=580.536 CHARGE=1+ MSLEVEL=2 58.0651 7.1E5 59.0683 1.4E4 84.0443 7.7E4 124.0757 1.5E4 130.0498 5.3E4 161.0919 2.7E5 169.0973 1.4E4 170.0813 2.5E4 197.0925 1.4E4 215.1026 1.0E5 227.1028 2.5E4 273.1076 2.5E4 290.1344 6.9E4 END IONS BEGIN IONS FEATURE_ID=1145 PEPMASS=283.0415 SCANS=1145 RTINSECONDS=581.437 CHARGE=1+ MSLEVEL=2 74.0058 3.9E4 74.0233 1.3E4 85.0283 3.6E4 88.0391 3.0E4 100.0213 5.2E4 112.0391 1.3E4 116.0163 4.9E4 118.0319 1.4E4 120.0112 9.4E4 120.9952 5.4E4 122.0269 1.8E5 127.0388 1.6E4 130.0493 2.3E4 136.9721 1.5E4 145.0495 1.0E4 146.0269 9.3E4 151.9834 5.0E4 153.9990 5.4E4 158.0264 1.5E4 162.0218 9.4E5 163.0247 2.6E4 164.0374 2.0E5 177.9988 4.3E4 188.0378 1.4E4 195.0265 1.4E4 237.0360 5.2E4 241.0310 4.8E4 248.0584 1.3E4 283.0415 4.8E4 284.0814 1.7E4 END IONS BEGIN IONS FEATURE_ID=1149 PEPMASS=207.0974 SCANS=1149 RTINSECONDS=583.788 CHARGE=1+ MSLEVEL=2 56.0493 1.3E4 60.0443 5.7E4 74.0600 2.0E5 102.0547 1.6E4 106.0498 2.6E4 120.0653 6.8E4 130.0498 1.2E4 189.0867 3.2E4 207.0974 1.7E4 END IONS BEGIN IONS FEATURE_ID=1150 PEPMASS=308.0909 SCANS=1150 RTINSECONDS=583.959 CHARGE=1+ MSLEVEL=2 58.9950 1.6E4 76.0215 4.1E5 76.0391 1.4E4 84.0443 1.0E5 116.0163 8.7E4 130.0498 1.0E5 142.0322 4.5E4 144.0113 7.6E4 162.0219 3.2E5 163.0257 1.1E4 170.0269 2.3E4 179.0484 2.5E5 187.0536 1.3E4 215.0482 1.8E4 233.0590 8.7E4 245.0591 2.8E4 291.0644 1.7E4 308.0912 2.4E4 END IONS BEGIN IONS FEATURE_ID=1151 PEPMASS=613.1511 SCANS=1151 RTINSECONDS=584.109 CHARGE=1+ MSLEVEL=2 97.0283 1.6E5 136.0617 2.1E5 152.0565 1.1E4 174.0386 1.1E4 249.0496 1.2E4 250.0938 1.4E4 268.1036 1.3E4 347.0255 2.2E4 462.1028 4.6E4 END IONS BEGIN IONS FEATURE_ID=1155 PEPMASS=317.2181 SCANS=1155 RTINSECONDS=586.445 CHARGE=1+ MSLEVEL=2 84.0807 7.5E4 86.0964 2.5E4 129.1021 7.6E4 130.0862 4.3E4 143.1179 7.3E4 147.1127 5.2E4 204.1343 1.1E4 317.1465 1.8E4 317.2177 4.4E4 END IONS BEGIN IONS FEATURE_ID=1157 PEPMASS=260.1967 SCANS=1157 RTINSECONDS=588.372 CHARGE=1+ MSLEVEL=2 69.0699 2.3E4 84.0807 2.6E5 86.0963 5.8E5 87.0996 1.9E4 101.1071 2.7E4 129.1021 3.7E5 130.0861 4.8E5 130.1060 1.2E4 131.0894 1.8E4 147.1126 7.9E5 148.1161 3.0E4 242.1862 3.4E4 243.1683 1.8E4 260.1966 2.3E5 261.1995 1.8E4 END IONS BEGIN IONS FEATURE_ID=1159 PEPMASS=345.2493 SCANS=1159 RTINSECONDS=590.024 CHARGE=1+ MSLEVEL=2 70.0651 1.6E4 72.0807 2.1E5 84.0807 4.6E4 129.1022 6.8E4 130.0862 1.1E5 134.0325 4.4E4 147.1127 2.2E5 148.1160 1.1E4 171.1491 1.6E5 172.1528 1.1E4 199.1438 3.6E4 234.9978 2.7E4 246.1813 6.5E4 256.0918 1.5E4 345.1407 4.3E4 345.2510 7.4E4 END IONS BEGIN IONS FEATURE_ID=1163 PEPMASS=282.1181 SCANS=1163 RTINSECONDS=590.923 CHARGE=1+ MSLEVEL=2 69.0334 1.2E4 73.0285 1.1E4 74.0600 6.8E4 99.0439 7.8E4 102.0548 3.8E4 117.0545 1.5E5 120.0654 1.8E5 130.0497 2.0E4 132.0654 1.9E4 154.0858 1.4E4 161.0377 3.1E4 162.0216 1.1E4 169.0945 1.4E4 182.0812 1.1E4 200.0918 2.3E4 218.1022 3.3E4 236.1128 6.2E4 264.1077 2.3E4 282.1177 1.2E5 282.1789 4.1E4 END IONS BEGIN IONS FEATURE_ID=1164 PEPMASS=219.0973 SCANS=1164 RTINSECONDS=591.157 CHARGE=1+ MSLEVEL=2 84.0443 2.8E5 90.0549 3.8E5 98.0712 1.1E4 102.0547 1.3E4 128.0704 1.9E4 130.0497 1.9E5 142.0488 1.4E4 156.0654 2.1E5 160.0606 1.4E4 173.0921 1.1E4 174.0761 1.9E4 202.0708 1.3E5 219.0974 6.8E4 219.1745 1.4E4 END IONS BEGIN IONS FEATURE_ID=1165 PEPMASS=248.1239 SCANS=1165 RTINSECONDS=591.256 CHARGE=1+ MSLEVEL=2 56.0494 5.0E4 58.0651 1.8E4 74.0600 5.6E5 84.0443 1.2E5 101.0707 2.4E4 102.0548 4.2E4 119.0812 4.9E4 130.0497 3.1E5 140.0704 1.4E4 147.0763 3.0E5 148.0603 2.5E5 148.0817 1.0E4 170.0445 1.3E5 185.0925 1.5E4 203.1019 2.3E4 213.0864 2.5E4 230.1145 2.3E4 231.0970 5.4E4 248.1240 4.4E4 249.1070 4.0E4 END IONS BEGIN IONS FEATURE_ID=1167 PEPMASS=262.9067 SCANS=1167 RTINSECONDS=591.494 CHARGE=1+ MSLEVEL=2 142.9480 8.4E4 164.9300 3.6E5 244.8960 2.2E4 END IONS BEGIN IONS FEATURE_ID=1168 PEPMASS=284.0796 SCANS=1168 RTINSECONDS=591.792 CHARGE=1+ MSLEVEL=2 69.0336 1.1E4 85.0283 5.9E4 97.0284 1.3E4 100.0215 7.3E4 103.0388 1.2E4 118.0319 1.0E4 122.0269 9.7E4 127.0391 1.9E4 145.0492 1.4E4 146.0269 1.1E5 158.0268 2.1E4 164.0377 2.6E4 188.0377 2.2E4 248.0590 2.1E4 284.0814 1.9E4 END IONS BEGIN IONS FEATURE_ID=1171 PEPMASS=134.0447 SCANS=1171 RTINSECONDS=591.828 CHARGE=1+ MSLEVEL=2 43.0177 1.1E5 46.0287 4.4E5 50.3337 1.1E4 70.0285 8.8E4 74.0236 3.2E6 75.0210 1.2E4 75.0269 4.2E4 84.8525 1.2E4 86.0962 1.8E5 87.0996 3.3E4 88.0392 3.1E6 89.0425 7.3E4 116.0340 8.3E5 117.0372 3.2E4 123.0244 1.1E4 133.1053 2.3E4 134.0446 8.8E5 135.0477 2.4E4 END IONS BEGIN IONS FEATURE_ID=1172 PEPMASS=142.9479 SCANS=1172 RTINSECONDS=591.768 CHARGE=1+ MSLEVEL=2 124.9373 3.9E4 142.9479 5.9E4 144.0113 2.2E4 END IONS BEGIN IONS FEATURE_ID=1174 PEPMASS=249.1079 SCANS=1174 RTINSECONDS=592.304 CHARGE=1+ MSLEVEL=2 56.0494 6.1E4 58.0651 2.6E4 74.0600 6.4E5 75.0634 1.4E4 84.0443 1.1E5 101.0711 1.5E4 102.0550 6.4E4 119.0816 2.2E4 130.0497 2.2E5 131.0531 1.6E4 140.0710 2.1E4 147.0763 1.4E5 148.0602 3.7E5 170.0443 9.5E4 203.1033 2.6E4 204.0868 1.2E4 213.0867 1.2E4 231.0970 4.9E4 248.1243 1.5E4 249.1067 6.2E4 END IONS BEGIN IONS FEATURE_ID=1175 PEPMASS=274.1872 SCANS=1175 RTINSECONDS=592.401 CHARGE=1+ MSLEVEL=2 60.0516 1.5E4 60.0527 1.0E4 60.0555 4.5E5 70.0651 1.5E6 71.0489 1.4E4 71.0683 3.3E4 72.0808 9.9E4 87.0915 1.6E4 88.0755 2.7E4 97.0761 1.5E4 98.0598 5.1E4 100.0755 1.1E4 112.0868 2.9E5 114.1022 1.1E4 115.0864 6.9E4 116.0703 6.4E4 130.0975 2.3E4 140.0816 6.4E4 142.0975 3.7E4 152.1071 2.2E4 157.1082 1.2E5 158.0922 9.9E4 168.1500 2.3E4 169.1324 4.8E4 170.1167 1.1E4 175.1188 1.2E6 176.1223 4.2E4 194.1293 4.4E4 196.1443 1.2E4 198.1125 6.7E4 211.1550 1.1E5 214.1549 1.7E5 215.1389 3.6E5 216.1417 1.9E4 228.1814 2.1E4 239.1492 1.5E4 240.1337 5.7E4 256.1760 2.1E4 257.1607 6.5E5 258.1637 5.7E4 274.1870 2.4E6 275.1898 1.9E5 END IONS BEGIN IONS FEATURE_ID=1181 PEPMASS=338.1819 SCANS=1181 RTINSECONDS=593.1 CHARGE=1+ MSLEVEL=2 60.0555 1.0E5 70.0650 3.8E5 98.0599 1.3E4 112.0867 1.1E5 115.0864 2.6E4 116.0705 2.9E4 130.0972 1.8E4 136.0756 8.4E4 140.0818 4.5E4 156.0652 2.7E4 157.1082 3.5E4 158.0924 5.0E4 175.1188 3.2E5 176.1217 1.1E4 206.0924 1.9E4 258.1240 1.2E4 275.1490 1.7E4 278.1498 4.7E4 279.1326 5.7E4 304.1288 1.4E4 321.1554 1.8E5 322.1586 2.3E4 338.1820 5.4E5 339.1844 7.7E4 END IONS BEGIN IONS FEATURE_ID=1185 PEPMASS=175.1439 SCANS=1185 RTINSECONDS=596.334 CHARGE=1+ MSLEVEL=2 46.0651 2.3E4 84.0807 3.2E5 130.0861 2.9E5 130.1223 6.7E4 158.1178 1.3E4 175.1439 2.3E5 176.1472 1.1E4 END IONS BEGIN IONS FEATURE_ID=1187 PEPMASS=156.0767 SCANS=1187 RTINSECONDS=597.918 CHARGE=1+ MSLEVEL=2 43.7787 2.5E4 60.6387 2.6E4 82.0524 4.8E4 83.0604 3.2E5 93.0443 1.3E5 95.0603 7.9E5 96.0638 4.1E4 107.6638 2.4E4 110.0713 1.5E7 111.0547 5.1E4 111.0663 3.7E4 111.0753 4.2E5 112.0867 4.0E4 137.4882 2.2E4 139.0503 3.3E4 140.2065 2.2E4 156.0767 5.0E6 157.0805 2.4E5 END IONS BEGIN IONS FEATURE_ID=1188 PEPMASS=178.0585 SCANS=1188 RTINSECONDS=597.95 CHARGE=1+ MSLEVEL=2 178.0585 6.6E4 END IONS BEGIN IONS FEATURE_ID=1189 PEPMASS=110.0711 SCANS=1189 RTINSECONDS=597.951 CHARGE=1+ MSLEVEL=2 56.0496 1.1E4 81.0446 2.3E4 82.0526 3.6E4 83.0603 3.7E5 93.0446 2.5E5 110.0713 2.6E6 111.0552 5.3E5 111.0752 7.0E4 111.0911 2.6E4 END IONS BEGIN IONS FEATURE_ID=1192 PEPMASS=157.0799 SCANS=1192 RTINSECONDS=598.248 CHARGE=1+ MSLEVEL=2 82.0527 5.9E4 83.0604 1.6E5 85.6926 1.2E4 87.3963 1.1E4 93.0446 1.0E5 95.0603 4.4E5 96.0639 3.6E4 110.0713 7.7E6 111.0547 3.1E4 111.0750 7.9E5 138.0660 1.7E4 139.0511 1.5E4 156.0767 2.2E6 157.0804 2.9E5 END IONS BEGIN IONS FEATURE_ID=1195 PEPMASS=246.1810 SCANS=1195 RTINSECONDS=599.775 CHARGE=1+ MSLEVEL=2 72.0806 1.8E4 84.0807 1.2E6 85.0838 3.6E4 101.1073 6.5E4 102.0914 1.0E4 129.1021 1.9E5 130.0865 3.9E4 147.1127 1.4E5 183.1494 1.8E4 212.1286 1.1E4 229.1544 1.7E5 230.1583 1.2E4 246.1810 2.3E5 247.1845 2.0E4 END IONS BEGIN IONS FEATURE_ID=1201 PEPMASS=299.0363 SCANS=1201 RTINSECONDS=601.807 CHARGE=1+ MSLEVEL=2 74.0058 3.5E4 120.0112 5.5E4 122.0267 1.4E4 128.0342 1.0E4 132.0113 1.2E4 134.0268 2.1E4 146.0448 1.4E4 153.9989 2.2E4 162.0215 1.4E4 177.9995 2.4E4 178.0166 4.2E5 179.0193 1.4E4 180.0322 1.0E5 253.0316 2.5E4 299.0371 2.1E4 END IONS BEGIN IONS FEATURE_ID=1205 PEPMASS=310.1758 SCANS=1205 RTINSECONDS=603.574 CHARGE=1+ MSLEVEL=2 84.0807 6.0E5 85.0841 1.5E4 101.1072 3.6E4 129.1021 1.1E5 130.0861 2.4E4 136.0757 2.0E4 147.1127 5.4E4 293.1495 4.5E4 310.1767 6.3E4 END IONS BEGIN IONS FEATURE_ID=1206 PEPMASS=190.1628 SCANS=1206 RTINSECONDS=605.383 CHARGE=1+ MSLEVEL=2 60.0807 4.5E5 61.0840 2.2E4 84.0807 1.2E6 85.0839 1.0E5 86.0964 1.1E4 130.0862 1.1E6 131.0897 1.2E5 144.1381 5.8E4 189.1596 6.6E5 190.1629 1.2E5 END IONS BEGIN IONS FEATURE_ID=1207 PEPMASS=189.1596 SCANS=1207 RTINSECONDS=605.516 CHARGE=1+ MSLEVEL=2 60.0807 8.4E5 61.0842 1.6E4 84.0807 2.0E6 85.0645 1.8E4 85.0840 5.8E4 86.0962 2.0E4 102.0913 1.4E4 130.0862 2.1E6 131.0899 6.3E4 144.1382 1.1E5 145.1411 1.0E4 189.1596 1.4E6 190.1629 9.0E4 END IONS BEGIN IONS FEATURE_ID=1208 PEPMASS=275.1908 SCANS=1208 RTINSECONDS=606.108 CHARGE=1+ MSLEVEL=2 55.0542 1.5E4 60.0556 1.1E5 70.0651 1.4E5 71.0682 1.2E4 72.0807 4.7E5 73.0840 3.8E4 112.0868 4.9E4 113.0709 1.1E4 114.1024 2.7E4 115.0865 6.3E4 116.0705 1.3E5 117.0743 1.3E4 130.0974 4.3E4 133.0971 1.8E4 142.0974 1.8E5 143.1014 2.4E4 157.1080 2.6E4 158.0923 2.0E5 159.0961 2.7E4 175.1189 9.9E5 176.1222 1.3E5 185.1033 2.5E4 197.1285 1.0E4 214.1548 1.8E4 215.1386 4.5E4 239.1503 5.6E4 240.1581 1.2E4 256.1763 1.4E4 257.1604 1.3E5 258.1626 4.1E4 274.1872 9.9E5 275.1898 3.2E5 276.1920 2.0E4 END IONS BEGIN IONS FEATURE_ID=1209 PEPMASS=274.1872 SCANS=1209 RTINSECONDS=606.176 CHARGE=1+ MSLEVEL=2 55.0541 2.9E4 60.0555 2.0E5 70.0651 2.4E5 72.0807 8.8E5 73.0840 1.7E4 97.0756 1.0E4 112.0866 8.3E4 113.0709 2.7E4 114.1023 4.5E4 115.0864 1.4E5 116.0705 2.2E5 117.1020 1.4E4 130.0973 6.8E4 133.0972 3.2E4 140.0819 1.1E4 142.0831 2.1E4 142.0973 3.9E5 143.1007 1.1E4 157.1083 6.0E4 158.0922 4.0E5 169.1339 1.7E4 175.1188 1.9E6 176.1220 6.0E4 185.1033 5.6E4 194.1283 1.7E4 197.1294 2.1E4 211.1552 1.1E4 212.1402 1.8E4 214.1546 5.1E4 215.1383 8.5E4 215.1607 1.2E4 228.1823 1.0E4 239.1501 1.4E5 240.1341 2.5E4 256.1762 5.1E4 257.1603 3.6E5 258.1627 2.3E4 274.1871 2.7E6 275.1898 2.1E5 END IONS BEGIN IONS FEATURE_ID=1211 PEPMASS=364.0649 SCANS=1211 RTINSECONDS=606.33 CHARGE=1+ MSLEVEL=2 152.0566 5.2E5 153.0590 1.9E4 END IONS BEGIN IONS FEATURE_ID=1216 PEPMASS=227.1137 SCANS=1216 RTINSECONDS=608.937 CHARGE=1+ MSLEVEL=2 83.0602 1.9E4 93.0447 2.1E4 110.0712 2.6E6 111.0750 8.3E4 121.0394 1.3E4 136.0868 3.3E4 138.0660 7.5E4 156.0765 1.0E5 164.0815 1.5E4 166.0621 1.0E4 181.1083 1.1E5 209.1031 2.3E5 209.1282 1.1E4 227.1136 4.1E5 228.1162 2.6E4 END IONS BEGIN IONS FEATURE_ID=1219 PEPMASS=195.0254 SCANS=1219 RTINSECONDS=610.75 CHARGE=1+ MSLEVEL=2 59.0603 1.4E5 73.0283 1.2E5 76.0215 1.7E4 84.0681 5.0E4 85.0760 1.7E5 88.0392 2.0E4 107.9935 5.1E4 111.0551 1.3E4 112.0392 4.8E4 113.0471 2.6E4 120.0117 1.5E4 129.0657 1.3E5 130.0736 5.8E4 136.9724 1.9E5 153.9990 5.3E4 177.9995 1.2E4 195.0256 4.3E5 195.1124 1.4E4 196.0283 1.4E4 END IONS BEGIN IONS FEATURE_ID=1220 PEPMASS=323.0839 SCANS=1220 RTINSECONDS=610.829 CHARGE=1+ MSLEVEL=2 59.0603 5.2E4 73.0283 3.3E4 76.0215 1.2E4 83.0601 1.2E4 85.0759 1.8E5 88.0391 3.5E4 107.9934 2.2E4 111.0552 1.3E4 112.0392 1.0E5 112.0498 1.1E4 115.0323 2.0E4 117.0477 2.3E4 120.0112 4.1E4 122.0272 1.6E4 129.0657 4.7E5 130.0736 2.6E4 136.9724 1.0E5 146.0269 1.2E4 153.9988 6.4E4 161.0378 5.4E5 162.0407 1.9E4 163.0534 3.6E5 164.0559 1.1E4 177.9987 1.4E4 195.0255 2.0E6 196.0278 7.6E4 END IONS BEGIN IONS FEATURE_ID=1224 PEPMASS=237.0538 SCANS=1224 RTINSECONDS=611.121 CHARGE=1+ MSLEVEL=2 76.0214 1.1E4 86.9898 1.1E4 98.0236 1.3E4 99.0076 2.8E4 102.0008 1.9E4 105.0003 3.0E4 116.0340 4.6E4 122.0268 4.4E4 128.0165 1.2E4 132.0111 4.1E4 138.0009 1.5E4 148.0061 1.8E5 156.0112 5.8E4 174.0218 1.5E5 184.0062 1.2E5 191.0489 1.8E4 202.0166 3.5E5 202.9995 1.9E4 203.0210 1.3E4 220.0275 8.6E4 237.0539 3.5E4 END IONS BEGIN IONS FEATURE_ID=1229 PEPMASS=259.1287 SCANS=1229 RTINSECONDS=612.249 CHARGE=1+ MSLEVEL=2 84.0807 5.2E5 85.0838 1.6E4 104.1069 1.8E4 168.1022 1.0E4 169.9876 1.5E4 195.1127 1.1E5 213.1232 4.2E5 214.1267 2.6E4 242.0092 4.4E4 259.0359 4.8E4 259.1286 1.2E5 END IONS BEGIN IONS FEATURE_ID=1234 PEPMASS=235.0923 SCANS=1234 RTINSECONDS=615.132 CHARGE=1+ MSLEVEL=2 60.0443 1.1E5 84.0444 1.4E4 102.0551 1.5E4 130.0497 5.6E4 147.0762 2.2E4 148.0603 1.0E5 170.0445 1.1E4 189.0866 1.1E4 217.0818 1.9E4 235.0922 1.5E4 END IONS BEGIN IONS FEATURE_ID=1239 PEPMASS=472.2875 SCANS=1239 RTINSECONDS=618.498 CHARGE=1+ MSLEVEL=2 60.0557 1.3E4 70.0651 1.1E5 112.0868 5.4E4 115.0864 1.2E4 140.0817 2.1E4 157.1082 5.6E4 169.1332 2.4E4 211.1552 1.3E5 217.1181 7.4E4 228.1818 5.8E4 239.1505 2.1E4 256.1768 3.3E4 371.2408 2.5E4 410.2878 2.5E4 455.2613 1.3E4 472.2878 2.9E5 473.2903 4.5E4 END IONS BEGIN IONS FEATURE_ID=1242 PEPMASS=175.1188 SCANS=1242 RTINSECONDS=621.401 CHARGE=1+ MSLEVEL=2 42.6908 6.2E4 51.0446 5.8E4 52.3648 5.3E4 52.6486 6.3E4 60.0556 8.1E6 60.6224 6.9E4 70.0651 9.9E6 71.0490 1.0E5 71.0685 2.4E5 72.0807 6.7E5 83.2882 5.7E4 97.0758 1.4E5 98.0601 1.0E5 112.0867 9.4E5 113.0706 1.4E5 114.1025 2.9E5 115.0865 2.6E5 116.0705 9.6E6 117.0736 2.4E5 130.0974 4.0E6 131.1008 9.1E4 133.0970 7.8E4 140.0823 1.1E5 141.0660 9.0E4 157.1085 5.9E5 158.0923 3.1E6 159.0954 1.7E5 175.1188 1.7E7 176.1220 6.9E5 184.3992 5.9E4 192.2634 6.9E4 END IONS BEGIN IONS FEATURE_ID=1243 PEPMASS=349.2302 SCANS=1243 RTINSECONDS=621.429 CHARGE=1+ MSLEVEL=2 60.0558 1.2E4 70.0653 1.6E4 116.0704 1.3E4 175.0998 1.2E4 175.1189 2.2E5 175.1373 1.5E4 176.1227 1.1E4 END IONS BEGIN IONS FEATURE_ID=1244 PEPMASS=371.2122 SCANS=1244 RTINSECONDS=621.458 CHARGE=1+ MSLEVEL=2 137.0684 4.5E4 138.0524 8.3E4 162.0639 1.6E4 175.1185 2.1E4 179.0902 3.3E5 180.0742 6.8E4 180.0930 1.1E4 197.1008 6.3E5 198.1040 2.8E4 END IONS BEGIN IONS FEATURE_ID=1246 PEPMASS=176.1221 SCANS=1246 RTINSECONDS=621.52 CHARGE=1+ MSLEVEL=2 48.1343 3.2E4 51.4695 3.6E4 59.4539 3.8E4 60.0556 5.2E6 61.0525 6.3E4 61.0589 7.4E4 70.0651 6.6E6 71.0683 3.9E5 72.0807 5.0E5 88.0752 3.5E4 97.0757 7.6E4 97.6052 3.5E4 98.0596 3.9E4 112.0867 6.8E5 113.0709 5.7E4 114.1025 1.8E5 115.0865 1.9E5 116.0705 5.7E6 117.0741 5.0E5 130.0974 2.1E6 131.1011 1.6E5 133.0970 6.4E4 140.0819 5.7E4 141.0663 4.3E4 157.1086 2.9E5 158.0922 1.9E6 159.0959 2.3E5 175.1188 9.4E6 176.1223 1.3E6 177.1238 6.2E4 END IONS BEGIN IONS FEATURE_ID=1249 PEPMASS=197.1007 SCANS=1249 RTINSECONDS=621.632 CHARGE=1+ MSLEVEL=2 137.0683 5.5E4 138.0524 7.7E4 162.0633 2.5E4 179.0902 1.4E5 180.0743 4.4E4 197.1008 5.1E4 END IONS BEGIN IONS FEATURE_ID=1251 PEPMASS=130.0973 SCANS=1251 RTINSECONDS=622.216 CHARGE=1+ MSLEVEL=2 43.0542 2.0E4 60.0556 3.3E5 70.0651 7.1E5 71.0491 4.7E5 71.0684 2.7E4 72.0525 1.3E4 84.0807 1.4E4 88.0756 9.4E4 112.0867 1.3E5 130.0974 1.6E6 130.1587 3.5E4 131.1012 6.2E4 END IONS BEGIN IONS FEATURE_ID=1252 PEPMASS=246.1810 SCANS=1252 RTINSECONDS=622.598 CHARGE=1+ MSLEVEL=2 55.0542 2.4E4 72.0807 4.4E5 73.0839 1.3E4 84.0807 2.5E5 101.1073 2.9E4 129.1021 3.6E5 130.0861 4.7E5 130.1059 1.6E4 131.0898 2.4E4 147.1126 7.1E5 148.1167 2.3E4 228.1702 3.0E4 229.1548 1.3E4 246.1810 1.9E5 247.1846 1.4E4 END IONS BEGIN IONS FEATURE_ID=1254 PEPMASS=364.0649 SCANS=1254 RTINSECONDS=619.441 CHARGE=1+ MSLEVEL=2 152.0566 1.4E5 END IONS BEGIN IONS FEATURE_ID=1256 PEPMASS=272.1714 SCANS=1256 RTINSECONDS=625.496 CHARGE=1+ MSLEVEL=2 60.0556 1.2E4 70.0651 8.9E4 112.0866 1.5E4 115.0866 1.1E4 116.0701 1.4E4 140.0817 1.8E4 158.0924 2.2E4 175.1189 1.6E5 255.1448 2.4E4 272.1716 1.7E5 273.1767 1.2E4 END IONS BEGIN IONS FEATURE_ID=1258 PEPMASS=257.1242 SCANS=1258 RTINSECONDS=627.93 CHARGE=1+ MSLEVEL=2 83.0603 1.8E4 110.0711 1.3E6 111.0750 3.7E4 130.0498 1.3E4 138.0661 3.1E4 156.0765 9.9E4 166.0973 2.9E4 195.0869 2.0E4 211.1183 1.1E4 239.1136 1.8E5 240.1158 1.2E4 257.1240 1.2E5 END IONS BEGIN IONS FEATURE_ID=1259 PEPMASS=285.2031 SCANS=1259 RTINSECONDS=628.157 CHARGE=1+ MSLEVEL=2 70.0650 1.2E4 84.0807 4.0E4 112.0865 2.3E4 129.1019 1.8E4 139.0864 1.4E4 157.1083 2.7E4 164.9301 2.5E4 181.1336 3.6E4 185.1032 1.0E4 191.1181 1.4E4 208.1443 2.0E4 209.1283 1.7E5 226.1551 1.9E4 251.1499 3.1E4 268.1765 7.7E4 285.2032 3.5E5 286.2073 3.0E4 END IONS BEGIN IONS FEATURE_ID=1260 PEPMASS=156.0766 SCANS=1260 RTINSECONDS=628.199 CHARGE=1+ MSLEVEL=2 95.0602 1.8E4 110.0712 3.4E5 111.0751 1.1E4 156.0766 1.0E5 157.1083 1.3E4 END IONS BEGIN IONS FEATURE_ID=1261 PEPMASS=442.7471 SCANS=1261 RTINSECONDS=628.239 CHARGE=2+ MSLEVEL=2 120.0807 1.2E4 183.1489 5.9E4 183.6509 1.0E4 197.1461 2.4E4 256.6834 6.0E4 257.1849 1.9E4 279.1930 1.2E4 279.6865 2.5E4 292.2017 1.8E5 292.7032 5.5E4 328.1941 2.6E5 328.6957 1.0E5 385.7257 2.7E4 386.2267 1.1E4 398.2413 1.7E4 434.2343 5.5E4 434.7364 2.6E4 442.7472 1.9E5 443.2477 8.8E4 443.7486 2.0E4 END IONS BEGIN IONS FEATURE_ID=1263 PEPMASS=347.2287 SCANS=1263 RTINSECONDS=630.769 CHARGE=1+ MSLEVEL=2 72.0807 4.2E4 74.0599 2.4E4 84.0807 7.5E4 101.0708 4.6E4 128.1069 2.7E4 129.1020 1.1E5 130.0861 1.6E5 136.0619 1.0E4 147.1126 3.0E5 148.1163 1.5E4 155.1174 1.0E4 173.1283 4.3E5 174.1316 2.8E4 201.1230 5.7E4 246.1806 3.5E4 347.1675 1.6E4 347.2281 1.6E5 348.2322 2.3E4 END IONS BEGIN IONS FEATURE_ID=1264 PEPMASS=303.2025 SCANS=1264 RTINSECONDS=631.375 CHARGE=1+ MSLEVEL=2 72.0807 8.5E4 84.0807 2.2E5 101.1073 2.8E4 129.1021 1.8E5 130.0862 7.6E4 141.1024 1.2E4 147.1126 1.1E5 157.0970 1.6E4 169.0971 1.0E4 186.1235 5.2E4 187.1078 2.2E4 204.1341 2.5E5 205.1380 1.4E4 303.2024 1.7E5 304.2063 1.5E4 END IONS BEGIN IONS FEATURE_ID=1266 PEPMASS=213.0981 SCANS=1266 RTINSECONDS=632.34 CHARGE=1+ MSLEVEL=2 83.0603 1.4E4 93.0445 1.0E4 110.0712 1.4E6 111.0749 4.1E4 138.0661 4.5E4 156.0762 1.1E4 167.0927 1.9E4 195.0876 6.7E4 213.0980 2.4E5 214.1014 1.4E4 END IONS BEGIN IONS FEATURE_ID=1267 PEPMASS=589.1400 SCANS=1267 RTINSECONDS=633.071 CHARGE=1+ MSLEVEL=2 97.0283 1.6E5 112.0505 2.1E5 152.0567 1.6E4 END IONS BEGIN IONS FEATURE_ID=1271 PEPMASS=156.0766 SCANS=1271 RTINSECONDS=638.607 CHARGE=1+ MSLEVEL=2 95.0602 1.5E4 110.0712 3.1E5 156.0767 9.9E4 157.1085 1.1E4 END IONS BEGIN IONS FEATURE_ID=1272 PEPMASS=175.1188 SCANS=1272 RTINSECONDS=638.17 CHARGE=1+ MSLEVEL=2 60.0556 6.2E5 70.0651 8.0E5 71.0685 3.5E4 72.0808 6.4E4 97.0759 1.7E4 98.0596 1.7E4 112.0868 1.0E5 114.1024 3.3E4 115.0865 6.7E4 116.0705 6.6E5 117.0738 2.4E4 130.0974 2.6E5 140.0819 1.0E4 157.1083 9.9E4 158.0923 2.3E5 158.1082 1.0E4 174.1351 9.0E4 175.1189 1.2E6 176.1224 4.5E4 END IONS BEGIN IONS FEATURE_ID=1276 PEPMASS=148.1160 SCANS=1276 RTINSECONDS=639.077 CHARGE=1+ MSLEVEL=2 42.0340 1.3E4 43.5473 1.1E4 56.0499 4.1E4 65.1282 1.1E4 67.0541 5.0E4 74.0236 3.4E4 84.0807 1.8E7 85.0646 9.9E4 85.0780 1.1E5 85.0839 1.7E6 86.0873 2.3E4 95.0491 1.2E4 101.1072 1.3E5 102.0912 1.4E5 111.0921 2.1E4 112.0756 1.0E5 113.0790 1.8E4 129.1021 4.7E5 130.0863 1.2E7 131.0897 1.5E6 132.0910 8.9E4 147.1127 2.8E6 148.0236 1.1E4 148.1164 3.7E5 149.0235 2.9E4 149.1178 2.6E4 156.6286 1.3E4 END IONS BEGIN IONS FEATURE_ID=1278 PEPMASS=191.0765 SCANS=1278 RTINSECONDS=639.104 CHARGE=1+ MSLEVEL=2 191.0765 3.7E5 192.0800 1.5E4 END IONS BEGIN IONS FEATURE_ID=1279 PEPMASS=130.0862 SCANS=1279 RTINSECONDS=639.133 CHARGE=1+ MSLEVEL=2 41.4930 4.9E4 44.6652 4.3E4 56.4365 5.3E4 59.7074 4.6E4 61.9992 4.2E4 69.1606 4.1E4 84.0807 1.7E7 85.0648 5.6E4 85.0779 7.5E4 85.0841 5.3E5 99.2192 4.1E4 112.0757 1.2E5 120.5893 4.0E4 129.1022 4.9E5 130.0862 1.9E7 131.0897 8.5E5 END IONS BEGIN IONS FEATURE_ID=1280 PEPMASS=84.0806 SCANS=1280 RTINSECONDS=639.134 CHARGE=1+ MSLEVEL=2 42.0338 1.1E4 55.0542 1.4E4 56.0494 1.6E5 67.0542 3.1E4 83.0604 1.0E4 84.0808 5.0E6 85.0840 7.3E4 END IONS BEGIN IONS FEATURE_ID=1281 PEPMASS=147.1127 SCANS=1281 RTINSECONDS=639.135 CHARGE=1+ MSLEVEL=2 41.2131 7.0E4 46.6814 7.6E4 48.5886 6.9E4 54.5945 7.2E4 84.0807 3.3E7 85.0645 2.1E5 85.0778 1.5E5 85.0839 1.1E6 98.5336 6.9E4 101.1071 2.7E5 102.0914 2.4E5 112.0756 1.5E5 112.4799 6.8E4 129.1020 1.1E6 130.0861 2.6E7 131.0898 1.3E6 147.1126 6.3E6 148.1166 3.6E5 168.7053 7.2E4 END IONS BEGIN IONS FEATURE_ID=1283 PEPMASS=169.0945 SCANS=1283 RTINSECONDS=639.248 CHARGE=1+ MSLEVEL=2 169.0947 4.4E4 170.0966 1.4E4 END IONS BEGIN IONS FEATURE_ID=1289 PEPMASS=244.1653 SCANS=1289 RTINSECONDS=639.848 CHARGE=1+ MSLEVEL=2 70.0651 3.3E5 84.0808 1.4E5 101.1074 2.8E4 129.1022 7.5E4 130.0863 6.8E4 147.1128 1.3E5 209.1294 1.2E4 226.1549 2.9E4 244.1656 1.2E5 END IONS BEGIN IONS FEATURE_ID=1290 PEPMASS=257.1970 SCANS=1290 RTINSECONDS=640.284 CHARGE=1+ MSLEVEL=2 84.0807 1.2E5 101.1071 1.2E4 112.0756 1.1E4 129.1020 6.7E4 139.0864 8.2E4 195.1488 2.6E4 223.1439 2.0E5 224.1468 1.5E4 240.1703 5.2E4 257.1970 1.2E5 END IONS BEGIN IONS FEATURE_ID=1293 PEPMASS=133.0971 SCANS=1293 RTINSECONDS=643.326 CHARGE=1+ MSLEVEL=2 58.0651 9.0E4 70.0651 2.1E6 71.0683 6.7E4 86.0963 3.8E5 87.0921 1.2E4 87.0993 1.8E4 88.0392 1.2E4 115.0864 4.1E5 116.0705 2.7E6 117.0742 1.1E5 133.0967 4.1E5 134.1003 1.9E4 END IONS BEGIN IONS FEATURE_ID=1295 PEPMASS=116.0705 SCANS=1295 RTINSECONDS=643.355 CHARGE=1+ MSLEVEL=2 70.0651 3.7E6 71.0618 1.0E4 71.0684 1.2E5 97.0758 4.1E4 115.0865 3.8E5 116.0705 3.0E6 117.0742 9.6E4 END IONS BEGIN IONS FEATURE_ID=1296 PEPMASS=489.2762 SCANS=1296 RTINSECONDS=647.677 CHARGE=2+ MSLEVEL=2 120.0808 1.1E4 129.1022 2.6E4 147.1123 2.2E4 159.0916 2.3E4 208.0018 1.5E4 226.1550 1.1E4 244.1653 3.4E4 298.1553 1.2E4 480.2721 1.5E4 489.2763 7.8E4 489.7784 4.5E4 490.2805 1.8E4 605.3415 1.1E4 633.3402 2.5E4 634.3426 1.1E4 706.3915 2.1E4 707.3986 1.0E4 734.3840 2.6E4 735.3951 1.3E4 END IONS BEGIN IONS FEATURE_ID=1298 PEPMASS=175.1188 SCANS=1298 RTINSECONDS=645.083 CHARGE=1+ MSLEVEL=2 60.0556 1.7E5 70.0651 2.2E5 72.0807 1.4E4 112.0870 2.2E4 116.0705 1.8E5 130.0974 7.5E4 157.1082 1.0E4 158.0923 6.2E4 175.1189 2.9E5 176.1230 1.2E4 END IONS BEGIN IONS FEATURE_ID=1310 PEPMASS=304.0393 SCANS=1310 RTINSECONDS=650.552 CHARGE=1+ MSLEVEL=2 85.0759 3.2E4 107.0577 1.3E4 110.0213 1.1E4 112.0395 1.3E4 129.0659 3.9E4 133.0373 2.7E4 134.0211 6.2E4 151.0477 8.8E5 152.0509 1.7E4 161.0381 1.3E4 175.9810 1.1E5 183.0193 1.8E4 END IONS BEGIN IONS FEATURE_ID=1317 PEPMASS=283.0614 SCANS=1317 RTINSECONDS=651.456 CHARGE=1+ MSLEVEL=2 58.6150 2.0E4 59.0603 2.7E5 73.0284 9.1E4 74.0058 2.1E5 74.0236 1.7E5 81.3433 2.2E4 83.0603 1.1E5 84.0443 9.4E4 84.0680 6.9E4 85.0702 3.6E4 85.0760 4.5E5 88.0212 2.9E4 88.0393 3.9E5 89.0167 3.2E5 89.0425 3.5E4 91.0121 2.1E4 92.0160 2.7E4 100.0220 2.4E4 102.9845 4.3E4 107.9932 4.9E4 111.0551 2.9E5 112.0392 1.2E6 113.0423 9.8E4 115.0323 1.1E6 116.0163 4.2E4 116.0362 4.6E4 117.0284 3.2E4 117.0480 1.5E5 119.0271 3.0E5 120.0113 2.4E6 121.0150 1.3E5 122.0070 6.2E4 122.0269 5.8E5 129.0658 3.6E6 130.0696 3.4E5 131.9934 2.3E5 133.0425 4.2E4 136.9725 1.9E5 143.0276 2.8E4 144.0111 1.7E5 145.0189 8.6E4 146.0269 7.4E4 151.9832 3.7E5 153.9989 6.4E5 155.0015 2.8E4 155.9949 4.5E4 161.0380 2.4E7 162.0412 2.5E6 163.0329 7.7E5 177.9991 1.2E6 179.0019 1.7E5 179.9951 8.6E4 193.0110 3.4E4 195.0256 6.1E5 196.0284 8.6E4 197.0228 4.7E4 223.0201 9.7E4 237.0362 6.4E4 241.0314 3.8E4 265.0304 7.2E4 282.0576 8.6E5 283.0602 2.3E5 284.0532 1.1E5 END IONS BEGIN IONS FEATURE_ID=1318 PEPMASS=563.1075 SCANS=1318 RTINSECONDS=651.483 CHARGE=1+ MSLEVEL=2 82.3629 1.8E4 129.0658 1.0E5 140.4306 1.8E4 153.9986 2.1E4 161.0378 4.7E5 161.0541 2.8E4 178.0000 3.5E4 282.0571 2.1E5 426.7090 1.9E4 546.3255 2.2E4 END IONS BEGIN IONS FEATURE_ID=1320 PEPMASS=282.0575 SCANS=1320 RTINSECONDS=651.511 CHARGE=1+ MSLEVEL=2 59.0604 7.2E5 65.3030 1.6E5 73.0284 2.2E5 73.8547 1.6E5 74.0060 5.3E5 74.0236 6.1E5 83.0602 4.9E5 84.0443 3.4E5 85.0204 1.5E5 85.0760 1.6E6 88.0395 1.2E6 89.0167 5.9E5 90.4516 1.6E5 94.2612 1.4E5 96.1210 1.5E5 111.0552 1.2E6 112.0393 5.0E6 112.6395 1.8E5 115.0324 3.6E6 115.0415 1.5E5 117.0479 4.0E5 119.0274 1.1E6 120.0113 7.6E6 122.0272 1.9E6 122.4588 1.7E5 129.0658 1.5E7 130.0695 4.4E5 131.9936 7.1E5 136.9724 5.6E5 144.0113 7.7E5 145.0191 3.7E5 146.0275 2.5E5 151.9835 1.4E6 153.9990 2.8E6 161.0380 9.6E7 162.0410 2.1E6 177.9990 5.0E6 195.0253 2.7E6 223.0198 6.1E5 237.0354 2.9E5 241.0321 2.3E5 265.0300 2.6E5 282.0577 4.6E6 283.0629 1.7E5 END IONS BEGIN IONS FEATURE_ID=1321 PEPMASS=284.0532 SCANS=1321 RTINSECONDS=651.513 CHARGE=1+ MSLEVEL=2 59.0603 1.2E5 73.0284 4.1E4 74.0060 4.1E4 74.0235 1.1E5 83.0602 5.0E4 84.0442 4.8E4 84.0681 5.0E4 85.0761 2.1E5 86.0789 3.5E4 88.0393 1.9E5 89.0167 9.0E4 89.0428 4.3E4 111.0551 1.7E5 112.0392 6.1E5 112.0586 3.3E4 113.0428 1.3E5 115.0322 2.8E5 116.0355 8.9E4 117.0282 1.6E5 118.0321 3.0E4 119.0272 1.2E5 120.0113 7.0E5 121.0149 1.5E5 122.0070 3.9E5 122.0170 4.2E4 122.0262 1.7E5 123.0302 3.1E4 124.0227 1.1E5 129.0657 1.8E6 130.0697 4.5E5 131.0701 7.8E4 131.9934 4.8E4 132.9960 3.7E4 133.9893 7.6E4 138.9682 5.4E4 144.0111 5.2E4 145.0177 4.1E4 151.9837 4.4E4 152.9859 4.6E4 153.9792 1.1E5 153.9990 1.0E5 155.0013 6.8E4 155.9946 2.0E5 161.0379 7.1E6 162.0412 3.1E6 163.0329 4.2E6 164.0368 1.4E5 177.9990 1.2E5 179.0015 1.6E5 179.9943 4.4E5 180.9987 3.4E4 189.2186 2.6E4 195.0253 6.9E4 196.0269 1.1E5 197.0211 2.5E5 225.0173 4.8E4 239.0322 2.7E4 267.0282 3.6E4 283.0596 2.5E5 284.0541 4.8E5 END IONS BEGIN IONS FEATURE_ID=1324 PEPMASS=163.0533 SCANS=1324 RTINSECONDS=651.674 CHARGE=1+ MSLEVEL=2 42.0338 5.2E4 58.9949 4.9E4 59.0603 3.3E5 76.0018 1.6E4 76.0215 1.5E5 83.0603 1.5E4 86.9899 1.4E5 91.0126 1.8E4 99.0552 1.4E4 100.0214 1.5E5 105.0004 1.9E5 115.0323 1.6E4 116.0357 2.8E4 117.0284 7.9E4 117.0480 1.5E5 120.0114 1.9E4 121.0143 2.5E4 121.0240 1.3E4 122.0074 5.8E4 122.0167 1.5E4 122.0269 1.4E5 122.0376 1.1E4 129.0659 3.3E4 145.0428 1.3E4 146.0269 8.6E4 162.0410 1.2E5 163.0343 1.9E5 163.0538 9.4E5 164.0567 4.2E4 END IONS BEGIN IONS FEATURE_ID=1330 PEPMASS=237.0360 SCANS=1330 RTINSECONDS=652.641 CHARGE=1+ MSLEVEL=2 59.0603 6.1E4 74.0059 4.8E4 78.9670 1.1E5 78.9723 1.0E4 84.0681 1.4E5 85.0760 2.3E5 88.0391 1.7E4 105.9778 1.4E4 106.9620 1.2E5 111.0549 1.5E4 112.0393 5.3E4 112.0633 1.1E4 113.0472 4.9E4 115.0323 2.8E4 120.0115 5.2E4 122.0272 1.4E4 129.0658 6.9E5 130.0737 1.5E5 132.9776 1.0E4 133.0432 1.5E4 150.0039 4.2E4 151.9835 4.0E4 161.0379 1.4E5 163.0537 6.6E4 177.9994 2.9E4 178.9828 8.2E4 191.0309 2.2E4 192.0144 3.4E4 193.0105 1.5E4 194.0177 4.5E5 195.0187 1.2E4 196.0102 2.9E4 237.0362 6.6E5 238.0393 3.9E4 END IONS BEGIN IONS FEATURE_ID=1334 PEPMASS=175.1187 SCANS=1334 RTINSECONDS=651.662 CHARGE=1+ MSLEVEL=2 60.0556 1.2E5 70.0651 1.6E5 112.0866 1.3E4 116.0706 1.4E5 130.0974 5.0E4 158.0924 4.4E4 175.1189 2.3E5 END IONS BEGIN IONS FEATURE_ID=1336 PEPMASS=241.0308 SCANS=1336 RTINSECONDS=656.81 CHARGE=1+ MSLEVEL=2 74.0236 3.5E4 120.0113 7.9E4 122.0269 4.5E4 151.9833 9.2E4 240.1315 1.2E4 241.0311 1.3E4 END IONS BEGIN IONS FEATURE_ID=1342 PEPMASS=246.1559 SCANS=1342 RTINSECONDS=655.621 CHARGE=1+ MSLEVEL=2 60.0556 7.1E5 66.4095 1.5E4 70.0651 2.3E6 71.0490 2.1E4 71.0685 5.8E4 72.0808 3.2E4 87.1655 1.4E4 88.0757 4.0E4 97.0758 5.8E4 98.0601 5.8E4 112.0868 5.1E5 113.0710 3.7E4 113.0904 1.8E4 114.0660 3.2E5 114.1026 3.6E4 115.0865 2.1E5 116.0705 3.6E5 124.0765 2.0E4 130.0972 6.4E4 132.0764 5.1E4 133.0971 3.5E4 135.3890 1.4E4 140.0818 9.6E4 141.1019 4.3E4 143.1178 1.7E4 157.1085 1.4E5 158.0923 5.1E5 159.0764 4.2E4 159.0956 2.2E4 166.0972 4.9E4 169.0970 5.1E4 170.0812 1.6E5 175.1189 1.6E6 176.1217 6.1E4 183.1234 7.8E4 186.1237 3.8E5 187.1077 7.1E5 188.1108 4.1E4 202.1185 3.0E4 204.1349 3.2E4 211.1191 1.2E5 212.1028 1.6E5 228.1435 3.2E4 229.1295 1.1E6 230.1322 6.5E4 246.1560 4.1E6 247.1348 6.1E4 247.1584 2.0E5 269.1174 1.4E4 END IONS BEGIN IONS FEATURE_ID=1345 PEPMASS=247.1593 SCANS=1345 RTINSECONDS=655.679 CHARGE=1+ MSLEVEL=2 60.0556 3.8E5 61.0590 1.0E4 70.0651 1.2E6 71.0684 8.1E4 72.0808 2.6E4 87.0554 1.2E4 88.0755 2.0E4 90.0549 1.9E4 97.0758 2.6E4 98.0599 2.5E4 112.0869 2.4E5 113.0709 1.8E4 113.0902 1.7E4 114.0661 2.1E5 114.1026 2.2E4 115.0503 1.5E4 115.0699 1.3E4 115.0865 1.4E5 116.0706 3.2E5 116.0897 1.4E4 117.0739 1.5E4 124.0758 1.3E4 130.0975 3.9E4 132.0766 8.1E4 133.0971 4.6E4 140.0817 3.8E4 141.1022 2.5E4 157.1082 6.2E4 158.0923 3.5E5 159.0765 4.3E4 159.0956 4.1E4 166.0973 3.2E4 169.0965 2.4E4 170.0809 8.0E4 175.1189 8.1E5 176.1223 1.1E5 183.1236 3.3E4 184.1078 1.1E4 185.1039 1.2E4 186.1236 1.9E5 187.1077 3.2E5 187.1268 3.2E4 188.1111 5.3E4 202.1183 3.4E4 211.1190 5.8E4 212.1023 6.3E4 213.1061 1.7E4 228.1458 2.3E4 229.1294 4.8E5 230.1331 1.0E5 246.1560 1.7E6 247.1356 6.0E4 247.1637 3.3E5 248.1646 2.2E4 END IONS BEGIN IONS FEATURE_ID=1346 PEPMASS=243.1086 SCANS=1346 RTINSECONDS=655.822 CHARGE=1+ MSLEVEL=2 84.0805 1.3E4 110.0712 8.0E5 111.0753 2.0E4 138.0662 2.2E4 156.0767 4.5E4 225.0981 9.5E4 243.1087 7.8E4 END IONS BEGIN IONS FEATURE_ID=1348 PEPMASS=163.0535 SCANS=1348 RTINSECONDS=657.804 CHARGE=1+ MSLEVEL=2 42.0338 6.1E4 58.9950 7.9E4 59.0604 4.7E5 76.0215 2.2E5 76.0271 1.1E4 83.0606 1.2E4 86.9897 1.5E5 99.0556 1.5E4 100.0215 1.9E5 105.0004 2.7E5 112.0393 1.6E4 117.0284 1.5E4 117.0480 2.3E5 122.0270 2.1E5 129.0660 4.9E4 145.0426 1.4E4 146.0267 1.3E5 162.0408 1.7E4 163.0535 1.3E6 164.0561 5.7E4 END IONS BEGIN IONS FEATURE_ID=1349 PEPMASS=241.0308 SCANS=1349 RTINSECONDS=658.16 CHARGE=1+ MSLEVEL=2 74.0059 1.0E4 74.0236 5.5E4 120.0113 1.1E5 122.0269 6.2E4 151.9834 1.2E5 240.1326 1.4E4 241.0310 2.3E4 END IONS BEGIN IONS FEATURE_ID=1350 PEPMASS=158.9155 SCANS=1350 RTINSECONDS=659.1 CHARGE=1+ MSLEVEL=2 78.9588 5.1E4 112.1119 1.6E4 158.0963 1.1E4 158.9157 1.0E4 END IONS BEGIN IONS FEATURE_ID=1352 PEPMASS=284.0795 SCANS=1352 RTINSECONDS=660.426 CHARGE=1+ MSLEVEL=2 85.0284 1.8E4 100.0215 2.7E4 110.0712 7.7E4 112.0392 1.3E4 120.0112 1.4E4 122.0269 3.6E4 129.0656 4.0E4 146.0269 3.7E4 161.0379 1.5E5 162.0411 6.6E4 163.0329 8.4E4 164.0372 1.1E4 179.9943 1.0E4 188.0379 1.1E4 END IONS BEGIN IONS FEATURE_ID=1353 PEPMASS=285.1192 SCANS=1353 RTINSECONDS=660.458 CHARGE=1+ MSLEVEL=2 85.0283 1.1E4 100.0217 1.4E4 110.0712 3.0E5 122.0270 1.7E4 129.0658 1.5E4 138.0660 1.2E4 146.0269 2.0E4 156.0769 2.5E4 161.0379 4.2E4 162.0410 1.7E4 163.0329 4.0E4 164.0371 1.7E4 267.1076 1.4E4 285.1189 3.3E4 END IONS BEGIN IONS FEATURE_ID=1354 PEPMASS=218.1498 SCANS=1354 RTINSECONDS=661.195 CHARGE=1+ MSLEVEL=2 84.0807 6.2E5 85.0839 1.8E4 101.1072 2.3E4 129.1021 7.3E4 130.0863 2.7E4 147.1127 3.4E4 201.1232 9.6E4 218.1499 9.9E4 END IONS BEGIN IONS FEATURE_ID=1355 PEPMASS=276.1667 SCANS=1355 RTINSECONDS=667.647 CHARGE=1+ MSLEVEL=2 52.7826 1.2E4 55.8078 1.1E4 56.0494 2.4E4 60.0556 4.0E5 70.0651 1.2E6 71.0490 3.4E4 71.0685 2.4E4 72.0806 3.1E4 72.9717 1.3E4 74.0547 1.8E4 74.0600 2.8E5 84.0442 3.4E4 88.0756 4.8E4 97.0758 2.7E4 98.0599 1.4E4 100.0506 1.2E5 102.0545 3.4E4 112.0774 2.6E4 112.0868 3.8E5 113.0708 3.7E4 115.0864 2.6E5 116.0706 3.0E5 119.0818 2.5E4 123.7046 1.4E4 126.0668 1.7E4 129.1027 1.1E4 130.0499 2.1E4 130.0977 6.7E4 133.0977 2.4E4 138.0660 2.1E4 140.0815 5.8E4 144.0767 1.9E5 144.0903 2.3E4 150.1036 1.2E4 155.0811 1.7E4 155.1183 2.8E4 157.1081 1.3E5 158.0923 5.0E5 158.1086 2.8E4 171.1123 2.1E4 172.1080 6.6E4 173.0920 7.5E4 175.1188 1.5E6 176.1222 4.4E4 181.0986 1.3E4 195.1230 1.4E4 196.1078 3.8E4 197.1390 3.4E4 198.0873 6.9E4 198.1239 1.2E4 199.1078 3.7E4 200.0913 1.5E4 213.1343 8.6E4 214.1665 9.9E4 215.1140 1.6E5 216.1344 5.5E4 217.1184 2.1E5 223.1192 2.5E4 224.1040 2.8E4 232.1404 3.4E5 234.1447 1.5E4 241.1290 1.3E5 242.1118 2.9E4 258.1559 1.5E5 259.1397 5.5E5 260.1430 3.8E4 276.1665 3.7E6 277.0283 1.3E4 277.1689 2.4E5 END IONS BEGIN IONS FEATURE_ID=1356 PEPMASS=277.1703 SCANS=1356 RTINSECONDS=667.827 CHARGE=1+ MSLEVEL=2 56.0494 1.5E4 60.0555 2.1E5 70.0650 6.1E5 71.0489 1.9E4 71.0683 5.1E4 72.0807 2.3E4 74.0599 1.5E5 75.0633 1.2E4 84.0442 1.6E4 88.0755 2.4E4 97.0763 1.3E4 100.0504 6.9E4 102.0547 2.3E4 112.0867 1.8E5 113.0706 1.5E4 113.0908 1.8E4 114.1026 1.4E4 115.0864 1.3E5 116.0704 1.6E5 116.0897 1.3E4 117.0741 1.7E4 126.0660 1.8E4 130.0496 1.1E4 130.0974 3.3E4 140.0816 3.6E4 144.0764 9.5E4 155.1179 1.3E4 157.1082 6.3E4 158.0922 2.4E5 159.0959 2.9E4 172.1077 2.7E4 173.0917 3.3E4 175.1187 6.9E5 176.1222 1.0E5 196.1082 1.6E4 197.1387 1.7E4 198.0871 3.2E4 199.1087 1.4E4 213.1341 3.5E4 214.1340 1.0E4 214.1663 3.0E4 215.1136 5.5E4 216.1371 2.1E4 217.1176 8.2E4 218.1208 1.7E4 224.1026 1.2E4 232.1402 1.4E5 233.1432 2.7E4 241.1291 5.6E4 242.1342 1.0E4 258.1557 6.0E4 259.1389 2.3E5 260.1429 6.1E4 276.1664 1.4E6 277.1692 4.3E5 278.1707 2.3E4 END IONS BEGIN IONS FEATURE_ID=1360 PEPMASS=270.1195 SCANS=1360 RTINSECONDS=668.586 CHARGE=1+ MSLEVEL=2 110.0711 4.2E5 111.0751 1.0E4 138.0660 1.7E4 156.0764 3.7E4 235.0818 1.3E4 252.1082 1.5E4 253.0916 2.0E4 270.1192 3.4E4 END IONS BEGIN IONS FEATURE_ID=1361 PEPMASS=477.7683 SCANS=1361 RTINSECONDS=668.614 CHARGE=2+ MSLEVEL=2 129.1022 5.1E4 226.1551 3.4E4 231.1487 1.5E4 259.1437 1.0E4 388.1858 1.1E4 447.2583 1.6E4 477.7676 1.6E4 548.3080 3.4E4 549.3126 1.0E4 END IONS BEGIN IONS FEATURE_ID=1362 PEPMASS=218.1499 SCANS=1362 RTINSECONDS=671.873 CHARGE=1+ MSLEVEL=2 84.0807 9.9E5 85.0843 3.0E4 101.1072 1.1E5 129.1021 1.1E6 130.0861 8.1E5 130.1059 3.4E4 131.0898 2.7E4 147.1126 1.1E6 148.1159 2.3E4 155.1179 3.3E4 157.0979 1.0E4 183.1124 5.3E4 200.1396 8.4E4 201.1231 1.1E5 218.1497 4.9E5 219.1521 2.6E4 END IONS BEGIN IONS FEATURE_ID=1364 PEPMASS=175.1188 SCANS=1364 RTINSECONDS=672.762 CHARGE=1+ MSLEVEL=2 60.0556 4.6E4 70.0651 5.5E4 116.0705 4.6E4 130.0975 1.7E4 158.0921 1.6E4 175.1188 7.6E4 END IONS BEGIN IONS FEATURE_ID=1365 PEPMASS=248.1604 SCANS=1365 RTINSECONDS=672.891 CHARGE=1+ MSLEVEL=2 84.0807 9.0E5 85.0646 1.6E4 85.0840 3.1E4 101.1072 6.9E4 102.0913 2.4E4 129.1021 1.8E5 130.0860 2.9E4 147.1128 6.3E4 213.1222 1.0E4 230.1499 3.6E4 231.1337 6.3E4 248.1603 1.3E5 END IONS BEGIN IONS FEATURE_ID=1366 PEPMASS=241.0310 SCANS=1366 RTINSECONDS=673.158 CHARGE=1+ MSLEVEL=2 74.0059 1.2E4 74.0236 5.0E4 120.0112 1.2E5 122.0269 5.9E4 151.9832 1.2E5 240.1321 1.5E4 241.0309 2.4E4 END IONS BEGIN IONS FEATURE_ID=1367 PEPMASS=232.1404 SCANS=1367 RTINSECONDS=673.298 CHARGE=1+ MSLEVEL=2 60.0556 1.7E5 70.0651 4.1E5 72.0810 4.0E4 73.0647 1.2E4 75.0553 4.0E4 84.0808 1.1E4 87.0556 1.4E4 88.0755 1.3E4 97.0759 2.1E4 100.0505 3.7E5 112.0868 1.6E5 113.0707 4.0E4 114.1028 2.1E4 115.0864 1.8E5 116.0705 4.9E5 117.0743 1.5E4 127.0867 4.6E4 128.0704 1.4E4 129.1022 6.8E4 130.0971 3.3E4 138.0663 1.6E4 140.0820 2.3E4 143.0817 1.8E4 144.0661 1.1E4 152.0820 3.5E4 154.0975 1.3E4 155.0816 2.9E4 156.0654 3.8E4 157.1083 3.5E4 158.0923 5.3E5 159.0957 2.8E4 169.1087 1.0E4 170.0924 2.1E4 172.1079 2.0E5 173.0921 3.9E5 173.1089 1.7E4 174.0956 1.1E4 175.1189 4.2E5 176.1224 1.5E4 185.1021 1.1E4 190.1189 1.9E4 197.1032 1.0E5 198.0873 1.3E5 199.0887 1.0E4 214.1296 3.3E4 215.1137 3.6E5 216.1169 1.5E4 232.1404 2.0E6 233.1431 1.1E5 END IONS BEGIN IONS FEATURE_ID=1369 PEPMASS=282.0575 SCANS=1369 RTINSECONDS=670.113 CHARGE=1+ MSLEVEL=2 112.0392 2.7E4 115.0323 2.4E4 120.0111 4.8E4 122.0266 1.3E4 129.0656 7.9E4 153.9994 1.7E4 161.0378 5.4E5 162.0408 1.6E4 177.9989 2.7E4 195.0251 1.3E4 282.0569 2.3E4 END IONS BEGIN IONS FEATURE_ID=1370 PEPMASS=313.1870 SCANS=1370 RTINSECONDS=679.67 CHARGE=2+ MSLEVEL=2 84.0443 8.7E4 84.0807 2.3E4 101.0708 2.4E4 130.0496 4.3E4 147.0763 3.0E4 195.1306 3.3E4 217.6412 2.8E4 231.6385 1.3E4 240.1746 1.4E4 273.1573 1.7E4 304.6736 1.6E4 313.1868 6.8E4 313.6884 2.4E4 351.2379 3.0E4 434.2747 1.5E4 451.3041 1.7E4 479.2972 3.2E4 480.2972 1.1E4 497.3122 1.1E4 END IONS BEGIN IONS FEATURE_ID=1371 PEPMASS=248.1606 SCANS=1371 RTINSECONDS=680.19 CHARGE=1+ MSLEVEL=2 56.0493 2.3E4 74.0600 2.6E5 84.0443 4.0E4 84.0807 5.3E5 85.0841 1.1E4 101.1073 7.5E4 129.1022 5.1E5 130.0862 3.6E5 130.1041 1.9E4 131.0896 1.3E4 147.1127 4.6E5 148.1168 2.0E4 167.1182 1.5E4 169.0975 1.2E4 170.0806 1.1E4 185.1283 1.9E4 187.1074 3.8E4 204.1340 1.3E4 212.1403 1.8E4 213.1230 3.6E4 230.1500 7.9E4 231.1319 2.9E4 248.1605 3.2E5 249.1633 2.5E4 END IONS BEGIN IONS FEATURE_ID=1374 PEPMASS=277.1390 SCANS=1374 RTINSECONDS=690.68 CHARGE=1+ MSLEVEL=2 84.0807 1.5E6 85.0840 4.8E4 130.0521 1.6E4 130.0862 8.8E5 131.0897 2.7E4 148.0606 1.4E4 167.1178 1.2E4 168.1013 1.6E4 195.1127 9.3E4 213.1233 4.8E5 214.1035 2.6E4 214.1296 2.7E4 231.1339 7.9E4 259.1288 1.6E5 260.1332 1.1E4 277.1393 1.8E5 278.1434 1.2E4 END IONS BEGIN IONS FEATURE_ID=1376 PEPMASS=278.1424 SCANS=1376 RTINSECONDS=690.812 CHARGE=1+ MSLEVEL=2 84.0808 8.3E5 85.0840 7.1E4 130.0862 4.2E5 131.0898 5.1E4 195.1129 4.4E4 213.1234 2.1E5 214.1064 1.4E4 214.1286 4.4E4 231.1339 3.8E4 259.1288 6.2E4 260.1332 1.7E4 277.1394 6.4E4 278.1418 1.9E4 END IONS BEGIN IONS FEATURE_ID=1377 PEPMASS=282.0574 SCANS=1377 RTINSECONDS=690.865 CHARGE=1+ MSLEVEL=2 85.0759 1.8E4 88.0390 1.7E4 89.0169 1.2E4 111.0550 1.3E4 112.0392 4.8E4 115.0323 4.7E4 119.0273 1.2E4 120.0115 9.5E4 122.0269 2.6E4 129.0657 1.5E5 151.9834 1.4E4 153.9990 2.1E4 161.0378 1.0E6 162.0404 2.6E4 177.9990 5.3E4 195.0260 3.0E4 282.0574 5.1E4 END IONS BEGIN IONS FEATURE_ID=1378 PEPMASS=304.1613 SCANS=1378 RTINSECONDS=691.077 CHARGE=1+ MSLEVEL=2 60.0555 2.7E5 70.0650 8.1E5 71.0490 1.2E4 71.0682 1.5E4 84.0441 3.5E4 84.0806 3.4E4 88.0756 2.0E4 97.0760 2.1E4 98.0598 3.5E4 102.0547 3.7E4 112.0867 2.4E5 112.0966 1.2E4 113.0705 3.1E4 115.0863 6.9E4 116.0704 9.7E4 129.0663 1.0E4 129.1018 2.8E4 130.0497 1.7E4 130.0860 2.0E4 130.0969 2.7E4 140.0813 5.7E4 146.4771 1.1E4 147.0761 1.4E4 147.1122 1.7E4 148.0599 2.5E4 152.9913 1.3E4 154.0608 3.5E4 157.1080 7.4E4 158.0922 1.1E5 172.0713 2.3E4 175.1188 5.9E5 176.1217 1.2E4 181.0980 1.1E4 182.0813 3.1E4 199.1069 1.4E4 210.0753 1.6E4 224.1025 3.0E4 227.1020 3.5E4 228.0859 3.0E4 241.1296 4.4E4 244.1284 1.0E5 245.1126 1.4E5 252.0973 3.1E4 258.1572 1.2E4 269.1243 3.4E4 270.1077 5.7E4 286.1509 6.0E4 287.1346 3.9E5 288.1382 2.5E4 303.1777 6.6E4 304.1610 1.4E6 305.1628 9.1E4 END IONS BEGIN IONS FEATURE_ID=1388 PEPMASS=262.1507 SCANS=1388 RTINSECONDS=691.896 CHARGE=1+ MSLEVEL=2 60.0444 1.7E5 60.0556 1.2E5 70.0651 2.9E5 72.0805 2.7E4 82.0887 1.2E4 88.0756 1.4E4 100.0503 2.5E4 105.0658 2.1E4 112.0867 1.2E5 113.0711 2.3E4 114.1021 2.6E4 115.0863 1.4E5 116.0706 2.4E5 130.0608 2.2E5 130.0972 3.7E4 138.0670 1.2E4 140.0820 1.3E4 141.9931 1.3E5 144.0087 3.6E4 152.9384 1.1E4 157.0950 1.4E4 157.1096 2.6E4 158.0923 3.3E5 158.1088 2.1E4 175.1188 6.6E5 175.9801 1.8E4 176.1223 2.9E4 182.0302 1.1E4 182.0931 1.9E4 184.1077 1.4E4 185.0915 1.6E4 192.8383 1.1E4 198.0882 1.5E4 199.1187 1.8E4 202.1188 4.9E4 203.1020 8.2E4 227.1140 8.4E4 228.0983 2.5E4 232.1398 5.7E4 244.1402 7.6E4 245.1241 2.4E5 246.2500 1.1E4 262.1508 1.6E6 263.0129 2.4E5 263.0467 1.8E4 263.1542 9.5E4 END IONS BEGIN IONS FEATURE_ID=1389 PEPMASS=204.1340 SCANS=1389 RTINSECONDS=691.921 CHARGE=1+ MSLEVEL=2 75.0550 1.9E4 84.0807 1.6E6 85.0838 5.3E4 101.1071 7.1E4 112.0759 1.4E4 129.1021 7.5E5 130.0861 4.4E5 130.1055 1.7E4 131.0897 1.6E4 139.0864 1.6E4 141.1020 7.7E4 147.1127 3.0E5 147.1274 1.6E4 148.1162 1.0E4 169.0973 4.3E4 170.0801 1.5E4 186.1233 7.0E4 186.1417 1.3E4 187.1075 2.9E5 188.1107 1.5E4 204.1341 4.8E5 205.1361 2.9E4 END IONS BEGIN IONS FEATURE_ID=1407 PEPMASS=276.1550 SCANS=1407 RTINSECONDS=693.581 CHARGE=1+ MSLEVEL=2 56.0495 1.7E4 59.3536 1.1E4 65.5969 1.3E4 70.0651 1.4E4 84.0807 3.8E6 84.8463 1.3E4 85.0838 1.0E5 86.0966 1.4E4 101.1073 2.5E5 102.0548 2.8E4 102.0912 2.3E4 111.0922 1.2E4 112.0757 4.3E4 129.1021 6.6E5 130.0497 2.9E4 130.0860 2.2E5 130.1052 2.5E4 133.1142 1.3E4 146.9508 1.3E4 147.1127 1.6E5 148.0598 7.4E4 197.1295 1.4E4 213.1234 8.2E4 240.1336 2.9E4 241.1172 2.4E4 242.1026 3.4E4 258.1457 6.2E4 259.1286 4.3E5 260.1309 2.3E4 276.1552 5.6E5 277.1634 2.3E4 END IONS BEGIN IONS FEATURE_ID=1409 PEPMASS=241.0309 SCANS=1409 RTINSECONDS=693.66 CHARGE=1+ MSLEVEL=2 52.2477 3.5E5 73.0284 8.7E5 74.0059 7.3E6 74.0236 3.6E7 76.0215 6.7E5 88.0391 2.7E6 92.0164 1.2E6 97.0746 4.2E5 105.0005 9.8E5 105.0279 3.4E5 105.9785 4.4E5 107.9932 6.5E5 120.0113 8.6E7 120.4747 3.6E5 121.0143 1.3E6 122.0269 5.2E7 123.0303 5.6E5 136.9720 2.0E6 151.9833 1.1E8 152.9855 2.4E6 153.9990 7.3E6 161.0390 3.5E5 167.2161 3.3E5 177.9989 4.0E6 179.3551 3.5E5 195.0253 9.2E6 205.9933 4.8E5 222.4603 3.8E5 224.0040 9.5E5 241.0309 2.4E7 242.0335 1.2E6 END IONS BEGIN IONS FEATURE_ID=1415 PEPMASS=243.0268 SCANS=1415 RTINSECONDS=693.74 CHARGE=1+ MSLEVEL=2 66.1604 5.3E4 74.0058 7.0E5 74.0236 5.0E6 75.0095 1.2E5 75.0217 8.3E4 75.0269 6.2E5 76.0017 3.4E5 76.0278 1.7E5 78.0171 5.2E4 88.0393 3.2E5 92.0161 8.3E4 105.0004 6.3E4 109.9890 6.7E4 120.0113 7.2E6 121.0152 1.7E6 122.0071 4.2E6 122.0266 4.3E6 122.0359 7.3E4 123.0119 7.7E4 123.0305 1.1E6 124.0225 2.6E6 138.9682 2.4E5 140.5580 5.8E4 151.9834 2.7E6 152.9859 2.6E6 153.9788 1.0E7 154.9810 2.2E5 154.9995 1.1E5 155.9942 7.0E5 177.9984 7.5E4 179.0006 1.3E5 179.9947 3.7E5 191.0848 5.5E4 195.0253 7.5E4 196.0284 2.7E5 197.0212 7.4E5 207.9894 9.0E4 226.0000 1.2E5 242.0336 1.1E6 243.0269 2.4E6 244.0283 1.3E5 268.5825 5.5E4 END IONS BEGIN IONS FEATURE_ID=1426 PEPMASS=303.1772 SCANS=1426 RTINSECONDS=694.083 CHARGE=1+ MSLEVEL=2 60.0556 1.9E5 70.0651 5.9E5 84.0443 3.6E4 88.0756 2.8E4 97.0758 2.9E4 98.0600 3.2E4 101.0709 3.2E4 112.0868 2.5E5 113.0713 1.3E4 114.1021 1.6E4 115.0866 8.1E4 116.0705 6.3E4 129.0660 1.3E4 130.0496 9.4E4 130.0970 1.5E4 140.0818 8.0E4 147.0767 1.7E5 148.2374 1.0E4 154.0608 1.3E4 157.1083 1.3E5 158.0923 1.5E5 175.1188 5.1E5 176.1227 1.3E4 181.0977 1.5E4 199.1074 1.1E4 199.9887 1.0E4 208.1083 1.1E4 209.0916 2.1E4 210.0778 1.4E4 224.1016 1.2E4 225.1367 1.3E4 226.1196 1.4E4 227.1027 6.1E4 241.1298 7.2E4 243.1445 3.9E4 244.1290 1.1E5 245.1133 2.9E4 251.1150 1.3E4 252.0976 7.1E4 253.1001 1.1E4 258.1548 4.4E4 267.1588 1.2E4 268.1400 3.4E4 269.1244 9.1E4 285.1656 2.5E4 286.1509 4.4E5 287.1371 6.5E4 303.1775 1.1E6 304.1587 2.8E5 END IONS BEGIN IONS FEATURE_ID=1437 PEPMASS=251.1661 SCANS=1437 RTINSECONDS=695.11 CHARGE=2+ MSLEVEL=2 56.4714 1.6E4 60.0556 4.5E5 70.0651 9.8E5 71.0492 8.4E4 71.0684 2.9E4 72.0812 1.5E4 77.3585 1.5E4 86.0963 1.1E5 88.0757 4.5E4 98.0607 1.5E4 99.9202 1.6E4 100.0504 3.9E4 112.0867 2.6E5 113.0700 1.7E4 113.0901 1.8E4 115.0866 8.6E4 116.0708 1.2E5 127.0872 2.4E4 130.0965 1.6E4 140.0817 4.2E4 143.1175 2.1E4 157.1081 7.2E4 158.0927 1.1E5 172.1073 2.2E4 173.0920 3.9E4 175.1188 2.0E5 183.1488 1.2E5 184.8331 1.5E4 189.1207 1.5E4 198.0864 1.9E4 210.1590 3.6E4 211.1449 2.6E4 213.1302 3.1E4 215.1139 1.0E5 221.6424 1.1E5 222.1443 2.8E4 225.1703 1.3E5 232.1399 2.1E5 233.1426 2.0E4 242.1973 4.6E4 242.6531 2.8E5 243.1557 8.0E4 251.1663 1.1E6 251.6676 2.8E5 252.1687 4.4E4 253.1664 1.4E4 270.1934 4.4E4 327.2134 7.3E4 328.1970 8.2E4 344.2427 3.1E4 345.2245 3.0E5 346.2273 5.5E4 355.2075 5.2E4 356.2130 2.0E4 425.2532 2.2E4 442.2781 5.0E4 484.2958 1.8E4 488.5402 1.5E4 514.5861 1.6E4 END IONS BEGIN IONS FEATURE_ID=1457 PEPMASS=275.1710 SCANS=1457 RTINSECONDS=696.821 CHARGE=1+ MSLEVEL=2 72.2308 2.2E4 84.0445 4.4E4 84.0807 3.8E6 85.0841 8.2E4 101.0708 6.2E4 101.1072 4.2E5 102.0915 3.5E4 112.0756 6.7E4 120.4980 2.2E4 129.1021 1.2E6 130.0497 2.0E5 130.0862 6.5E4 147.0762 4.6E5 147.1002 2.0E4 147.1126 1.3E5 148.6954 2.2E4 213.1224 2.1E4 222.1238 2.4E4 240.1344 9.9E4 241.1189 5.1E4 257.1599 3.4E4 258.1448 3.0E5 259.1296 7.2E4 275.1714 5.7E5 276.1515 1.4E5 END IONS BEGIN IONS FEATURE_ID=1466 PEPMASS=263.0128 SCANS=1466 RTINSECONDS=698.533 CHARGE=1+ MSLEVEL=2 60.0443 1.5E5 60.0556 1.0E5 70.0651 1.9E5 70.0698 1.3E4 72.0808 2.5E4 100.0504 2.6E4 112.0868 8.3E4 113.0710 3.2E4 114.1033 1.0E4 115.0863 1.0E5 116.0705 1.5E5 130.0610 1.8E5 130.0973 2.9E4 140.0818 1.1E4 141.9932 1.4E5 144.0088 5.4E4 157.1084 2.1E4 158.0923 2.7E5 159.0955 2.1E4 175.1189 4.2E5 175.9804 1.1E4 176.1219 3.5E4 184.1068 1.0E4 185.0901 1.1E4 198.0869 1.2E4 199.1193 2.5E4 202.1179 2.1E4 203.1025 6.9E4 215.1133 1.2E4 217.9919 1.7E4 227.1140 4.5E4 228.0980 2.5E4 232.1403 3.1E4 244.1402 3.2E4 245.1238 1.4E5 246.1261 1.5E4 262.1508 1.0E6 263.0130 2.0E5 263.0470 1.6E4 263.1539 1.4E5 264.0175 1.2E4 END IONS BEGIN IONS FEATURE_ID=1469 PEPMASS=278.9866 SCANS=1469 RTINSECONDS=698.936 CHARGE=1+ MSLEVEL=2 279.0931 1.5E4 END IONS BEGIN IONS FEATURE_ID=1471 PEPMASS=396.2363 SCANS=1471 RTINSECONDS=700.641 CHARGE=2+ MSLEVEL=2 84.0442 1.3E4 84.0807 4.1E5 85.0842 1.8E4 101.1073 1.2E4 102.0547 3.6E4 102.0915 2.1E4 120.0807 2.7E4 129.1021 8.0E4 130.0858 2.2E4 147.1129 6.8E4 226.1544 4.2E4 231.1490 7.7E4 232.1525 1.2E4 244.1657 1.2E5 245.1689 1.3E4 259.1437 5.9E4 260.1484 1.1E4 318.2182 3.6E4 345.2145 1.7E4 360.1961 1.0E4 366.6994 3.4E4 374.2231 1.9E4 387.2316 2.3E4 387.7333 1.8E4 388.1867 4.1E4 396.2366 1.4E5 396.7387 5.5E4 397.2431 1.5E4 419.2642 1.4E4 447.2599 7.5E4 448.2646 1.9E4 489.2305 1.2E4 504.2803 2.5E4 520.3132 2.5E4 521.3181 1.2E4 530.2990 1.4E4 548.3080 7.5E4 549.3084 2.9E4 621.3245 2.2E4 END IONS BEGIN IONS FEATURE_ID=1473 PEPMASS=234.1447 SCANS=1473 RTINSECONDS=701.415 CHARGE=1+ MSLEVEL=2 60.0443 4.8E5 84.0807 2.1E6 85.0840 5.7E4 101.1072 2.7E5 101.1157 1.3E4 102.0913 2.9E4 105.0656 1.7E4 107.3291 1.0E4 111.0912 1.3E4 122.9594 1.1E4 128.0701 2.3E4 129.1021 1.8E6 130.0861 1.2E6 130.1040 6.6E4 131.0893 1.8E4 139.0871 1.4E4 147.1126 1.2E6 148.1157 3.7E4 153.1024 1.7E4 157.0964 1.5E4 163.0863 2.0E4 169.0955 1.3E4 171.1125 1.1E5 173.4998 1.1E4 181.0973 2.7E4 198.1236 4.3E4 199.1073 1.3E5 204.1340 1.3E4 216.1340 2.4E5 217.1176 1.6E5 234.1447 1.0E6 235.1475 5.5E4 244.5577 1.1E4 END IONS BEGIN IONS FEATURE_ID=1485 PEPMASS=261.1556 SCANS=1485 RTINSECONDS=703.583 CHARGE=1+ MSLEVEL=2 70.0287 1.8E4 70.0651 2.5E4 82.0652 1.2E4 84.0807 9.4E5 85.0840 2.5E4 87.0552 1.9E5 88.0392 8.5E4 101.1072 1.0E5 111.0915 6.4E4 112.0755 1.7E4 127.0868 2.4E4 128.0700 1.8E4 129.1021 1.7E6 130.0862 4.3E5 130.1048 6.4E4 131.0897 1.0E4 139.0865 5.1E4 147.1127 4.7E5 148.1161 1.3E4 156.1127 1.9E4 157.0969 2.8E5 158.1007 1.0E4 164.0714 1.3E4 167.0813 2.3E4 175.1196 1.1E4 180.1130 1.3E4 181.0977 1.5E4 184.1079 1.8E5 185.0919 1.6E4 191.0813 1.4E4 198.1236 7.1E4 199.1075 1.5E4 204.1340 1.4E4 208.1077 2.9E4 209.0918 5.6E5 210.0729 1.0E4 210.0968 3.6E4 225.1349 1.4E4 226.1187 2.7E5 227.0994 5.5E4 227.1269 1.3E4 243.1457 6.6E4 244.1288 2.8E5 245.1315 1.7E4 261.1556 6.5E5 262.1564 7.2E4 END IONS BEGIN IONS FEATURE_ID=1487 PEPMASS=289.1616 SCANS=1487 RTINSECONDS=704.035 CHARGE=1+ MSLEVEL=2 60.0555 1.8E5 60.0592 1.5E4 70.0651 6.9E5 71.0492 1.3E4 71.0687 1.3E4 87.0549 2.0E4 88.0393 1.9E4 88.0755 2.8E4 97.0759 2.1E4 98.0597 1.8E4 112.0775 1.6E4 112.0868 2.1E5 113.0709 1.3E4 114.1026 2.4E4 115.0864 7.1E4 116.0704 4.7E4 130.0972 1.7E4 133.0610 4.5E4 140.0815 6.7E4 141.1024 1.2E4 157.0731 1.1E4 157.1081 9.9E4 158.0923 8.5E4 167.0809 1.2E4 175.1188 4.1E5 183.1248 2.0E4 195.0763 3.6E4 196.0714 1.4E4 200.1509 7.8E4 212.1028 3.3E4 213.0863 1.1E5 227.1137 2.0E4 229.1297 1.5E4 230.1130 8.0E4 231.0982 2.9E4 238.0824 3.4E4 254.1249 2.1E4 255.1086 1.4E5 272.1351 6.5E5 273.1145 6.6E4 289.1617 6.6E5 290.1436 2.6E5 END IONS BEGIN IONS FEATURE_ID=1488 PEPMASS=182.9849 SCANS=1488 RTINSECONDS=704.171 CHARGE=1+ MSLEVEL=2 97.9687 1.3E4 113.9636 4.4E4 131.9743 1.2E4 141.9586 1.1E4 159.9693 1.2E4 END IONS BEGIN IONS FEATURE_ID=1492 PEPMASS=304.0269 SCANS=1492 RTINSECONDS=708.427 CHARGE=1+ MSLEVEL=2 156.0508 1.1E4 182.0296 2.2E4 193.9791 4.4E4 200.0401 1.6E4 263.0004 1.9E4 281.0110 6.1E4 END IONS BEGIN IONS FEATURE_ID=1499 PEPMASS=151.0351 SCANS=1499 RTINSECONDS=711.033 CHARGE=1+ MSLEVEL=2 68.9822 2.0E4 74.0236 3.6E4 82.0137 4.2E4 86.9927 3.5E4 100.0243 8.0E4 105.0032 3.4E4 110.0085 7.2E4 118.0348 2.7E4 128.0191 3.8E5 129.0202 4.5E4 146.0296 7.7E4 147.0309 1.1E4 151.0354 3.2E4 END IONS BEGIN IONS FEATURE_ID=1503 PEPMASS=278.9867 SCANS=1503 RTINSECONDS=703.642 CHARGE=1+ MSLEVEL=2 70.0650 2.4E4 86.0963 1.5E4 197.1034 1.3E4 279.0926 1.3E4 279.6769 2.8E4 END IONS BEGIN IONS FEATURE_ID=1509 PEPMASS=304.0269 SCANS=1509 RTINSECONDS=710.67 CHARGE=1+ MSLEVEL=2 70.0649 1.2E4 156.0507 2.4E4 175.1187 1.1E4 182.0298 4.6E4 193.9791 1.1E5 200.0405 3.0E4 201.9833 1.0E4 211.9884 1.3E4 216.9949 1.0E4 219.0106 2.3E4 263.0003 5.0E4 281.0110 1.4E5 282.0128 1.4E4 304.0272 1.4E4 304.1605 1.1E4 END IONS BEGIN IONS FEATURE_ID=1510 PEPMASS=151.0351 SCANS=1510 RTINSECONDS=712.04 CHARGE=1+ MSLEVEL=2 68.9821 3.2E4 74.0237 9.3E4 82.0137 5.8E4 86.9927 5.3E4 100.0243 1.0E5 101.0253 1.2E4 105.0032 4.7E4 110.0087 1.3E5 111.0095 1.2E4 118.0348 3.2E4 128.0192 5.4E5 129.0203 6.0E4 146.0298 1.0E5 151.0353 4.5E4 END IONS BEGIN IONS FEATURE_ID=1515 PEPMASS=376.2189 SCANS=1515 RTINSECONDS=716.356 CHARGE=1+ MSLEVEL=2 74.0599 1.7E5 84.0442 2.2E4 84.0806 7.8E4 88.0391 4.3E4 101.0709 1.6E4 119.0813 2.7E5 120.0111 1.3E4 129.0654 1.1E4 129.1020 1.2E5 130.0861 6.4E4 140.0703 1.2E4 147.1125 1.3E5 169.0606 1.2E4 178.0502 1.5E4 195.0763 6.8E4 202.1187 1.8E4 203.1011 1.1E4 212.1019 1.6E4 230.1133 1.4E5 231.1198 1.1E4 239.1491 1.3E4 240.1333 2.3E4 255.9776 1.2E4 257.1605 3.9E4 258.1444 7.0E4 275.1705 2.0E4 323.1712 2.2E4 376.2185 2.0E5 377.2238 2.9E4 END IONS BEGIN IONS FEATURE_ID=1521 PEPMASS=473.3445 SCANS=1521 RTINSECONDS=726.146 CHARGE=1+ MSLEVEL=2 72.0807 3.3E4 84.0807 1.7E5 101.1072 3.5E4 129.1021 2.4E5 130.0861 3.1E4 147.1127 9.4E4 171.1492 1.6E4 183.1489 7.2E4 200.1752 1.2E4 210.1595 1.3E4 228.1707 2.9E4 246.1811 1.0E5 299.2457 1.1E4 309.2281 1.5E4 327.2387 2.5E4 345.2501 2.8E4 473.2500 1.0E4 473.3438 1.4E5 474.3467 2.4E4 END IONS BEGIN IONS FEATURE_ID=1522 PEPMASS=298.0525 SCANS=1522 RTINSECONDS=728.219 CHARGE=1+ MSLEVEL=2 70.0651 1.5E4 84.0445 1.1E4 85.0396 1.1E4 92.0162 1.6E4 112.0391 2.1E4 122.0269 8.8E4 130.0497 1.2E5 131.0447 4.7E4 145.0609 1.3E4 151.9834 2.0E4 177.0327 2.6E5 179.0484 1.7E4 195.0251 1.3E4 235.0206 4.1E4 298.0521 3.3E4 END IONS BEGIN IONS FEATURE_ID=1523 PEPMASS=173.1341 SCANS=1523 RTINSECONDS=749.854 CHARGE=2+ MSLEVEL=2 60.0807 2.0E4 70.0652 1.5E4 84.0807 7.4E4 143.5971 2.4E4 173.1339 7.6E4 173.6356 1.1E4 175.1187 4.0E4 END IONS BEGIN IONS FEATURE_ID=1524 PEPMASS=427.0953 SCANS=1524 RTINSECONDS=757.982 CHARGE=1+ MSLEVEL=2 84.0443 4.8E4 92.0165 1.6E4 99.0551 1.0E4 112.0394 3.5E4 120.0110 1.1E4 122.0269 1.7E5 130.0497 2.6E5 131.0441 4.5E4 131.9935 1.1E4 145.0607 4.3E4 151.9836 2.7E4 153.0654 1.3E4 153.9991 3.0E4 162.0219 1.4E4 177.0327 3.7E5 177.9990 2.9E4 178.0354 1.5E4 179.0484 3.9E4 181.0603 1.4E4 185.0378 2.0E4 195.0260 4.8E4 199.0712 4.1E4 209.0048 1.2E4 231.0432 2.7E5 232.0455 1.4E4 235.0204 1.1E5 257.0758 1.6E4 288.0642 1.5E4 298.0525 2.3E5 299.0546 1.9E4 352.0634 2.3E4 END IONS BEGIN IONS FEATURE_ID=1525 PEPMASS=182.9849 SCANS=1525 RTINSECONDS=773.89 CHARGE=1+ MSLEVEL=2 113.9636 2.3E4 END IONS BEGIN IONS FEATURE_ID=1527 PEPMASS=167.0127 SCANS=1527 RTINSECONDS=775.028 CHARGE=1+ MSLEVEL=2 84.9596 1.7E5 102.9701 3.7E4 120.0806 1.7E4 125.9862 2.0E4 143.9967 2.5E4 END IONS BEGIN IONS FEATURE_ID=1528 PEPMASS=255.9440 SCANS=1528 RTINSECONDS=775.035 CHARGE=1+ MSLEVEL=2 84.9596 5.4E4 158.9277 5.8E4 176.9382 2.2E4 186.9227 4.2E4 204.9333 4.0E4 214.9176 4.0E4 222.9439 1.1E4 232.9281 1.4E5 250.9385 5.1E4 255.9441 1.3E4 END IONS BEGIN IONS FEATURE_ID=1530 PEPMASS=385.9017 SCANS=1530 RTINSECONDS=775.261 CHARGE=1+ MSLEVEL=2 214.9174 2.1E4 232.9279 4.6E4 250.9389 1.4E4 END IONS BEGIN IONS FEATURE_ID=1531 PEPMASS=143.9967 SCANS=1531 RTINSECONDS=775.372 CHARGE=1+ MSLEVEL=2 84.9597 2.2E4 121.9661 6.2E4 144.0108 1.1E4 END IONS BEGIN IONS FEATURE_ID=1533 PEPMASS=125.9862 SCANS=1533 RTINSECONDS=775.53 CHARGE=1+ MSLEVEL=2 56.9647 2.8E4 84.9596 2.4E6 85.9629 1.1E4 102.9701 1.9E5 120.9808 1.4E4 125.9860 5.0E4 143.9967 1.4E4 END IONS BEGIN IONS FEATURE_ID=1536 PEPMASS=282.9048 SCANS=1536 RTINSECONDS=777.197 CHARGE=1+ MSLEVEL=2 232.9278 2.5E4 END IONS BEGIN IONS FEATURE_ID=1539 PEPMASS=491.7875 SCANS=1539 RTINSECONDS=806.147 CHARGE=2+ MSLEVEL=2 110.0713 1.5E4 197.1283 1.3E4 355.2218 1.6E4 369.2193 1.8E4 411.7644 1.9E4 425.7610 3.1E4 426.2625 1.3E4 483.2770 1.2E4 491.7882 5.4E4 492.2897 2.7E4 END IONS BEGIN IONS FEATURE_ID=1540 PEPMASS=167.0127 SCANS=1540 RTINSECONDS=844.123 CHARGE=1+ MSLEVEL=2 84.9596 3.1E4 120.0806 1.9E4 END IONS BEGIN IONS FEATURE_ID=1541 PEPMASS=241.0309 SCANS=1541 RTINSECONDS=845.024 CHARGE=1+ MSLEVEL=2 74.0236 2.2E4 120.0113 5.3E4 122.0269 3.0E4 151.9834 6.1E4 241.0311 1.1E4 END IONS BEGIN IONS FEATURE_ID=1542 PEPMASS=125.9861 SCANS=1542 RTINSECONDS=844.637 CHARGE=1+ MSLEVEL=2 84.9596 3.6E5 102.9702 6.8E4 120.9807 1.6E4 125.9859 1.4E4 END IONS BEGIN IONS FEATURE_ID=1543 PEPMASS=241.0309 SCANS=1543 RTINSECONDS=855.477 CHARGE=1+ MSLEVEL=2 74.0237 1.9E4 120.0113 4.5E4 122.0269 2.7E4 151.9833 5.4E4 END IONS BEGIN IONS FEATURE_ID=1544 PEPMASS=125.9861 SCANS=1544 RTINSECONDS=855.795 CHARGE=1+ MSLEVEL=2 84.9596 3.3E5 102.9702 6.1E4 120.9806 1.8E4 125.9867 1.1E4 END IONS BEGIN IONS FEATURE_ID=1545 PEPMASS=125.9861 SCANS=1545 RTINSECONDS=856.927 CHARGE=1+ MSLEVEL=2 84.9596 3.4E5 102.9702 6.3E4 120.9807 1.6E4 END IONS BEGIN IONS FEATURE_ID=1546 PEPMASS=167.0127 SCANS=1546 RTINSECONDS=857.705 CHARGE=1+ MSLEVEL=2 84.9596 2.6E4 120.0805 2.0E4 END IONS BEGIN IONS FEATURE_ID=1547 PEPMASS=241.0309 SCANS=1547 RTINSECONDS=884.267 CHARGE=1+ MSLEVEL=2 74.0236 2.5E4 120.0112 5.5E4 122.0269 3.5E4 151.9834 6.1E4 241.0311 1.4E4 END IONS BEGIN IONS FEATURE_ID=1548 PEPMASS=241.0310 SCANS=1548 RTINSECONDS=922.891 CHARGE=1+ MSLEVEL=2 74.0236 2.6E4 120.0113 6.0E4 122.0270 3.8E4 151.9834 7.5E4 241.0306 1.6E4 END IONS BEGIN IONS FEATURE_ID=1549 PEPMASS=241.0309 SCANS=1549 RTINSECONDS=933.645 CHARGE=1+ MSLEVEL=2 74.0056 1.4E4 74.0236 6.0E4 120.0113 1.4E5 122.0269 8.2E4 151.9833 1.4E5 153.9992 1.1E4 195.0252 1.7E4 241.0313 3.1E4 END IONS BEGIN IONS FEATURE_ID=1550 PEPMASS=125.9861 SCANS=1550 RTINSECONDS=1147.559 CHARGE=1+ MSLEVEL=2 84.9596 2.9E5 102.9702 5.5E4 120.9810 1.3E4 END IONS BEGIN IONS FEATURE_ID=1551 PEPMASS=125.9861 SCANS=1551 RTINSECONDS=1154.241 CHARGE=1+ MSLEVEL=2 84.9597 3.0E5 102.9702 4.6E4 120.9807 1.4E4 126.0370 1.2E4 END IONS nf_output/clustering/tall_raw_data.tsv0000644000000000000000000161036414777454545017353 0ustar rootrootrow ID filename area raw_data row m/z row retention time 1 Sample_11_pos.mzML 43904.67 0 124.08669564836464 0.884114 2 Sample_11_pos.mzML 17198.719 0 709.5135709142155 0.9277029 3 Sample_11_pos.mzML 42203.266 0 708.5102830575064 0.92855316 4 Sample_11_pos.mzML 18823.59 0 680.4788218943072 0.94213986 5 Sample_11_pos.mzML 18665.426 0 663.4525341847894 0.94251555 8 Sample_11_pos.mzML 78823.64 0 124.0866635483428 0.9758523 13 Sample_11_pos.mzML 190540.06 0 338.3410184191165 0.94918865 14 Sample_11_pos.mzML 123749.67 0 228.19530207513023 0.9487448 15 Sample_11_pos.mzML 140684.92 0 431.3836089366016 0.94785005 16 Sample_11_pos.mzML 36768.062 0 171.14883588649835 0.96850353 18 Sample_11_pos.mzML 266606.94 0 392.253772671759 0.95138794 19 Sample_11_pos.mzML 3383.8772 0 144.98179283118262 0.9658699 24 Sample_11_pos.mzML 2801197.0 0 394.2890043118055 0.9663088 25 Sample_11_pos.mzML 12242823.0 0 393.2855729410101 0.9663088 27 Sample_11_pos.mzML 770273.9 0 377.2624336443359 0.96850294 34 Sample_11_pos.mzML 3328166.2 0 376.2589851838652 0.9727521 38 Sample_11_pos.mzML 1526016.9 0 421.31661595485554 0.9779623 39 Sample_11_pos.mzML 222975.27 0 88.07551193113026 0.97947496 53 Sample_11_pos.mzML 87130.625 0 124.08666138918748 0.993165 56 Sample_11_pos.mzML 29960.107 0 377.2624197988114 0.9718469 59 Sample_11_pos.mzML 169823.06 0 432.2372666227246 1.0112926 62 Sample_11_pos.mzML 113629.32 0 421.3166253437647 0.97587925 63 Sample_11_pos.mzML 105654.46 0 387.179513993051 1.0174752 64 Sample_11_pos.mzML 115987.055 0 404.206042018552 1.0174752 66 Sample_11_pos.mzML 22938.926 0 88.07550968410891 0.9884599 67 Sample_11_pos.mzML 132404.44 0 394.2889108048021 0.9842202 68 Sample_11_pos.mzML 53599.016 0 351.23847785630625 1.0211498 70 Sample_11_pos.mzML 650581.7 0 393.2854598750544 0.9889083 73 Sample_11_pos.mzML 147673.61 0 376.25890207776246 0.99538916 74 Sample_11_pos.mzML 0.0 0 288.2529471652366 1.0429213 75 Sample_11_pos.mzML 20606.285 0 331.0807619477385 1.0405952 77 Sample_11_pos.mzML 67368.61 0 326.3776187676901 1.0575842 78 Sample_11_pos.mzML 80531.6 0 171.14889188727136 1.0486741 79 Sample_11_pos.mzML 11860.268 0 327.3810916038047 1.0591878 80 Sample_11_pos.mzML 25714.828 0 163.13257303241096 1.0823013 81 Sample_11_pos.mzML 634669.3 0 393.2854036509345 1.0183046 83 Sample_11_pos.mzML 140118.27 0 244.1904237605233 1.0973613 84 Sample_11_pos.mzML 149889.66 0 226.1798566023925 1.0981086 85 Sample_11_pos.mzML 76975.85 0 266.17230843797444 1.0986773 86 Sample_11_pos.mzML 16401.393 0 227.1831032067456 1.0987782 87 Sample_11_pos.mzML 37309.28 0 304.29949433328 1.1027321 88 Sample_11_pos.mzML 1900.8491 0 305.30293167052633 1.1067916 92 Sample_11_pos.mzML 16380.995 0 251.18498943129944 1.1416863 93 Sample_11_pos.mzML 56171.094 0 124.08670965523844 1.1556855 94 Sample_11_pos.mzML 20813.043 0 216.0559227001227 1.1569017 95 Sample_11_pos.mzML 3099652.0 0 214.04970061718825 1.1580465 97 Sample_11_pos.mzML 387732.62 0 215.0529211514825 1.1586148 98 Sample_11_pos.mzML 47265.434 0 212.14716102940864 1.1687001 99 Sample_11_pos.mzML 3279.8098 0 258.2788169776792 1.167492 100 Sample_11_pos.mzML 119432.4 0 88.07553334535379 1.1669827 101 Sample_11_pos.mzML 39077.41 0 180.10163704706503 1.1693052 102 Sample_11_pos.mzML 0.0 0 259.28220830541363 1.1698533 103 Sample_11_pos.mzML 413209.2 0 211.143882330612 1.1725975 104 Sample_11_pos.mzML 53515.117 0 367.2087928080393 1.1786896 106 Sample_11_pos.mzML 17960.531 0 164.07039862833477 1.1870936 107 Sample_11_pos.mzML 17928.541 0 245.1281492380409 1.1915327 108 Sample_11_pos.mzML 22371.252 0 284.13905400436323 1.1924504 110 Sample_11_pos.mzML 18514.877 0 230.2476229409027 1.208052 111 Sample_11_pos.mzML 0.0 0 231.2509189682441 1.2119467 113 Sample_11_pos.mzML 33018.02 0 245.1282150522416 1.2145875 114 Sample_11_pos.mzML 45860.918 0 197.1282601988709 1.232969 115 Sample_11_pos.mzML 0.0 0 200.23706200725795 1.2285993 116 Sample_11_pos.mzML 11814.967 0 402.3573877818645 1.2316772 117 Sample_11_pos.mzML 12818.23 0 144.04758008856655 1.2390124 119 Sample_11_pos.mzML 22371.252 0 284.1390667992057 1.1856359 120 Sample_11_pos.mzML 71123.26 0 110.05986025284652 1.3090072 121 Sample_11_pos.mzML 73294.09 0 156.10173858023458 1.2697691 122 Sample_11_pos.mzML 22672.969 0 590.2061363974616 1.27046 123 Sample_11_pos.mzML 11144.289 0 138.09113936072484 1.286875 124 Sample_11_pos.mzML 154729.64 0 96.0442997411288 1.286875 125 Sample_11_pos.mzML 60556.43 0 162.06601688304164 1.2898526 127 Sample_11_pos.mzML 5932.2837 0 170.11734099333302 1.2949688 128 Sample_11_pos.mzML 8028.8115 0 210.1097480469689 1.3193958 129 Sample_11_pos.mzML 0.0 0 146.98014902199242 1.2979198 130 Sample_11_pos.mzML 45651.14 0 197.12825593496416 1.2959038 131 Sample_11_pos.mzML 1478.6274 0 144.98196187706563 1.3213226 135 Sample_11_pos.mzML 35394.59 0 169.07576992147565 1.3398076 137 Sample_11_pos.mzML 168716.45 0 246.1519543589688 1.3437899 138 Sample_11_pos.mzML 41828.562 0 195.11265710236808 1.3443106 140 Sample_11_pos.mzML 26932.639 0 154.0860441472675 1.3451465 142 Sample_11_pos.mzML 76904.875 0 110.0598549901638 1.3488079 148 Sample_11_pos.mzML 75140.164 0 243.14891618061824 1.3506924 151 Sample_11_pos.mzML 189464.27 0 126.05477443803215 1.3522042 152 Sample_11_pos.mzML 126869.9 0 100.07552017645202 1.3522406 156 Sample_11_pos.mzML 121059.54 0 283.12204191444454 1.3535328 166 Sample_11_pos.mzML 78457.0 0 298.0965493713124 1.3567747 167 Sample_11_pos.mzML 152510.5 0 227.17513409439653 1.3601131 170 Sample_11_pos.mzML 92865.836 0 239.1486489095845 1.3637681 171 Sample_11_pos.mzML 94544.06 0 332.20810646332137 1.3653196 173 Sample_11_pos.mzML 599749.8 0 331.2046411437328 1.3668481 175 Sample_11_pos.mzML 95640.88 0 353.18635058440617 1.3700385 177 Sample_11_pos.mzML 106631.49 0 124.08674078601246 1.378172 178 Sample_11_pos.mzML 962152.5 0 123.05520806435112 1.3835589 181 Sample_11_pos.mzML 88898.3 0 224.07373638627203 1.3882531 182 Sample_11_pos.mzML 112479.66 0 195.1224565621741 1.3905834 184 Sample_11_pos.mzML 7499.01 0 210.1097363228984 1.3884922 187 Sample_11_pos.mzML 121059.54 0 283.1220435150896 1.3583255 190 Sample_11_pos.mzML 24476.838 0 195.11287983767883 1.3899492 191 Sample_11_pos.mzML 36085.855 0 249.13438273444345 1.4200606 192 Sample_11_pos.mzML 0.0 0 105.06971063859694 1.4354923 193 Sample_11_pos.mzML 12128.691 0 393.28554314722027 1.3910813 195 Sample_11_pos.mzML 69991.08 0 124.08674995537856 1.3871161 196 Sample_11_pos.mzML 7476.2764 0 393.28567548041735 1.4236475 197 Sample_11_pos.mzML 5443.09 0 151.09631717250656 1.4888855 198 Sample_11_pos.mzML 10548.06 0 348.14383698933153 1.4761354 199 Sample_11_pos.mzML 23827.43 0 375.0811540275393 1.489473 201 Sample_11_pos.mzML 11065.5 0 353.0992471828444 1.4867625 202 Sample_11_pos.mzML 0.0 0 337.03648815326005 1.5395262 203 Sample_11_pos.mzML 5347.3066 0 321.06256590229526 1.5395222 204 Sample_11_pos.mzML 0.0 0 298.0966397086858 1.6940964 205 Sample_11_pos.mzML 151159.64 0 190.08951118437503 1.7135324 206 Sample_11_pos.mzML 0.0 0 144.98195244122175 1.9972055 207 Sample_11_pos.mzML 102043.414 0 190.0894178152409 1.9916908 208 Sample_11_pos.mzML 23022.918 0 146.08097871921322 1.9896737 209 Sample_11_pos.mzML 236941.84 0 267.1449176772506 1.9950703 210 Sample_11_pos.mzML 87768.016 0 152.07041948711262 2.0314512 211 Sample_11_pos.mzML 2008817.9 0 170.08106776554337 2.0327005 212 Sample_11_pos.mzML 156045.27 0 171.08430196994564 2.037283 213 Sample_11_pos.mzML 55433.297 0 331.2046255896961 2.049584 214 Sample_11_pos.mzML 45608.336 0 212.10276003144267 2.2255604 215 Sample_11_pos.mzML 366623.12 0 176.07386576343754 2.2393477 216 Sample_11_pos.mzML 0.0 0 395.1961437435049 2.25555 217 Sample_11_pos.mzML 25877.027 0 171.07623002808543 2.4603689 218 Sample_11_pos.mzML 0.0 0 136.06166758377617 2.4618294 219 Sample_11_pos.mzML 44984.23 0 162.99758522735817 2.464494 220 Sample_11_pos.mzML 63034.605 0 176.07378886026444 2.466533 221 Sample_11_pos.mzML 97944.336 0 212.1027452521681 2.4712422 222 Sample_11_pos.mzML 57596.863 0 234.0846850483877 2.4712543 224 Sample_11_pos.mzML 93846.82 0 251.1500001009124 2.490054 225 Sample_11_pos.mzML 108479.164 0 170.08096549677393 2.497286 227 Sample_11_pos.mzML 154373.69 0 242.09971739527816 2.5311325 228 Sample_11_pos.mzML 367004.9 0 220.11781080236509 2.5324228 229 Sample_11_pos.mzML 30047.365 0 221.1210520053073 2.5324228 231 Sample_11_pos.mzML 635982.8 0 137.04566565562763 2.61302 232 Sample_11_pos.mzML 233602.23 0 167.09253949646646 2.6150174 233 Sample_11_pos.mzML 596183.2 0 159.02756167849526 2.6262987 234 Sample_11_pos.mzML 305291.7 0 175.00145180579432 2.6233456 235 Sample_11_pos.mzML 156307.25 0 83.06022538821384 2.6915092 236 Sample_11_pos.mzML 375144.84 0 159.02754096432605 2.6711876 238 Sample_11_pos.mzML 1089298.4 0 269.1074820276356 2.733594 239 Sample_11_pos.mzML 118742.805 0 136.06159150189967 2.7327607 240 Sample_11_pos.mzML 10517752.0 0 268.103853951424 2.735583 241 Sample_11_pos.mzML 56348.418 0 124.0867204867036 2.7465951 242 Sample_11_pos.mzML 51651.69 0 206.04549179878435 2.7396824 246 Sample_11_pos.mzML 104284.22 0 169.05813466701616 2.7622888 247 Sample_11_pos.mzML 20279.715 0 147.07620312825443 2.7634428 249 Sample_11_pos.mzML 109702.13 0 251.14995309511343 2.8096216 250 Sample_11_pos.mzML 55864.977 0 124.08672952186082 2.7857726 251 Sample_11_pos.mzML 78661.055 0 166.07212983034697 2.8522704 252 Sample_11_pos.mzML 29497.404 0 86.09628372212455 2.8936963 253 Sample_11_pos.mzML 320714.78 0 162.0582063782167 2.922553 254 Sample_11_pos.mzML 39949.965 0 158.08114129553522 3.0417824 255 Sample_11_pos.mzML 46808.074 0 124.03925425687731 3.3331635 256 Sample_11_pos.mzML 42854.23 0 131.11768354659372 3.5462894 259 Sample_11_pos.mzML 185315.12 0 147.03008748928804 3.6102345 265 Sample_11_pos.mzML 103726.414 0 237.1342771902892 3.554259 268 Sample_11_pos.mzML 3421684.8 0 104.10690922607166 3.615613 270 Sample_11_pos.mzML 106912.3 0 105.1101628079843 3.5773337 276 Sample_11_pos.mzML 407098.44 0 356.99219855042145 3.6094525 277 Sample_11_pos.mzML 347800.12 0 257.10061043785606 3.6021051 278 Sample_11_pos.mzML 1567190.6 0 235.11878342337727 3.6104362 279 Sample_11_pos.mzML 3021338.5 0 104.10691140742011 3.6254394 281 Sample_11_pos.mzML 6572443.5 0 146.02691561369866 3.617239 282 Sample_11_pos.mzML 1341534.4 0 189.99069726862683 3.6186962 284 Sample_11_pos.mzML 2463003.8 0 104.10691151684348 3.6318386 285 Sample_11_pos.mzML 119634.86 0 105.11016638499711 3.6433537 286 Sample_11_pos.mzML 414608.8 0 270.1921498403816 3.6826499 289 Sample_11_pos.mzML 254523.9 0 307.0436219791634 3.8853528 297 Sample_11_pos.mzML 473159.62 0 291.0697298907951 3.9010928 298 Sample_11_pos.mzML 208120.97 0 257.1006228106187 3.904753 299 Sample_11_pos.mzML 140185.03 0 270.1921248236023 3.9918861 305 Sample_11_pos.mzML 1177150.6 0 235.11874356344256 3.9848194 307 Sample_11_pos.mzML 1154298.0 0 146.02687268396707 3.9806588 308 Sample_11_pos.mzML 221953.38 0 314.09137691435643 3.989151 310 Sample_11_pos.mzML 173100.95 0 269.0877500718245 3.9971244 311 Sample_11_pos.mzML 316338.47 0 270.1921288646996 3.9987442 313 Sample_11_pos.mzML 209468.11 0 137.04561392556303 4.0023994 314 Sample_11_pos.mzML 120755.83 0 268.1037209235785 4.003829 315 Sample_11_pos.mzML 234924.05 0 163.05335215225128 4.0424848 317 Sample_11_pos.mzML 989922.0 0 152.05653168599866 4.009559 321 Sample_11_pos.mzML 3765953.8 0 148.04256672639687 4.012652 324 Sample_11_pos.mzML 108380.14 0 213.08672615987487 4.018884 334 Sample_11_pos.mzML 207337.4 0 245.18571573726572 4.136272 345 Sample_11_pos.mzML 91761.484 0 134.11737910350053 4.1628757 348 Sample_11_pos.mzML 532982.5 0 163.0533777453292 4.1968255 349 Sample_11_pos.mzML 0.0 0 137.04558546014155 4.19949 352 Sample_11_pos.mzML 61703.28 0 268.1037602942401 4.2119775 353 Sample_11_pos.mzML 68983.55 0 229.118040650464 4.229315 354 Sample_11_pos.mzML 123445.55 0 245.18574102113112 4.2097106 356 Sample_11_pos.mzML 55222.75 0 200.10278438614216 4.2574863 357 Sample_11_pos.mzML 63966.484 0 268.1037589105309 4.217879 358 Sample_11_pos.mzML 32608.582 0 270.1922424181455 4.279421 359 Sample_11_pos.mzML 0.0 0 189.99075931378115 4.327314 360 Sample_11_pos.mzML 66332.734 0 134.11743645494067 4.2845025 361 Sample_11_pos.mzML 20938.56 0 242.18611577228643 4.3433714 362 Sample_11_pos.mzML 38048.316 0 304.1765208263302 4.7402077 363 Sample_11_pos.mzML 227882.73 0 172.13294299742864 4.7589955 364 Sample_11_pos.mzML 10345.101 0 189.9905913432856 4.772744 367 Sample_11_pos.mzML 332936.47 0 159.09139985691644 4.8108883 371 Sample_11_pos.mzML 1241772.9 0 120.08061352243423 4.8438725 372 Sample_11_pos.mzML 871252.56 0 167.08935800092092 4.845658 373 Sample_11_pos.mzML 885033.9 0 266.07438437754746 4.819725 375 Sample_11_pos.mzML 497734.0 0 249.0607079423268 4.8210406 378 Sample_11_pos.mzML 2403364.8 0 205.09695945152035 4.8233333 380 Sample_11_pos.mzML 1876194.2 0 188.07038343865275 4.8246927 384 Sample_11_pos.mzML 1513782.2 0 188.07038967593124 4.8265615 385 Sample_11_pos.mzML 822359.25 0 266.07438495902727 4.8215938 390 Sample_11_pos.mzML 12638581.0 0 166.08609631348253 4.846532 391 Sample_11_pos.mzML 544758.2 0 146.02679892343698 4.84755 392 Sample_11_pos.mzML 1732756.5 0 120.08061021815044 4.850492 393 Sample_11_pos.mzML 2689922.0 0 176.11331845539647 4.850525 405 Sample_11_pos.mzML 24901.066 0 124.08671779184456 4.861618 406 Sample_11_pos.mzML 295853.3 0 242.18597353886392 4.893828 414 Sample_11_pos.mzML 816747.0 0 167.0893640074416 4.8583703 415 Sample_11_pos.mzML 995602.44 0 188.070370874549 4.853523 432 Sample_11_pos.mzML 7591962.0 0 132.10181358254428 5.070786 439 Sample_11_pos.mzML 1983610.1 0 134.10843493246685 5.0749183 440 Sample_11_pos.mzML 36865660.0 0 133.10514633013727 5.075796 441 Sample_11_pos.mzML 10659141.0 0 132.10180873486888 5.0757966 442 Sample_11_pos.mzML 923449.8 0 254.16086399050823 5.076235 444 Sample_11_pos.mzML 7465848.5 0 86.09634855868607 5.0771127 460 Sample_11_pos.mzML 842321.06 0 231.1700284982437 5.157729 462 Sample_11_pos.mzML 5717207.0 0 86.09635085819752 5.0803976 464 Sample_11_pos.mzML 8071840.5 0 132.1018131478376 5.079959 465 Sample_11_pos.mzML 28045164.0 0 133.10514770247934 5.0799584 466 Sample_11_pos.mzML 1508738.1 0 134.10843686992123 5.079081 471 Sample_11_pos.mzML 908185.9 0 231.17003514728088 5.1624675 472 Sample_11_pos.mzML 238630.23 0 177.068867688938 5.0954223 476 Sample_11_pos.mzML 322176.03 0 146.02680791872297 5.2020907 482 Sample_11_pos.mzML 385760.28 0 170.06097130330835 5.208097 485 Sample_11_pos.mzML 324641.4 0 322.054438749271 5.261234 486 Sample_11_pos.mzML 779639.3 0 306.0806507387645 5.269045 487 Sample_11_pos.mzML 359179.22 0 284.09869474213104 5.2824006 490 Sample_11_pos.mzML 986558.5 0 254.1609829416835 5.2925267 498 Sample_11_pos.mzML 144136.19 0 228.1703774765928 5.428404 499 Sample_11_pos.mzML 805988.9 0 254.16093846752423 5.4288635 500 Sample_11_pos.mzML 164295.05 0 176.06557454370355 5.4312606 501 Sample_11_pos.mzML 1073812.0 0 86.09634303157317 5.453327 502 Sample_11_pos.mzML 4854076.5 0 132.10179944532445 5.452833 505 Sample_11_pos.mzML 802165.25 0 133.10515142846097 5.4484563 506 Sample_11_pos.mzML 5376509.5 0 132.10179448037488 5.4554677 507 Sample_11_pos.mzML 1271752.9 0 86.09633268244676 5.4559617 508 Sample_11_pos.mzML 85298.766 0 192.0394553458964 5.4579144 510 Sample_11_pos.mzML 805988.9 0 254.160928157678 5.431993 518 Sample_11_pos.mzML 353416.38 0 208.01345244401543 5.4915414 529 Sample_11_pos.mzML 913873.1 0 122.9244093086683 5.570595 530 Sample_11_pos.mzML 334448.7 0 458.7694151411931 5.5711894 532 Sample_11_pos.mzML 573257.7 0 206.88568577248728 5.572176 534 Sample_11_pos.mzML 362540.03 0 542.7307149004203 5.5728345 537 Sample_11_pos.mzML 1168233.0 0 290.8469756666516 5.574323 539 Sample_11_pos.mzML 333197.78 0 292.84486404160776 5.57543 546 Sample_11_pos.mzML 37233576.0 0 118.086136282161 5.6935368 547 Sample_11_pos.mzML 1990162.9 0 119.08943078666724 5.6957307 549 Sample_11_pos.mzML 501133.56 0 158.03999253356488 5.6885877 558 Sample_11_pos.mzML 41214356.0 0 118.08614084735753 5.695406 559 Sample_11_pos.mzML 6594629.5 0 156.0419594783285 5.700437 561 Sample_11_pos.mzML 326118.1 0 133.10503503876865 5.7478676 563 Sample_11_pos.mzML 2190014.8 0 119.08942925468972 5.6976 564 Sample_11_pos.mzML 2607286.0 0 235.1649571996301 5.6980495 573 Sample_11_pos.mzML 6834877.5 0 273.1208172600843 5.7226243 586 Sample_11_pos.mzML 1084201.0 0 150.0580937823089 5.736668 587 Sample_11_pos.mzML 1900018.0 0 257.14684101952525 5.737107 591 Sample_11_pos.mzML 5455246.0 0 163.05338891159045 5.738424 603 Sample_11_pos.mzML 1101826.5 0 107.0714836044441 5.7414956 604 Sample_11_pos.mzML 2323383.5 0 136.05042953346918 5.741495 606 Sample_11_pos.mzML 18766738.0 0 153.07702607515895 5.742373 609 Sample_11_pos.mzML 1272048.9 0 201.00917974363804 5.743689 617 Sample_11_pos.mzML 2763717.2 0 156.04195771190652 5.7104034 621 Sample_11_pos.mzML 2674243.5 0 273.12082086293464 5.7262015 622 Sample_11_pos.mzML 263090.78 0 132.10170818206214 5.7288346 628 Sample_11_pos.mzML 625932.44 0 133.10504212972964 5.765699 640 Sample_11_pos.mzML 509449.66 0 217.15447541961305 5.817688 659 Sample_11_pos.mzML 271070.4 0 203.13879992661973 5.825148 660 Sample_11_pos.mzML 703183.25 0 215.13885933944832 5.825148 674 Sample_11_pos.mzML 222762.05 0 138.0547721930798 5.8345313 678 Sample_11_pos.mzML 138949.48 0 227.15804343513688 5.843843 679 Sample_11_pos.mzML 1251458.6 0 226.1548276939271 5.84388 683 Sample_11_pos.mzML 2494447.0 0 118.08618244730933 5.818649 685 Sample_11_pos.mzML 165998.23 0 197.040867463821 5.8871245 686 Sample_11_pos.mzML 146736.7 0 320.17136170937744 5.910408 687 Sample_11_pos.mzML 825011.94 0 115.08651467149711 5.9351325 688 Sample_11_pos.mzML 244933.83 0 137.06841851907743 5.936834 690 Sample_11_pos.mzML 66785.57 0 265.11149031603264 5.9485784 691 Sample_11_pos.mzML 108657.766 0 228.14534892007973 6.0084243 693 Sample_11_pos.mzML 304678.28 0 226.1548933204581 6.043236 695 Sample_11_pos.mzML 599329.56 0 228.1454157073448 6.1668887 698 Sample_11_pos.mzML 2591002.5 0 118.08615791324712 6.2560725 699 Sample_11_pos.mzML 98145.125 0 132.10171546003687 6.300898 700 Sample_11_pos.mzML 351479.5 0 133.10509747646654 6.288588 701 Sample_11_pos.mzML 320177.47 0 153.07699495948592 6.2302094 708 Sample_11_pos.mzML 472281.7 0 298.02467259368444 6.2890944 710 Sample_11_pos.mzML 607350.56 0 162.0499397667938 6.361732 711 Sample_11_pos.mzML 1200409.2 0 118.08612947184405 6.2692437 713 Sample_11_pos.mzML 2293011.0 0 90.976550099308 6.411321 717 Sample_11_pos.mzML 165348.39 0 133.10506197129337 6.3418784 723 Sample_11_pos.mzML 314676.78 0 132.10170322970416 6.3238697 729 Sample_11_pos.mzML 4943581.0 0 430.9133167798752 6.445311 730 Sample_11_pos.mzML 3305438.8 0 498.9006283059093 6.4422398 733 Sample_11_pos.mzML 2611232.8 0 566.887996552571 6.4444346 742 Sample_11_pos.mzML 939352.8 0 162.049928906656 6.3924384 743 Sample_11_pos.mzML 2985398.5 0 566.8879974709893 6.465941 744 Sample_11_pos.mzML 261907.66 0 298.0246176631577 6.392486 746 Sample_11_pos.mzML 3976557.0 0 90.9765516798645 6.4571624 752 Sample_11_pos.mzML 5993797.5 0 362.925952839678 6.459356 753 Sample_11_pos.mzML 6149437.5 0 430.91332032039486 6.4764752 754 Sample_11_pos.mzML 4101966.2 0 498.9006293329196 6.464187 760 Sample_11_pos.mzML 6107404.0 0 430.9133173583412 6.47867 763 Sample_11_pos.mzML 7607956.5 0 362.9259521619515 6.46155 768 Sample_11_pos.mzML 5348139.0 0 498.9006350513378 6.4663815 772 Sample_11_pos.mzML 4132100.0 0 566.8880079908274 6.4703307 774 Sample_11_pos.mzML 35039020.0 0 226.95130605314407 6.4734025 776 Sample_11_pos.mzML 5077777.5 0 158.96391743043827 6.475264 777 Sample_11_pos.mzML 5052654.5 0 90.97655184812557 6.4699974 783 Sample_11_pos.mzML 7921099.0 0 430.913321997725 6.485361 797 Sample_11_pos.mzML 2576675.0 0 498.9006368424921 6.481851 798 Sample_11_pos.mzML 1991649.1 0 566.8880087807638 6.490188 801 Sample_11_pos.mzML 1265527.6 0 116.07045588148864 6.535134 806 Sample_11_pos.mzML 1851200.8 0 90.97654696859416 6.497805 807 Sample_11_pos.mzML 267211.78 0 133.1050813977587 6.57356 820 Sample_11_pos.mzML 73132.086 0 258.15586908713766 6.8444924 821 Sample_11_pos.mzML 98029.97 0 301.96555337204217 6.8449597 822 Sample_11_pos.mzML 362660.56 0 214.12973993847905 6.8736024 826 Sample_11_pos.mzML 245206.47 0 376.979765282261 6.890302 833 Sample_11_pos.mzML 241347.86 0 308.9923908286443 6.898309 835 Sample_11_pos.mzML 91748.75 0 173.09190815945408 6.8987 836 Sample_11_pos.mzML 1129498.8 0 165.99085411729348 6.9019084 837 Sample_11_pos.mzML 124257.47 0 451.9939689509807 6.901796 842 Sample_11_pos.mzML 572799.9 0 122.02695576262852 6.907451 845 Sample_11_pos.mzML 39006.902 0 241.0309804045192 6.929818 848 Sample_11_pos.mzML 177932.88 0 118.08612324531742 6.906456 850 Sample_11_pos.mzML 557180.9 0 122.02695713603926 6.910003 853 Sample_11_pos.mzML 103626.91 0 208.1806931005108 6.967325 857 Sample_11_pos.mzML 228026.98 0 226.95139637449867 7.056883 858 Sample_11_pos.mzML 211413.73 0 258.156014085099 7.159303 859 Sample_11_pos.mzML 52234.652 0 104.07052981519426 7.1661315 860 Sample_11_pos.mzML 125902.234 0 226.9514186720039 7.1463103 861 Sample_11_pos.mzML 20957.445 0 245.9476010251665 7.220245 862 Sample_11_pos.mzML 18818.424 0 201.9837410781343 7.2195973 863 Sample_11_pos.mzML 13238.639 0 267.92949707305337 7.2172837 864 Sample_11_pos.mzML 92203.38 0 90.05496978874557 7.6612244 865 Sample_11_pos.mzML 38111.047 0 244.140503738826 7.6647267 866 Sample_11_pos.mzML 14326.4375 0 230.14997669311865 7.6839995 867 Sample_11_pos.mzML 27323.154 0 134.01883779940704 7.6638207 868 Sample_11_pos.mzML 13794.754 0 328.0301594961641 7.9222236 869 Sample_11_pos.mzML 31527.1 0 306.048316086854 7.914533 870 Sample_11_pos.mzML 45141.28 0 285.1667082325685 7.933275 871 Sample_11_pos.mzML 33993.438 0 387.2709948049544 7.9394317 872 Sample_11_pos.mzML 53193.457 0 187.10747655608205 7.93947 877 Sample_11_pos.mzML 140826.77 0 197.0894356361632 7.961445 879 Sample_11_pos.mzML 564985.75 0 269.16060472372754 7.962421 880 Sample_11_pos.mzML 181531.7 0 346.05434588118914 7.9639306 881 Sample_11_pos.mzML 165059.25 0 271.1510202898235 7.9642925 890 Sample_11_pos.mzML 142663.47 0 129.06566925010313 7.9716926 891 Sample_11_pos.mzML 1003265.5 0 120.06545039741656 7.972265 894 Sample_11_pos.mzML 355295.2 0 164.02922326766455 7.9790225 895 Sample_11_pos.mzML 100364.555 0 133.10507612878197 7.9839897 896 Sample_11_pos.mzML 175289.48 0 153.07696300828565 7.981729 899 Sample_11_pos.mzML 142663.47 0 129.06566954676447 7.973686 901 Sample_11_pos.mzML 755996.7 0 233.10652019611663 7.9997315 904 Sample_11_pos.mzML 201088.69 0 217.12933749214804 8.017409 909 Sample_11_pos.mzML 31611.69 0 205.11810687589983 8.066115 910 Sample_11_pos.mzML 71007.37 0 176.09158435507644 8.110695 911 Sample_11_pos.mzML 67120.96 0 120.06538793621888 8.095319 912 Sample_11_pos.mzML 196252.27 0 216.13414402314515 8.137809 913 Sample_11_pos.mzML 56633.938 0 254.110947332547 8.13853 918 Sample_11_pos.mzML 42237.53 0 142.09734305994664 8.155034 919 Sample_11_pos.mzML 52941.24 0 247.12867941295664 8.191632 920 Sample_11_pos.mzML 56113.344 0 203.11372007085788 8.203923 921 Sample_11_pos.mzML 31891.504 0 246.1446736791892 8.23056 922 Sample_11_pos.mzML 107762.62 0 261.1443564364716 8.234616 923 Sample_11_pos.mzML 24365.018 0 283.12626085214976 8.235302 924 Sample_11_pos.mzML 103248.766 0 269.16066025719937 8.241423 925 Sample_11_pos.mzML 14771.734 0 226.9513300667016 8.252555 926 Sample_11_pos.mzML 7517.835 0 118.0861033091863 8.375219 927 Sample_11_pos.mzML 0.0 0 244.0942511712273 8.360445 928 Sample_11_pos.mzML 18214.75 0 201.1788423536045 8.363343 929 Sample_11_pos.mzML 246635.77 0 200.1756825779179 8.360786 930 Sample_11_pos.mzML 30162.732 0 226.9513188023629 8.36787 931 Sample_11_pos.mzML 14475.675 0 217.1181167414713 8.373118 932 Sample_11_pos.mzML 31441.023 0 265.12695885890884 8.393177 933 Sample_11_pos.mzML 23362.486 0 365.105201429741 8.39588 934 Sample_11_pos.mzML 9782.061 0 157.16978702908858 8.416748 935 Sample_11_pos.mzML 12147.091 0 205.11817679551444 8.449443 936 Sample_11_pos.mzML 46973.707 0 166.0531984049978 8.511632 937 Sample_11_pos.mzML 0.0 0 210.01689084731828 8.517229 938 Sample_11_pos.mzML 55004.05 0 574.1288443930529 8.598261 939 Sample_11_pos.mzML 95772.336 0 188.03499184859004 8.604352 940 Sample_11_pos.mzML 32324.186 0 166.05302736240878 8.598813 941 Sample_11_pos.mzML 0.0 0 147.07628217729822 8.606629 942 Sample_11_pos.mzML 0.0 0 169.0581892689462 8.606629 944 Sample_11_pos.mzML 108059.164 0 175.10751430696803 8.61571 945 Sample_11_pos.mzML 147768.83 0 258.14458594133026 8.616849 949 Sample_11_pos.mzML 561718.0 0 106.0497993519311 8.619147 951 Sample_11_pos.mzML 60738.15 0 227.09996497608665 8.619727 953 Sample_11_pos.mzML 85047.78 0 365.1050858603464 8.622464 954 Sample_11_pos.mzML 76143.58 0 277.03801398466214 8.624969 957 Sample_11_pos.mzML 404007.53 0 230.1133787668119 8.627342 958 Sample_11_pos.mzML 112437.73 0 150.01357254868546 8.627431 964 Sample_11_pos.mzML 125943.34 0 268.12651808851587 8.64582 965 Sample_11_pos.mzML 70567.96 0 246.14460651871127 8.647682 966 Sample_11_pos.mzML 35221.32 0 118.0860713755489 8.666564 970 Sample_11_pos.mzML 105375.42 0 331.0597083994683 8.728163 971 Sample_11_pos.mzML 312601.7 0 177.02446857919654 8.73112 974 Sample_11_pos.mzML 429326.22 0 155.04258957375788 8.740393 975 Sample_11_pos.mzML 379792.3 0 230.1133464625389 8.74039 979 Sample_11_pos.mzML 833900.25 0 133.0606595880094 8.745018 980 Sample_11_pos.mzML 171788.28 0 286.15069933735964 8.763644 982 Sample_11_pos.mzML 196928.28 0 247.12860338588263 8.766978 988 Sample_11_pos.mzML 92969.53 0 361.1977693027184 8.791953 994 Sample_11_pos.mzML 690156.75 0 296.0656615542094 8.852614 995 Sample_11_pos.mzML 2677528.2 0 280.0918526920189 8.8539295 998 Sample_11_pos.mzML 982790.44 0 537.1943231163153 8.85701 999 Sample_11_pos.mzML 802122.2 0 259.11326523868405 8.8587675 1003 Sample_11_pos.mzML 9389313.0 0 258.1099364516471 8.860084 1009 Sample_11_pos.mzML 298183.44 0 153.07693685054173 8.865781 1016 Sample_11_pos.mzML 287301.5 0 322.1869685406384 8.8856325 1019 Sample_11_pos.mzML 333331.22 0 348.0696595688975 8.905177 1020 Sample_11_pos.mzML 156901.06 0 156.14936280240056 8.929667 1023 Sample_11_pos.mzML 200377.69 0 255.14499651185736 8.961529 1026 Sample_11_pos.mzML 128110.11 0 198.0847628014792 8.995751 1027 Sample_11_pos.mzML 71081.02 0 176.1027959719887 8.99959 1029 Sample_11_pos.mzML 868378.9 0 288.2028931457914 9.03741 1030 Sample_11_pos.mzML 103579.516 0 289.2065919245926 9.038054 1031 Sample_11_pos.mzML 85338.336 0 168.076587656824 9.039931 1033 Sample_11_pos.mzML 153269.81 0 229.12936404392448 9.058728 1034 Sample_11_pos.mzML 73121.44 0 251.11128458048435 9.060653 1036 Sample_11_pos.mzML 147224.25 0 294.18102755142905 9.065932 1039 Sample_11_pos.mzML 42809.426 0 258.1447309396798 9.109013 1040 Sample_11_pos.mzML 15595.205 0 365.1052316626935 9.099115 1043 Sample_11_pos.mzML 23658.22 0 258.14458259952363 9.161549 1045 Sample_11_pos.mzML 100635.79 0 216.0629531114795 9.191652 1048 Sample_11_pos.mzML 76989.94 0 238.04483266653563 9.194025 1051 Sample_11_pos.mzML 270382.28 0 269.1604872451791 9.198629 1053 Sample_11_pos.mzML 1951648.0 0 260.19665861930304 9.201791 1054 Sample_11_pos.mzML 243896.38 0 261.20006499413546 9.202691 1067 Sample_11_pos.mzML 305628.3 0 149.06356867672196 9.225198 1069 Sample_11_pos.mzML 811593.3 0 130.04972503456412 9.2256365 1071 Sample_11_pos.mzML 5687026.0 0 148.06031941955982 9.226085 1079 Sample_11_pos.mzML 2288213.5 0 288.2028125859761 9.241891 1085 Sample_11_pos.mzML 234333.84 0 221.112942320711 9.250683 1096 Sample_11_pos.mzML 238638.75 0 366.10847337323975 9.300052 1099 Sample_11_pos.mzML 1871985.8 0 365.1051586729516 9.302187 1100 Sample_11_pos.mzML 50851.676 0 118.08606206806408 9.277427 1102 Sample_11_pos.mzML 154200.53 0 360.149656817636 9.311521 1107 Sample_11_pos.mzML 164105.0 0 359.26492669564453 9.318966 1111 Sample_11_pos.mzML 863270.2 0 260.1967063364553 9.344571 1112 Sample_11_pos.mzML 104295.44 0 261.2001203040639 9.346213 1113 Sample_11_pos.mzML 64973.383 0 433.0925277310742 9.346755 1118 Sample_11_pos.mzML 133475.55 0 345.22421788168214 9.386636 1121 Sample_11_pos.mzML 494939.5 0 203.1501620783906 9.454228 1122 Sample_11_pos.mzML 85894.75 0 188.1755993548724 9.460129 1124 Sample_11_pos.mzML 144902.23 0 294.16712720772256 9.486702 1125 Sample_11_pos.mzML 64789.953 0 335.0339660433254 9.493368 1126 Sample_11_pos.mzML 133325.8 0 313.0520546222224 9.502534 1127 Sample_11_pos.mzML 91735.67 0 289.206630553843 9.5099125 1128 Sample_11_pos.mzML 764307.94 0 288.2029258528593 9.509217 1131 Sample_11_pos.mzML 158529.7 0 218.18619761371053 9.525903 1132 Sample_11_pos.mzML 73514.43 0 306.06162796412696 9.547405 1133 Sample_11_pos.mzML 95892.66 0 188.17558642399584 9.518045 1134 Sample_11_pos.mzML 70963.93 0 260.1967002040386 9.570424 1135 Sample_11_pos.mzML 22293.262 0 306.1592562972893 9.571097 1136 Sample_11_pos.mzML 575140.7 0 284.0796833657358 9.646189 1137 Sample_11_pos.mzML 70048.945 0 324.0588200527568 9.649519 1138 Sample_11_pos.mzML 84057.516 0 219.09737415252712 9.655475 1139 Sample_11_pos.mzML 141306.64 0 148.0602834766663 9.6562 1141 Sample_11_pos.mzML 95678.22 0 154.01670024274702 9.662093 1143 Sample_11_pos.mzML 50436.97 0 195.04322321426469 9.665049 1144 Sample_11_pos.mzML 253586.19 0 290.1344649431372 9.675607 1145 Sample_11_pos.mzML 200267.44 0 283.04150739594115 9.690609 1149 Sample_11_pos.mzML 109940.1 0 207.0973923543056 9.729797 1150 Sample_11_pos.mzML 115407.13 0 308.09087390128616 9.73265 1151 Sample_11_pos.mzML 43565.957 0 613.1510753489329 9.735156 1155 Sample_11_pos.mzML 45438.562 0 317.2180748441611 9.774086 1157 Sample_11_pos.mzML 328111.5 0 260.1966837829511 9.806193 1159 Sample_11_pos.mzML 84092.07 0 345.2493190320606 9.83373 1163 Sample_11_pos.mzML 137194.52 0 282.1180701017672 9.848723 1164 Sample_11_pos.mzML 194542.03 0 219.0973471625064 9.852621 1165 Sample_11_pos.mzML 148276.86 0 248.12386819185812 9.854269 1167 Sample_11_pos.mzML 292801.34 0 262.90666776551785 9.858233 1168 Sample_11_pos.mzML 158490.03 0 284.0795670488393 9.863204 1171 Sample_11_pos.mzML 1092704.9 0 134.04468296663256 9.863805 1172 Sample_11_pos.mzML 189042.48 0 142.94789363209495 9.862807 1174 Sample_11_pos.mzML 166137.75 0 249.107884486856 9.871725 1175 Sample_11_pos.mzML 798965.56 0 274.18716937581314 9.873346 1181 Sample_11_pos.mzML 201857.03 0 338.1819343706756 9.884996 1185 Sample_11_pos.mzML 189063.67 0 175.14390259797082 9.938897 1187 Sample_11_pos.mzML 6352617.0 0 156.07665515382126 9.965302 1188 Sample_11_pos.mzML 177856.5 0 178.05845818353518 9.965835 1189 Sample_11_pos.mzML 353898.97 0 110.07110800895867 9.96585 1192 Sample_11_pos.mzML 417174.34 0 157.07990648632463 9.970797 1195 Sample_11_pos.mzML 304731.47 0 246.1809879902873 9.996257 1201 Sample_11_pos.mzML 93920.08 0 299.0363071280015 10.030114 1205 Sample_11_pos.mzML 148560.16 0 310.17584025335856 10.059572 1206 Sample_11_pos.mzML 101532.0 0 190.1628070441479 10.089722 1207 Sample_11_pos.mzML 1173061.5 0 189.15962556992508 10.091929 1208 Sample_11_pos.mzML 128843.65 0 275.1908113067463 10.101804 1209 Sample_11_pos.mzML 1218334.5 0 274.18718518067203 10.102931 1211 Sample_11_pos.mzML 550149.6 0 364.0649234803579 10.105504 1216 Sample_11_pos.mzML 537635.25 0 227.11370840600603 10.148948 1219 Sample_11_pos.mzML 94290.81 0 195.0254494451458 10.179174 1220 Sample_11_pos.mzML 708341.9 0 323.0839267608916 10.180491 1224 Sample_11_pos.mzML 209926.17 0 237.05378657328663 10.185353 1229 Sample_11_pos.mzML 117271.94 0 259.12865594655494 10.204153 1234 Sample_11_pos.mzML 38910.23 0 235.09230901827425 10.252195 1239 Sample_11_pos.mzML 163164.88 0 472.2874612980231 10.308299 1242 Sample_11_pos.mzML 16949034.0 0 175.11882033505466 10.356683 1243 Sample_11_pos.mzML 547104.06 0 349.23023603947246 10.357158 1244 Sample_11_pos.mzML 197779.89 0 371.2121607007718 10.357639 1246 Sample_11_pos.mzML 1092284.0 0 176.12211343714353 10.358672 1249 Sample_11_pos.mzML 325189.9 0 197.1006803958095 10.360531 1251 Sample_11_pos.mzML 298806.62 0 130.09729229124068 10.370269 1252 Sample_11_pos.mzML 431777.22 0 246.18095223184145 10.376628 1254 Sample_11_pos.mzML 30362.943 0 364.0649180883176 10.324018 1256 Sample_11_pos.mzML 71732.164 0 272.1714484795354 10.424933 1258 Sample_11_pos.mzML 194063.02 0 257.1242348570159 10.465497 1259 Sample_11_pos.mzML 130118.73 0 285.2030842021909 10.469291 1260 Sample_11_pos.mzML 121193.195 0 156.0765780966775 10.469985 1261 Sample_11_pos.mzML 205443.8 0 442.74712460313145 10.470643 1263 Sample_11_pos.mzML 99909.25 0 347.228682719869 10.512813 1264 Sample_11_pos.mzML 103766.914 0 303.20249423925924 10.522915 1266 Sample_11_pos.mzML 155306.88 0 213.09809375538885 10.5390005 1267 Sample_11_pos.mzML 38980.55 0 589.1399646335841 10.551182 1271 Sample_11_pos.mzML 103174.27 0 156.07656270160743 10.643449 1272 Sample_11_pos.mzML 1165653.6 0 175.11883104950437 10.63616 1276 Sample_11_pos.mzML 428075.94 0 148.11599366591082 10.651277 1278 Sample_11_pos.mzML 168760.44 0 191.07647587262292 10.651727 1279 Sample_11_pos.mzML 1232282.5 0 130.0861855729082 10.652225 1280 Sample_11_pos.mzML 221217.23 0 84.08064494962149 10.652238 1281 Sample_11_pos.mzML 6709275.5 0 147.1127199612054 10.652242 1283 Sample_11_pos.mzML 140696.67 0 169.09453102570544 10.654132 1289 Sample_11_pos.mzML 163090.81 0 244.16534762312872 10.664137 1290 Sample_11_pos.mzML 73596.66 0 257.1969723050618 10.6713915 1293 Sample_11_pos.mzML 818030.3 0 133.09706985780863 10.722098 1295 Sample_11_pos.mzML 391217.34 0 116.07050095631276 10.722583 1296 Sample_11_pos.mzML 85357.51 0 489.2762008111585 10.794624 1298 Sample_11_pos.mzML 35126.547 0 175.11881153058343 10.751388 1310 Sample_11_pos.mzML 967562.06 0 304.03932259922425 10.842536 1317 Sample_11_pos.mzML 2450776.0 0 283.06144442783113 10.857608 1318 Sample_11_pos.mzML 1292495.5 0 563.1074885117305 10.858048 1320 Sample_11_pos.mzML 30608884.0 0 282.05750541230793 10.858509 1321 Sample_11_pos.mzML 2626366.2 0 284.0531507149704 10.858556 1324 Sample_11_pos.mzML 620150.8 0 163.05334706421047 10.861239 1330 Sample_11_pos.mzML 999670.7 0 237.0359682970429 10.877342 1334 Sample_11_pos.mzML 144689.39 0 175.1187171353388 10.861039 1336 Sample_11_pos.mzML 53578.094 0 241.03078940211464 10.946838 1342 Sample_11_pos.mzML 1604372.8 0 246.1559001157775 10.92701 1345 Sample_11_pos.mzML 151143.56 0 247.15931781669644 10.927976 1346 Sample_11_pos.mzML 156437.36 0 243.1085915333856 10.930374 1348 Sample_11_pos.mzML 575786.4 0 163.0534682624983 10.963395 1349 Sample_11_pos.mzML 61036.4 0 241.0308201955841 10.969333 1350 Sample_11_pos.mzML 41433.48 0 158.91554905353604 10.985007 1352 Sample_11_pos.mzML 39262.84 0 284.0795279906775 11.007104 1353 Sample_11_pos.mzML 51825.664 0 285.1191553590796 11.007634 1354 Sample_11_pos.mzML 106486.055 0 218.14977569757968 11.019916 1355 Sample_11_pos.mzML 967207.7 0 276.1666669024399 11.127444 1356 Sample_11_pos.mzML 90139.47 0 277.17032556111366 11.130445 1360 Sample_11_pos.mzML 48595.93 0 270.11951370352017 11.143098 1361 Sample_11_pos.mzML 36420.5 0 477.7683038765202 11.143561 1362 Sample_11_pos.mzML 492108.97 0 218.149918302188 11.197883 1364 Sample_11_pos.mzML 83340.83 0 175.11883005279304 11.212697 1365 Sample_11_pos.mzML 151492.62 0 248.16044847300984 11.214851 1366 Sample_11_pos.mzML 198139.92 0 241.03097143373472 11.219297 1367 Sample_11_pos.mzML 544689.3 0 232.14043462663736 11.221642 1369 Sample_11_pos.mzML 138630.17 0 282.057543479596 11.168553 1370 Sample_11_pos.mzML 81782.82 0 313.18703563912146 11.3278265 1371 Sample_11_pos.mzML 16800.143 0 248.1605684094749 11.336497 1374 Sample_11_pos.mzML 370262.1 0 277.1390483125494 11.51134 1376 Sample_11_pos.mzML 17980.238 0 278.1423901329732 11.513539 1377 Sample_11_pos.mzML 240419.55 0 282.057449726996 11.514416 1378 Sample_11_pos.mzML 537667.1 0 304.16126122413266 11.517955 1388 Sample_11_pos.mzML 1003273.7 0 262.1506913923568 11.531592 1389 Sample_11_pos.mzML 602783.7 0 204.13402659101504 11.532012 1407 Sample_11_pos.mzML 1119339.2 0 276.1550226035785 11.559689 1409 Sample_11_pos.mzML 81415410.0 0 241.03094338850485 11.5610075 1415 Sample_11_pos.mzML 7150621.0 0 243.02678201103345 11.562327 1426 Sample_11_pos.mzML 544835.06 0 303.1772234383022 11.568047 1437 Sample_11_pos.mzML 1115217.8 0 251.166119732511 11.585159 1457 Sample_11_pos.mzML 956215.56 0 275.1710225348117 11.613685 1466 Sample_11_pos.mzML 1791147.8 0 263.0128023889946 11.642216 1469 Sample_11_pos.mzML 293879.6 0 278.98660980913854 11.648937 1471 Sample_11_pos.mzML 329759.72 0 396.2363286809719 11.677346 1473 Sample_11_pos.mzML 1400073.6 0 234.1446648417694 11.690246 1485 Sample_11_pos.mzML 836048.1 0 261.15555602427605 11.726382 1487 Sample_11_pos.mzML 387840.5 0 289.1616430518823 11.733912 1488 Sample_11_pos.mzML 35360.348 0 182.9849459620996 11.736179 1492 Sample_11_pos.mzML 97619.24 0 304.02686844036094 11.8071165 1499 Sample_11_pos.mzML 212091.22 0 151.03510544906462 11.850545 1503 Sample_11_pos.mzML 61870.68 0 278.9867347050311 11.727371 1509 Sample_11_pos.mzML 47098.97 0 304.0269243781329 11.844499 1510 Sample_11_pos.mzML 259312.95 0 151.03514920449794 11.8673315 1515 Sample_11_pos.mzML 0.0 0 376.2189013075872 11.939273 1521 Sample_11_pos.mzML 0.0 0 473.3444755147893 12.102442 1522 Sample_11_pos.mzML 0.0 0 298.05247964856613 12.136988 1523 Sample_11_pos.mzML 41175.863 0 173.13408485930873 12.497563 1524 Sample_11_pos.mzML 37741.87 0 427.0952727376404 12.633031 1525 Sample_11_pos.mzML 3449.811 0 182.98494465025965 12.898163 1527 Sample_11_pos.mzML 2604201.2 0 167.01271717741983 12.917134 1528 Sample_11_pos.mzML 707784.5 0 255.94395639690367 12.917243 1530 Sample_11_pos.mzML 281068.2 0 385.9017133531906 12.921013 1531 Sample_11_pos.mzML 413874.6 0 143.99665492800966 12.922867 1533 Sample_11_pos.mzML 1709049.9 0 125.98620278672723 12.925508 1536 Sample_11_pos.mzML 321426.94 0 282.9047940378916 12.953278 1539 Sample_11_pos.mzML 61066.81 0 491.7875226546853 13.435786 1540 Sample_11_pos.mzML 72880.61 0 167.01272908201915 14.068723 1541 Sample_11_pos.mzML 0.0 0 241.03094812769385 14.083734 1542 Sample_11_pos.mzML 0.0 0 125.9861272213276 14.077281 1543 Sample_11_pos.mzML 0.0 0 241.03092328785684 14.2579565 1544 Sample_11_pos.mzML 78955.92 0 125.98610652607104 14.2632475 1545 Sample_11_pos.mzML 454237.3 0 125.9860987016528 14.282119 1546 Sample_11_pos.mzML 953960.4 0 167.01266837053672 14.29509 1547 Sample_11_pos.mzML 1750.322 0 241.03092878208284 14.737781 1548 Sample_11_pos.mzML 1897.7638 0 241.03095848676367 15.381517 1549 Sample_11_pos.mzML 0.0 0 241.03092431621664 15.560758 1550 Sample_11_pos.mzML 79957.86 0 125.98607678073093 19.125986 1551 Sample_11_pos.mzML 368910.84 0 125.986068468798 19.237349 1 Sample_12_pos.mzML 57226.977 0 124.08669564836464 0.884114 2 Sample_12_pos.mzML 31573.645 0 709.5135709142155 0.9277029 3 Sample_12_pos.mzML 71124.27 0 708.5102830575064 0.92855316 4 Sample_12_pos.mzML 38543.3 0 680.4788218943072 0.94213986 5 Sample_12_pos.mzML 42656.492 0 663.4525341847894 0.94251555 8 Sample_12_pos.mzML 8689.508 0 124.0866635483428 0.9758523 13 Sample_12_pos.mzML 197846.11 0 338.3410184191165 0.94918865 14 Sample_12_pos.mzML 198267.61 0 228.19530207513023 0.9487448 15 Sample_12_pos.mzML 187895.39 0 431.3836089366016 0.94785005 16 Sample_12_pos.mzML 71786.1 0 171.14883588649835 0.96850353 18 Sample_12_pos.mzML 247294.33 0 392.253772671759 0.95138794 19 Sample_12_pos.mzML 1583.8116 0 144.98179283118262 0.9658699 24 Sample_12_pos.mzML 3758384.2 0 394.2890043118055 0.9663088 25 Sample_12_pos.mzML 16520493.0 0 393.2855729410101 0.9663088 27 Sample_12_pos.mzML 1003926.7 0 377.2624336443359 0.96850294 34 Sample_12_pos.mzML 4346318.5 0 376.2589851838652 0.9727521 38 Sample_12_pos.mzML 1913432.6 0 421.31661595485554 0.9779623 39 Sample_12_pos.mzML 221940.52 0 88.07551193113026 0.97947496 53 Sample_12_pos.mzML 89759.33 0 124.08666138918748 0.993165 56 Sample_12_pos.mzML 953386.3 0 377.2624197988114 0.9718469 59 Sample_12_pos.mzML 292937.75 0 432.2372666227246 1.0112926 62 Sample_12_pos.mzML 1718218.8 0 421.3166253437647 0.97587925 63 Sample_12_pos.mzML 167594.23 0 387.179513993051 1.0174752 64 Sample_12_pos.mzML 181082.1 0 404.206042018552 1.0174752 66 Sample_12_pos.mzML 49054.406 0 88.07550968410891 0.9884599 67 Sample_12_pos.mzML 3533270.0 0 394.2889108048021 0.9842202 68 Sample_12_pos.mzML 56463.01 0 351.23847785630625 1.0211498 70 Sample_12_pos.mzML 15466023.0 0 393.2854598750544 0.9889083 73 Sample_12_pos.mzML 3902423.0 0 376.25890207776246 0.99538916 74 Sample_12_pos.mzML 1691.541 0 288.2529471652366 1.0429213 75 Sample_12_pos.mzML 15556.494 0 331.0807619477385 1.0405952 77 Sample_12_pos.mzML 67251.67 0 326.3776187676901 1.0575842 78 Sample_12_pos.mzML 48490.105 0 171.14889188727136 1.0486741 79 Sample_12_pos.mzML 12206.758 0 327.3810916038047 1.0591878 80 Sample_12_pos.mzML 19057.283 0 163.13257303241096 1.0823013 81 Sample_12_pos.mzML 1006525.7 0 393.2854036509345 1.0183046 83 Sample_12_pos.mzML 188625.73 0 244.1904237605233 1.0973613 84 Sample_12_pos.mzML 201699.14 0 226.1798566023925 1.0981086 85 Sample_12_pos.mzML 96741.33 0 266.17230843797444 1.0986773 86 Sample_12_pos.mzML 24116.559 0 227.1831032067456 1.0987782 87 Sample_12_pos.mzML 35215.727 0 304.29949433328 1.1027321 88 Sample_12_pos.mzML 3776.6125 0 305.30293167052633 1.1067916 92 Sample_12_pos.mzML 27546.16 0 251.18498943129944 1.1416863 93 Sample_12_pos.mzML 56316.38 0 124.08670965523844 1.1556855 94 Sample_12_pos.mzML 18021.447 0 216.0559227001227 1.1569017 95 Sample_12_pos.mzML 2913430.5 0 214.04970061718825 1.1580465 97 Sample_12_pos.mzML 365121.16 0 215.0529211514825 1.1586148 98 Sample_12_pos.mzML 43412.17 0 212.14716102940864 1.1687001 99 Sample_12_pos.mzML 196825.36 0 258.2788169776792 1.167492 100 Sample_12_pos.mzML 121868.945 0 88.07553334535379 1.1669827 101 Sample_12_pos.mzML 37495.008 0 180.10163704706503 1.1693052 102 Sample_12_pos.mzML 31307.352 0 259.28220830541363 1.1698533 103 Sample_12_pos.mzML 396896.16 0 211.143882330612 1.1725975 104 Sample_12_pos.mzML 39800.1 0 367.2087928080393 1.1786896 106 Sample_12_pos.mzML 15975.387 0 164.07039862833477 1.1870936 107 Sample_12_pos.mzML 18265.1 0 245.1281492380409 1.1915327 108 Sample_12_pos.mzML 21323.457 0 284.13905400436323 1.1924504 110 Sample_12_pos.mzML 475698.75 0 230.2476229409027 1.208052 111 Sample_12_pos.mzML 69616.11 0 231.2509189682441 1.2119467 113 Sample_12_pos.mzML 29516.506 0 245.1282150522416 1.2145875 114 Sample_12_pos.mzML 46084.773 0 197.1282601988709 1.232969 115 Sample_12_pos.mzML 7966.6553 0 200.23706200725795 1.2285993 116 Sample_12_pos.mzML 9719.207 0 402.3573877818645 1.2316772 117 Sample_12_pos.mzML 10883.636 0 144.04758008856655 1.2390124 119 Sample_12_pos.mzML 21323.457 0 284.1390667992057 1.1856359 120 Sample_12_pos.mzML 57153.855 0 110.05986025284652 1.3090072 121 Sample_12_pos.mzML 42427.848 0 156.10173858023458 1.2697691 122 Sample_12_pos.mzML 25209.959 0 590.2061363974616 1.27046 123 Sample_12_pos.mzML 5782.9673 0 138.09113936072484 1.286875 124 Sample_12_pos.mzML 116672.49 0 96.0442997411288 1.286875 125 Sample_12_pos.mzML 36538.2 0 162.06601688304164 1.2898526 127 Sample_12_pos.mzML 7680.1226 0 170.11734099333302 1.2949688 128 Sample_12_pos.mzML 5388.721 0 210.1097480469689 1.3193958 129 Sample_12_pos.mzML 0.0 0 146.98014902199242 1.2979198 130 Sample_12_pos.mzML 39445.2 0 197.12825593496416 1.2959038 131 Sample_12_pos.mzML 1580.0544 0 144.98196187706563 1.3213226 135 Sample_12_pos.mzML 33530.82 0 169.07576992147565 1.3398076 137 Sample_12_pos.mzML 186019.72 0 246.1519543589688 1.3437899 138 Sample_12_pos.mzML 33703.953 0 195.11265710236808 1.3443106 140 Sample_12_pos.mzML 30335.441 0 154.0860441472675 1.3451465 142 Sample_12_pos.mzML 65706.72 0 110.0598549901638 1.3488079 148 Sample_12_pos.mzML 62729.977 0 243.14891618061824 1.3506924 151 Sample_12_pos.mzML 154140.4 0 126.05477443803215 1.3522042 152 Sample_12_pos.mzML 116780.8 0 100.07552017645202 1.3522406 156 Sample_12_pos.mzML 104711.71 0 283.12204191444454 1.3535328 166 Sample_12_pos.mzML 0.0 0 298.0965493713124 1.3567747 167 Sample_12_pos.mzML 145811.08 0 227.17513409439653 1.3601131 170 Sample_12_pos.mzML 114507.7 0 239.1486489095845 1.3637681 171 Sample_12_pos.mzML 111304.74 0 332.20810646332137 1.3653196 173 Sample_12_pos.mzML 683522.8 0 331.2046411437328 1.3668481 175 Sample_12_pos.mzML 113963.37 0 353.18635058440617 1.3700385 177 Sample_12_pos.mzML 81323.14 0 124.08674078601246 1.378172 178 Sample_12_pos.mzML 872824.1 0 123.05520806435112 1.3835589 181 Sample_12_pos.mzML 88220.95 0 224.07373638627203 1.3882531 182 Sample_12_pos.mzML 149893.8 0 195.1224565621741 1.3905834 184 Sample_12_pos.mzML 8288.139 0 210.1097363228984 1.3884922 187 Sample_12_pos.mzML 104711.71 0 283.1220435150896 1.3583255 190 Sample_12_pos.mzML 21910.4 0 195.11287983767883 1.3899492 191 Sample_12_pos.mzML 38061.74 0 249.13438273444345 1.4200606 192 Sample_12_pos.mzML 0.0 0 105.06971063859694 1.4354923 193 Sample_12_pos.mzML 14624.383 0 393.28554314722027 1.3910813 195 Sample_12_pos.mzML 69712.92 0 124.08674995537856 1.3871161 196 Sample_12_pos.mzML 14495.381 0 393.28567548041735 1.4236475 197 Sample_12_pos.mzML 17925.04 0 151.09631717250656 1.4888855 198 Sample_12_pos.mzML 13213.544 0 348.14383698933153 1.4761354 199 Sample_12_pos.mzML 22389.768 0 375.0811540275393 1.489473 201 Sample_12_pos.mzML 1629.6812 0 353.0992471828444 1.4867625 202 Sample_12_pos.mzML 31854.824 0 337.03648815326005 1.5395262 203 Sample_12_pos.mzML 50522.7 0 321.06256590229526 1.5395222 204 Sample_12_pos.mzML 0.0 0 298.0966397086858 1.6940964 205 Sample_12_pos.mzML 210873.89 0 190.08951118437503 1.7135324 206 Sample_12_pos.mzML 1754.4418 0 144.98195244122175 1.9972055 207 Sample_12_pos.mzML 104638.55 0 190.0894178152409 1.9916908 208 Sample_12_pos.mzML 17304.777 0 146.08097871921322 1.9896737 209 Sample_12_pos.mzML 274789.8 0 267.1449176772506 1.9950703 210 Sample_12_pos.mzML 96183.766 0 152.07041948711262 2.0314512 211 Sample_12_pos.mzML 2127553.0 0 170.08106776554337 2.0327005 212 Sample_12_pos.mzML 163393.83 0 171.08430196994564 2.037283 213 Sample_12_pos.mzML 68163.1 0 331.2046255896961 2.049584 214 Sample_12_pos.mzML 33170.574 0 212.10276003144267 2.2255604 215 Sample_12_pos.mzML 300169.16 0 176.07386576343754 2.2393477 216 Sample_12_pos.mzML 0.0 0 395.1961437435049 2.25555 217 Sample_12_pos.mzML 21275.164 0 171.07623002808543 2.4603689 218 Sample_12_pos.mzML 0.0 0 136.06166758377617 2.4618294 219 Sample_12_pos.mzML 42763.926 0 162.99758522735817 2.464494 220 Sample_12_pos.mzML 50498.062 0 176.07378886026444 2.466533 221 Sample_12_pos.mzML 83724.914 0 212.1027452521681 2.4712422 222 Sample_12_pos.mzML 53381.082 0 234.0846850483877 2.4712543 224 Sample_12_pos.mzML 91653.016 0 251.1500001009124 2.490054 225 Sample_12_pos.mzML 126062.83 0 170.08096549677393 2.497286 227 Sample_12_pos.mzML 130098.49 0 242.09971739527816 2.5311325 228 Sample_12_pos.mzML 322876.78 0 220.11781080236509 2.5324228 229 Sample_12_pos.mzML 25494.746 0 221.1210520053073 2.5324228 231 Sample_12_pos.mzML 406722.47 0 137.04566565562763 2.61302 232 Sample_12_pos.mzML 199318.25 0 167.09253949646646 2.6150174 233 Sample_12_pos.mzML 352178.75 0 159.02756167849526 2.6262987 234 Sample_12_pos.mzML 182000.14 0 175.00145180579432 2.6233456 235 Sample_12_pos.mzML 99843.24 0 83.06022538821384 2.6915092 236 Sample_12_pos.mzML 213688.78 0 159.02754096432605 2.6711876 238 Sample_12_pos.mzML 420206.94 0 269.1074820276356 2.733594 239 Sample_12_pos.mzML 31187.537 0 136.06159150189967 2.7327607 240 Sample_12_pos.mzML 4083412.0 0 268.103853951424 2.735583 241 Sample_12_pos.mzML 55204.164 0 124.0867204867036 2.7465951 242 Sample_12_pos.mzML 22367.295 0 206.04549179878435 2.7396824 246 Sample_12_pos.mzML 77672.02 0 169.05813466701616 2.7622888 247 Sample_12_pos.mzML 16080.627 0 147.07620312825443 2.7634428 249 Sample_12_pos.mzML 72737.24 0 251.14995309511343 2.8096216 250 Sample_12_pos.mzML 52556.355 0 124.08672952186082 2.7857726 251 Sample_12_pos.mzML 61696.188 0 166.07212983034697 2.8522704 252 Sample_12_pos.mzML 16140.315 0 86.09628372212455 2.8936963 253 Sample_12_pos.mzML 234493.78 0 162.0582063782167 2.922553 254 Sample_12_pos.mzML 36433.836 0 158.08114129553522 3.0417824 255 Sample_12_pos.mzML 44532.234 0 124.03925425687731 3.3331635 256 Sample_12_pos.mzML 21538.621 0 131.11768354659372 3.5462894 259 Sample_12_pos.mzML 53890.035 0 147.03008748928804 3.6102345 265 Sample_12_pos.mzML 62106.51 0 237.1342771902892 3.554259 268 Sample_12_pos.mzML 1940716.1 0 104.10690922607166 3.615613 270 Sample_12_pos.mzML 103847.77 0 105.1101628079843 3.5773337 276 Sample_12_pos.mzML 118417.97 0 356.99219855042145 3.6094525 277 Sample_12_pos.mzML 356322.75 0 257.10061043785606 3.6021051 278 Sample_12_pos.mzML 1240122.5 0 235.11878342337727 3.6104362 279 Sample_12_pos.mzML 2651789.2 0 104.10691140742011 3.6254394 281 Sample_12_pos.mzML 2481546.0 0 146.02691561369866 3.617239 282 Sample_12_pos.mzML 669765.44 0 189.99069726862683 3.6186962 284 Sample_12_pos.mzML 2934031.5 0 104.10691151684348 3.6318386 285 Sample_12_pos.mzML 149364.2 0 105.11016638499711 3.6433537 286 Sample_12_pos.mzML 316866.6 0 270.1921498403816 3.6826499 289 Sample_12_pos.mzML 1352760.0 0 307.0436219791634 3.8853528 297 Sample_12_pos.mzML 3400484.2 0 291.0697298907951 3.9010928 298 Sample_12_pos.mzML 133092.2 0 257.1006228106187 3.904753 299 Sample_12_pos.mzML 129262.07 0 270.1921248236023 3.9918861 305 Sample_12_pos.mzML 1009513.9 0 235.11874356344256 3.9848194 307 Sample_12_pos.mzML 560159.25 0 146.02687268396707 3.9806588 308 Sample_12_pos.mzML 176477.39 0 314.09137691435643 3.989151 310 Sample_12_pos.mzML 2022073.2 0 269.0877500718245 3.9971244 311 Sample_12_pos.mzML 304895.72 0 270.1921288646996 3.9987442 313 Sample_12_pos.mzML 2410958.5 0 137.04561392556303 4.0023994 314 Sample_12_pos.mzML 51962.28 0 268.1037209235785 4.003829 315 Sample_12_pos.mzML 100876.7 0 163.05335215225128 4.0424848 317 Sample_12_pos.mzML 268288.7 0 152.05653168599866 4.009559 321 Sample_12_pos.mzML 3703809.5 0 148.04256672639687 4.012652 324 Sample_12_pos.mzML 53428.41 0 213.08672615987487 4.018884 334 Sample_12_pos.mzML 181294.45 0 245.18571573726572 4.136272 345 Sample_12_pos.mzML 90169.25 0 134.11737910350053 4.1628757 348 Sample_12_pos.mzML 251247.62 0 163.0533777453292 4.1968255 349 Sample_12_pos.mzML 64068.027 0 137.04558546014155 4.19949 352 Sample_12_pos.mzML 4169.1885 0 268.1037602942401 4.2119775 353 Sample_12_pos.mzML 55074.934 0 229.118040650464 4.229315 354 Sample_12_pos.mzML 118063.99 0 245.18574102113112 4.2097106 356 Sample_12_pos.mzML 45915.844 0 200.10278438614216 4.2574863 357 Sample_12_pos.mzML 4169.1885 0 268.1037589105309 4.217879 358 Sample_12_pos.mzML 18285.654 0 270.1922424181455 4.279421 359 Sample_12_pos.mzML 0.0 0 189.99075931378115 4.327314 360 Sample_12_pos.mzML 43112.68 0 134.11743645494067 4.2845025 361 Sample_12_pos.mzML 0.0 0 242.18611577228643 4.3433714 362 Sample_12_pos.mzML 17954.273 0 304.1765208263302 4.7402077 363 Sample_12_pos.mzML 0.0 0 172.13294299742864 4.7589955 364 Sample_12_pos.mzML 0.0 0 189.9905913432856 4.772744 367 Sample_12_pos.mzML 305382.22 0 159.09139985691644 4.8108883 371 Sample_12_pos.mzML 1068194.9 0 120.08061352243423 4.8438725 372 Sample_12_pos.mzML 745472.0 0 167.08935800092092 4.845658 373 Sample_12_pos.mzML 756736.9 0 266.07438437754746 4.819725 375 Sample_12_pos.mzML 445892.72 0 249.0607079423268 4.8210406 378 Sample_12_pos.mzML 1998546.9 0 205.09695945152035 4.8233333 380 Sample_12_pos.mzML 1552389.2 0 188.07038343865275 4.8246927 384 Sample_12_pos.mzML 1261759.5 0 188.07038967593124 4.8265615 385 Sample_12_pos.mzML 706325.0 0 266.07438495902727 4.8215938 390 Sample_12_pos.mzML 10955328.0 0 166.08609631348253 4.846532 391 Sample_12_pos.mzML 255417.88 0 146.02679892343698 4.84755 392 Sample_12_pos.mzML 1519893.5 0 120.08061021815044 4.850492 393 Sample_12_pos.mzML 2388431.5 0 176.11331845539647 4.850525 405 Sample_12_pos.mzML 28168.33 0 124.08671779184456 4.861618 406 Sample_12_pos.mzML 241066.86 0 242.18597353886392 4.893828 414 Sample_12_pos.mzML 756654.7 0 167.0893640074416 4.8583703 415 Sample_12_pos.mzML 890155.06 0 188.070370874549 4.853523 432 Sample_12_pos.mzML 6561873.0 0 132.10181358254428 5.070786 439 Sample_12_pos.mzML 1923107.9 0 134.10843493246685 5.0749183 440 Sample_12_pos.mzML 35506692.0 0 133.10514633013727 5.075796 441 Sample_12_pos.mzML 9311823.0 0 132.10180873486888 5.0757966 442 Sample_12_pos.mzML 838018.25 0 254.16086399050823 5.076235 444 Sample_12_pos.mzML 7168935.5 0 86.09634855868607 5.0771127 460 Sample_12_pos.mzML 740965.1 0 231.1700284982437 5.157729 462 Sample_12_pos.mzML 5757564.5 0 86.09635085819752 5.0803976 464 Sample_12_pos.mzML 7425429.5 0 132.1018131478376 5.079959 465 Sample_12_pos.mzML 28375628.0 0 133.10514770247934 5.0799584 466 Sample_12_pos.mzML 1543300.6 0 134.10843686992123 5.079081 471 Sample_12_pos.mzML 788700.8 0 231.17003514728088 5.1624675 472 Sample_12_pos.mzML 310370.88 0 177.068867688938 5.0954223 476 Sample_12_pos.mzML 102595.08 0 146.02680791872297 5.2020907 482 Sample_12_pos.mzML 337336.0 0 170.06097130330835 5.208097 485 Sample_12_pos.mzML 265584.3 0 322.054438749271 5.261234 486 Sample_12_pos.mzML 657933.7 0 306.0806507387645 5.269045 487 Sample_12_pos.mzML 310843.5 0 284.09869474213104 5.2824006 490 Sample_12_pos.mzML 857491.8 0 254.1609829416835 5.2925267 498 Sample_12_pos.mzML 114866.33 0 228.1703774765928 5.428404 499 Sample_12_pos.mzML 698459.5 0 254.16093846752423 5.4288635 500 Sample_12_pos.mzML 184482.06 0 176.06557454370355 5.4312606 501 Sample_12_pos.mzML 1002780.8 0 86.09634303157317 5.453327 502 Sample_12_pos.mzML 4322473.0 0 132.10179944532445 5.452833 505 Sample_12_pos.mzML 1227667.5 0 133.10515142846097 5.4484563 506 Sample_12_pos.mzML 4866723.0 0 132.10179448037488 5.4554677 507 Sample_12_pos.mzML 1111386.9 0 86.09633268244676 5.4559617 508 Sample_12_pos.mzML 85699.8 0 192.0394553458964 5.4579144 510 Sample_12_pos.mzML 698459.5 0 254.160928157678 5.431993 518 Sample_12_pos.mzML 271888.62 0 208.01345244401543 5.4915414 529 Sample_12_pos.mzML 828514.9 0 122.9244093086683 5.570595 530 Sample_12_pos.mzML 311238.78 0 458.7694151411931 5.5711894 532 Sample_12_pos.mzML 520884.47 0 206.88568577248728 5.572176 534 Sample_12_pos.mzML 338751.53 0 542.7307149004203 5.5728345 537 Sample_12_pos.mzML 1055369.6 0 290.8469756666516 5.574323 539 Sample_12_pos.mzML 300960.94 0 292.84486404160776 5.57543 546 Sample_12_pos.mzML 34038292.0 0 118.086136282161 5.6935368 547 Sample_12_pos.mzML 1805129.1 0 119.08943078666724 5.6957307 549 Sample_12_pos.mzML 453679.66 0 158.03999253356488 5.6885877 558 Sample_12_pos.mzML 38010156.0 0 118.08614084735753 5.695406 559 Sample_12_pos.mzML 5923139.5 0 156.0419594783285 5.700437 561 Sample_12_pos.mzML 239346.16 0 133.10503503876865 5.7478676 563 Sample_12_pos.mzML 2000443.1 0 119.08942925468972 5.6976 564 Sample_12_pos.mzML 2283872.2 0 235.1649571996301 5.6980495 573 Sample_12_pos.mzML 6601895.5 0 273.1208172600843 5.7226243 586 Sample_12_pos.mzML 1019006.6 0 150.0580937823089 5.736668 587 Sample_12_pos.mzML 2178833.8 0 257.14684101952525 5.737107 591 Sample_12_pos.mzML 1962108.9 0 163.05338891159045 5.738424 603 Sample_12_pos.mzML 1110417.2 0 107.0714836044441 5.7414956 604 Sample_12_pos.mzML 2344361.5 0 136.05042953346918 5.741495 606 Sample_12_pos.mzML 18835396.0 0 153.07702607515895 5.742373 609 Sample_12_pos.mzML 527585.4 0 201.00917974363804 5.743689 617 Sample_12_pos.mzML 789429.3 0 156.04195771190652 5.7104034 621 Sample_12_pos.mzML 1387002.9 0 273.12082086293464 5.7262015 622 Sample_12_pos.mzML 294268.66 0 132.10170818206214 5.7288346 628 Sample_12_pos.mzML 296260.9 0 133.10504212972964 5.765699 640 Sample_12_pos.mzML 449647.0 0 217.15447541961305 5.817688 659 Sample_12_pos.mzML 242291.14 0 203.13879992661973 5.825148 660 Sample_12_pos.mzML 628322.3 0 215.13885933944832 5.825148 674 Sample_12_pos.mzML 194175.3 0 138.0547721930798 5.8345313 678 Sample_12_pos.mzML 125772.97 0 227.15804343513688 5.843843 679 Sample_12_pos.mzML 1130786.0 0 226.1548276939271 5.84388 683 Sample_12_pos.mzML 1984730.6 0 118.08618244730933 5.818649 685 Sample_12_pos.mzML 168432.38 0 197.040867463821 5.8871245 686 Sample_12_pos.mzML 125275.44 0 320.17136170937744 5.910408 687 Sample_12_pos.mzML 725183.4 0 115.08651467149711 5.9351325 688 Sample_12_pos.mzML 233398.6 0 137.06841851907743 5.936834 690 Sample_12_pos.mzML 51694.03 0 265.11149031603264 5.9485784 691 Sample_12_pos.mzML 98006.64 0 228.14534892007973 6.0084243 693 Sample_12_pos.mzML 257033.38 0 226.1548933204581 6.043236 695 Sample_12_pos.mzML 529403.06 0 228.1454157073448 6.1668887 698 Sample_12_pos.mzML 1903149.6 0 118.08615791324712 6.2560725 699 Sample_12_pos.mzML 157699.33 0 132.10171546003687 6.300898 700 Sample_12_pos.mzML 343650.22 0 133.10509747646654 6.288588 701 Sample_12_pos.mzML 368367.78 0 153.07699495948592 6.2302094 708 Sample_12_pos.mzML 175685.48 0 298.02467259368444 6.2890944 710 Sample_12_pos.mzML 520773.72 0 162.0499397667938 6.361732 711 Sample_12_pos.mzML 1144552.8 0 118.08612947184405 6.2692437 713 Sample_12_pos.mzML 1931538.4 0 90.976550099308 6.411321 717 Sample_12_pos.mzML 193215.58 0 133.10506197129337 6.3418784 723 Sample_12_pos.mzML 67275.7 0 132.10170322970416 6.3238697 729 Sample_12_pos.mzML 4198701.0 0 430.9133167798752 6.445311 730 Sample_12_pos.mzML 2831753.5 0 498.9006283059093 6.4422398 733 Sample_12_pos.mzML 2256292.2 0 566.887996552571 6.4444346 742 Sample_12_pos.mzML 798042.56 0 162.049928906656 6.3924384 743 Sample_12_pos.mzML 2582064.5 0 566.8879974709893 6.465941 744 Sample_12_pos.mzML 385205.94 0 298.0246176631577 6.392486 746 Sample_12_pos.mzML 3712715.0 0 90.9765516798645 6.4571624 752 Sample_12_pos.mzML 5263530.0 0 362.925952839678 6.459356 753 Sample_12_pos.mzML 4585587.5 0 430.91332032039486 6.4764752 754 Sample_12_pos.mzML 3591856.0 0 498.9006293329196 6.464187 760 Sample_12_pos.mzML 4197730.5 0 430.9133173583412 6.47867 763 Sample_12_pos.mzML 6447930.0 0 362.9259521619515 6.46155 768 Sample_12_pos.mzML 4548468.0 0 498.9006350513378 6.4663815 772 Sample_12_pos.mzML 3522747.5 0 566.8880079908274 6.4703307 774 Sample_12_pos.mzML 29673360.0 0 226.95130605314407 6.4734025 776 Sample_12_pos.mzML 4377274.5 0 158.96391743043827 6.475264 777 Sample_12_pos.mzML 4479041.0 0 90.97655184812557 6.4699974 783 Sample_12_pos.mzML 6668045.5 0 430.913321997725 6.485361 797 Sample_12_pos.mzML 2333814.5 0 498.9006368424921 6.481851 798 Sample_12_pos.mzML 1805731.4 0 566.8880087807638 6.490188 801 Sample_12_pos.mzML 1152726.5 0 116.07045588148864 6.535134 806 Sample_12_pos.mzML 1669913.0 0 90.97654696859416 6.497805 807 Sample_12_pos.mzML 316983.1 0 133.1050813977587 6.57356 820 Sample_12_pos.mzML 59343.336 0 258.15586908713766 6.8444924 821 Sample_12_pos.mzML 270822.44 0 301.96555337204217 6.8449597 822 Sample_12_pos.mzML 294238.5 0 214.12973993847905 6.8736024 826 Sample_12_pos.mzML 155219.8 0 376.979765282261 6.890302 833 Sample_12_pos.mzML 131717.86 0 308.9923908286443 6.898309 835 Sample_12_pos.mzML 31140.262 0 173.09190815945408 6.8987 836 Sample_12_pos.mzML 729555.5 0 165.99085411729348 6.9019084 837 Sample_12_pos.mzML 43861.887 0 451.9939689509807 6.901796 842 Sample_12_pos.mzML 194243.92 0 122.02695576262852 6.907451 845 Sample_12_pos.mzML 0.0 0 241.0309804045192 6.929818 848 Sample_12_pos.mzML 135193.44 0 118.08612324531742 6.906456 850 Sample_12_pos.mzML 193293.55 0 122.02695713603926 6.910003 853 Sample_12_pos.mzML 91197.61 0 208.1806931005108 6.967325 857 Sample_12_pos.mzML 375294.62 0 226.95139637449867 7.056883 858 Sample_12_pos.mzML 200815.38 0 258.156014085099 7.159303 859 Sample_12_pos.mzML 56953.64 0 104.07052981519426 7.1661315 860 Sample_12_pos.mzML 170726.2 0 226.9514186720039 7.1463103 861 Sample_12_pos.mzML 34772.336 0 245.9476010251665 7.220245 862 Sample_12_pos.mzML 34818.09 0 201.9837410781343 7.2195973 863 Sample_12_pos.mzML 26864.691 0 267.92949707305337 7.2172837 864 Sample_12_pos.mzML 83012.82 0 90.05496978874557 7.6612244 865 Sample_12_pos.mzML 37456.29 0 244.140503738826 7.6647267 866 Sample_12_pos.mzML 11958.752 0 230.14997669311865 7.6839995 867 Sample_12_pos.mzML 29417.229 0 134.01883779940704 7.6638207 868 Sample_12_pos.mzML 10663.019 0 328.0301594961641 7.9222236 869 Sample_12_pos.mzML 30604.518 0 306.048316086854 7.914533 870 Sample_12_pos.mzML 42312.324 0 285.1667082325685 7.933275 871 Sample_12_pos.mzML 30870.756 0 387.2709948049544 7.9394317 872 Sample_12_pos.mzML 43628.38 0 187.10747655608205 7.93947 877 Sample_12_pos.mzML 115807.01 0 197.0894356361632 7.961445 879 Sample_12_pos.mzML 452785.44 0 269.16060472372754 7.962421 880 Sample_12_pos.mzML 155659.11 0 346.05434588118914 7.9639306 881 Sample_12_pos.mzML 156763.38 0 271.1510202898235 7.9642925 890 Sample_12_pos.mzML 110771.94 0 129.06566925010313 7.9716926 891 Sample_12_pos.mzML 853837.4 0 120.06545039741656 7.972265 894 Sample_12_pos.mzML 371538.25 0 164.02922326766455 7.9790225 895 Sample_12_pos.mzML 161186.44 0 133.10507612878197 7.9839897 896 Sample_12_pos.mzML 83283.836 0 153.07696300828565 7.981729 899 Sample_12_pos.mzML 110771.94 0 129.06566954676447 7.973686 901 Sample_12_pos.mzML 660638.2 0 233.10652019611663 7.9997315 904 Sample_12_pos.mzML 168971.11 0 217.12933749214804 8.017409 909 Sample_12_pos.mzML 29028.916 0 205.11810687589983 8.066115 910 Sample_12_pos.mzML 63658.633 0 176.09158435507644 8.110695 911 Sample_12_pos.mzML 79003.4 0 120.06538793621888 8.095319 912 Sample_12_pos.mzML 156380.66 0 216.13414402314515 8.137809 913 Sample_12_pos.mzML 46242.496 0 254.110947332547 8.13853 918 Sample_12_pos.mzML 34738.18 0 142.09734305994664 8.155034 919 Sample_12_pos.mzML 46929.957 0 247.12867941295664 8.191632 920 Sample_12_pos.mzML 42883.664 0 203.11372007085788 8.203923 921 Sample_12_pos.mzML 25674.404 0 246.1446736791892 8.23056 922 Sample_12_pos.mzML 88298.08 0 261.1443564364716 8.234616 923 Sample_12_pos.mzML 19126.299 0 283.12626085214976 8.235302 924 Sample_12_pos.mzML 75628.34 0 269.16066025719937 8.241423 925 Sample_12_pos.mzML 25243.566 0 226.9513300667016 8.252555 926 Sample_12_pos.mzML 22918.848 0 118.0861033091863 8.375219 927 Sample_12_pos.mzML 0.0 0 244.0942511712273 8.360445 928 Sample_12_pos.mzML 27188.797 0 201.1788423536045 8.363343 929 Sample_12_pos.mzML 318460.06 0 200.1756825779179 8.360786 930 Sample_12_pos.mzML 46040.344 0 226.9513188023629 8.36787 931 Sample_12_pos.mzML 19333.064 0 217.1181167414713 8.373118 932 Sample_12_pos.mzML 42287.543 0 265.12695885890884 8.393177 933 Sample_12_pos.mzML 202245.77 0 365.105201429741 8.39588 934 Sample_12_pos.mzML 46812.152 0 157.16978702908858 8.416748 935 Sample_12_pos.mzML 29081.76 0 205.11817679551444 8.449443 936 Sample_12_pos.mzML 146513.42 0 166.0531984049978 8.511632 937 Sample_12_pos.mzML 40129.137 0 210.01689084731828 8.517229 938 Sample_12_pos.mzML 62946.723 0 574.1288443930529 8.598261 939 Sample_12_pos.mzML 150735.14 0 188.03499184859004 8.604352 940 Sample_12_pos.mzML 95999.15 0 166.05302736240878 8.598813 941 Sample_12_pos.mzML 0.0 0 147.07628217729822 8.606629 942 Sample_12_pos.mzML 0.0 0 169.0581892689462 8.606629 944 Sample_12_pos.mzML 94616.484 0 175.10751430696803 8.61571 945 Sample_12_pos.mzML 115927.57 0 258.14458594133026 8.616849 949 Sample_12_pos.mzML 529013.4 0 106.0497993519311 8.619147 951 Sample_12_pos.mzML 55042.004 0 227.09996497608665 8.619727 953 Sample_12_pos.mzML 90847.14 0 365.1050858603464 8.622464 954 Sample_12_pos.mzML 89560.734 0 277.03801398466214 8.624969 957 Sample_12_pos.mzML 307216.66 0 230.1133787668119 8.627342 958 Sample_12_pos.mzML 139585.06 0 150.01357254868546 8.627431 964 Sample_12_pos.mzML 89336.58 0 268.12651808851587 8.64582 965 Sample_12_pos.mzML 50900.297 0 246.14460651871127 8.647682 966 Sample_12_pos.mzML 48571.934 0 118.0860713755489 8.666564 970 Sample_12_pos.mzML 109982.234 0 331.0597083994683 8.728163 971 Sample_12_pos.mzML 324329.66 0 177.02446857919654 8.73112 974 Sample_12_pos.mzML 341433.88 0 155.04258957375788 8.740393 975 Sample_12_pos.mzML 286266.2 0 230.1133464625389 8.74039 979 Sample_12_pos.mzML 699526.9 0 133.0606595880094 8.745018 980 Sample_12_pos.mzML 133607.89 0 286.15069933735964 8.763644 982 Sample_12_pos.mzML 163825.27 0 247.12860338588263 8.766978 988 Sample_12_pos.mzML 68415.625 0 361.1977693027184 8.791953 994 Sample_12_pos.mzML 640665.6 0 296.0656615542094 8.852614 995 Sample_12_pos.mzML 2416704.2 0 280.0918526920189 8.8539295 998 Sample_12_pos.mzML 869475.7 0 537.1943231163153 8.85701 999 Sample_12_pos.mzML 655586.3 0 259.11326523868405 8.8587675 1003 Sample_12_pos.mzML 7778012.5 0 258.1099364516471 8.860084 1009 Sample_12_pos.mzML 234070.25 0 153.07693685054173 8.865781 1016 Sample_12_pos.mzML 222093.4 0 322.1869685406384 8.8856325 1019 Sample_12_pos.mzML 284741.7 0 348.0696595688975 8.905177 1020 Sample_12_pos.mzML 122548.36 0 156.14936280240056 8.929667 1023 Sample_12_pos.mzML 140293.84 0 255.14499651185736 8.961529 1026 Sample_12_pos.mzML 102109.945 0 198.0847628014792 8.995751 1027 Sample_12_pos.mzML 56455.598 0 176.1027959719887 8.99959 1029 Sample_12_pos.mzML 621790.44 0 288.2028931457914 9.03741 1030 Sample_12_pos.mzML 71293.984 0 289.2065919245926 9.038054 1031 Sample_12_pos.mzML 62037.184 0 168.076587656824 9.039931 1033 Sample_12_pos.mzML 119200.82 0 229.12936404392448 9.058728 1034 Sample_12_pos.mzML 54997.277 0 251.11128458048435 9.060653 1036 Sample_12_pos.mzML 102798.72 0 294.18102755142905 9.065932 1039 Sample_12_pos.mzML 29546.852 0 258.1447309396798 9.109013 1040 Sample_12_pos.mzML 0.0 0 365.1052316626935 9.099115 1043 Sample_12_pos.mzML 22595.504 0 258.14458259952363 9.161549 1045 Sample_12_pos.mzML 64414.527 0 216.0629531114795 9.191652 1048 Sample_12_pos.mzML 50725.562 0 238.04483266653563 9.194025 1051 Sample_12_pos.mzML 208678.83 0 269.1604872451791 9.198629 1053 Sample_12_pos.mzML 1516350.0 0 260.19665861930304 9.201791 1054 Sample_12_pos.mzML 189893.61 0 261.20006499413546 9.202691 1067 Sample_12_pos.mzML 263444.56 0 149.06356867672196 9.225198 1069 Sample_12_pos.mzML 709066.4 0 130.04972503456412 9.2256365 1071 Sample_12_pos.mzML 4980734.0 0 148.06031941955982 9.226085 1079 Sample_12_pos.mzML 1961358.6 0 288.2028125859761 9.241891 1085 Sample_12_pos.mzML 189987.28 0 221.112942320711 9.250683 1096 Sample_12_pos.mzML 240046.23 0 366.10847337323975 9.300052 1099 Sample_12_pos.mzML 1854895.0 0 365.1051586729516 9.302187 1100 Sample_12_pos.mzML 84157.516 0 118.08606206806408 9.277427 1102 Sample_12_pos.mzML 150356.73 0 360.149656817636 9.311521 1107 Sample_12_pos.mzML 94615.625 0 359.26492669564453 9.318966 1111 Sample_12_pos.mzML 702632.75 0 260.1967063364553 9.344571 1112 Sample_12_pos.mzML 84231.34 0 261.2001203040639 9.346213 1113 Sample_12_pos.mzML 33825.484 0 433.0925277310742 9.346755 1118 Sample_12_pos.mzML 113652.08 0 345.22421788168214 9.386636 1121 Sample_12_pos.mzML 419164.88 0 203.1501620783906 9.454228 1122 Sample_12_pos.mzML 72778.93 0 188.1755993548724 9.460129 1124 Sample_12_pos.mzML 128693.45 0 294.16712720772256 9.486702 1125 Sample_12_pos.mzML 57813.34 0 335.0339660433254 9.493368 1126 Sample_12_pos.mzML 119245.55 0 313.0520546222224 9.502534 1127 Sample_12_pos.mzML 65479.867 0 289.206630553843 9.5099125 1128 Sample_12_pos.mzML 554891.5 0 288.2029258528593 9.509217 1131 Sample_12_pos.mzML 143657.84 0 218.18619761371053 9.525903 1132 Sample_12_pos.mzML 58330.16 0 306.06162796412696 9.547405 1133 Sample_12_pos.mzML 52597.04 0 188.17558642399584 9.518045 1134 Sample_12_pos.mzML 51590.234 0 260.1967002040386 9.570424 1135 Sample_12_pos.mzML 21992.13 0 306.1592562972893 9.571097 1136 Sample_12_pos.mzML 462705.72 0 284.0796833657358 9.646189 1137 Sample_12_pos.mzML 53738.81 0 324.0588200527568 9.649519 1138 Sample_12_pos.mzML 62908.074 0 219.09737415252712 9.655475 1139 Sample_12_pos.mzML 125614.45 0 148.0602834766663 9.6562 1141 Sample_12_pos.mzML 53381.15 0 154.01670024274702 9.662093 1143 Sample_12_pos.mzML 10290.792 0 195.04322321426469 9.665049 1144 Sample_12_pos.mzML 198476.23 0 290.1344649431372 9.675607 1145 Sample_12_pos.mzML 200301.34 0 283.04150739594115 9.690609 1149 Sample_12_pos.mzML 94145.89 0 207.0973923543056 9.729797 1150 Sample_12_pos.mzML 46629.566 0 308.09087390128616 9.73265 1151 Sample_12_pos.mzML 35894.23 0 613.1510753489329 9.735156 1155 Sample_12_pos.mzML 35847.21 0 317.2180748441611 9.774086 1157 Sample_12_pos.mzML 273533.28 0 260.1966837829511 9.806193 1159 Sample_12_pos.mzML 66227.22 0 345.2493190320606 9.83373 1163 Sample_12_pos.mzML 105396.89 0 282.1180701017672 9.848723 1164 Sample_12_pos.mzML 157823.72 0 219.0973471625064 9.852621 1165 Sample_12_pos.mzML 120709.92 0 248.12386819185812 9.854269 1167 Sample_12_pos.mzML 312790.03 0 262.90666776551785 9.858233 1168 Sample_12_pos.mzML 99821.35 0 284.0795670488393 9.863204 1171 Sample_12_pos.mzML 1012413.2 0 134.04468296663256 9.863805 1172 Sample_12_pos.mzML 187961.66 0 142.94789363209495 9.862807 1174 Sample_12_pos.mzML 141783.48 0 249.107884486856 9.871725 1175 Sample_12_pos.mzML 681016.25 0 274.18716937581314 9.873346 1181 Sample_12_pos.mzML 171558.08 0 338.1819343706756 9.884996 1185 Sample_12_pos.mzML 158223.19 0 175.14390259797082 9.938897 1187 Sample_12_pos.mzML 5321920.5 0 156.07665515382126 9.965302 1188 Sample_12_pos.mzML 162654.97 0 178.05845818353518 9.965835 1189 Sample_12_pos.mzML 298881.7 0 110.07110800895867 9.96585 1192 Sample_12_pos.mzML 341317.44 0 157.07990648632463 9.970797 1195 Sample_12_pos.mzML 251023.78 0 246.1809879902873 9.996257 1201 Sample_12_pos.mzML 89994.516 0 299.0363071280015 10.030114 1205 Sample_12_pos.mzML 125440.57 0 310.17584025335856 10.059572 1206 Sample_12_pos.mzML 84470.7 0 190.1628070441479 10.089722 1207 Sample_12_pos.mzML 984544.6 0 189.15962556992508 10.091929 1208 Sample_12_pos.mzML 105544.24 0 275.1908113067463 10.101804 1209 Sample_12_pos.mzML 1010299.8 0 274.18718518067203 10.102931 1211 Sample_12_pos.mzML 479344.78 0 364.0649234803579 10.105504 1216 Sample_12_pos.mzML 457789.88 0 227.11370840600603 10.148948 1219 Sample_12_pos.mzML 28693.451 0 195.0254494451458 10.179174 1220 Sample_12_pos.mzML 285466.6 0 323.0839267608916 10.180491 1224 Sample_12_pos.mzML 171576.38 0 237.05378657328663 10.185353 1229 Sample_12_pos.mzML 87162.586 0 259.12865594655494 10.204153 1234 Sample_12_pos.mzML 27880.021 0 235.09230901827425 10.252195 1239 Sample_12_pos.mzML 134528.4 0 472.2874612980231 10.308299 1242 Sample_12_pos.mzML 15360329.0 0 175.11882033505466 10.356683 1243 Sample_12_pos.mzML 485539.03 0 349.23023603947246 10.357158 1244 Sample_12_pos.mzML 195588.45 0 371.2121607007718 10.357639 1246 Sample_12_pos.mzML 982673.4 0 176.12211343714353 10.358672 1249 Sample_12_pos.mzML 323620.97 0 197.1006803958095 10.360531 1251 Sample_12_pos.mzML 277087.6 0 130.09729229124068 10.370269 1252 Sample_12_pos.mzML 402859.72 0 246.18095223184145 10.376628 1254 Sample_12_pos.mzML 24684.258 0 364.0649180883176 10.324018 1256 Sample_12_pos.mzML 52413.88 0 272.1714484795354 10.424933 1258 Sample_12_pos.mzML 143015.0 0 257.1242348570159 10.465497 1259 Sample_12_pos.mzML 120503.77 0 285.2030842021909 10.469291 1260 Sample_12_pos.mzML 91059.21 0 156.0765780966775 10.469985 1261 Sample_12_pos.mzML 157331.47 0 442.74712460313145 10.470643 1263 Sample_12_pos.mzML 69132.7 0 347.228682719869 10.512813 1264 Sample_12_pos.mzML 76577.65 0 303.20249423925924 10.522915 1266 Sample_12_pos.mzML 110204.74 0 213.09809375538885 10.5390005 1267 Sample_12_pos.mzML 31434.053 0 589.1399646335841 10.551182 1271 Sample_12_pos.mzML 73822.11 0 156.07656270160743 10.643449 1272 Sample_12_pos.mzML 841394.2 0 175.11883104950437 10.63616 1276 Sample_12_pos.mzML 377907.3 0 148.11599366591082 10.651277 1278 Sample_12_pos.mzML 176681.58 0 191.07647587262292 10.651727 1279 Sample_12_pos.mzML 1087917.5 0 130.0861855729082 10.652225 1280 Sample_12_pos.mzML 195505.45 0 84.08064494962149 10.652238 1281 Sample_12_pos.mzML 5656621.0 0 147.1127199612054 10.652242 1283 Sample_12_pos.mzML 138100.62 0 169.09453102570544 10.654132 1289 Sample_12_pos.mzML 130375.27 0 244.16534762312872 10.664137 1290 Sample_12_pos.mzML 139105.27 0 257.1969723050618 10.6713915 1293 Sample_12_pos.mzML 721768.7 0 133.09706985780863 10.722098 1295 Sample_12_pos.mzML 339695.5 0 116.07050095631276 10.722583 1296 Sample_12_pos.mzML 59116.34 0 489.2762008111585 10.794624 1298 Sample_12_pos.mzML 39332.867 0 175.11881153058343 10.751388 1310 Sample_12_pos.mzML 954952.0 0 304.03932259922425 10.842536 1317 Sample_12_pos.mzML 1808190.5 0 283.06144442783113 10.857608 1318 Sample_12_pos.mzML 929310.5 0 563.1074885117305 10.858048 1320 Sample_12_pos.mzML 22384724.0 0 282.05750541230793 10.858509 1321 Sample_12_pos.mzML 1916880.0 0 284.0531507149704 10.858556 1324 Sample_12_pos.mzML 461500.0 0 163.05334706421047 10.861239 1330 Sample_12_pos.mzML 773312.7 0 237.0359682970429 10.877342 1334 Sample_12_pos.mzML 88246.47 0 175.1187171353388 10.861039 1336 Sample_12_pos.mzML 35688.117 0 241.03078940211464 10.946838 1342 Sample_12_pos.mzML 1434305.5 0 246.1559001157775 10.92701 1345 Sample_12_pos.mzML 130295.52 0 247.15931781669644 10.927976 1346 Sample_12_pos.mzML 131573.66 0 243.1085915333856 10.930374 1348 Sample_12_pos.mzML 417880.22 0 163.0534682624983 10.963395 1349 Sample_12_pos.mzML 111839.99 0 241.0308201955841 10.969333 1350 Sample_12_pos.mzML 47697.234 0 158.91554905353604 10.985007 1352 Sample_12_pos.mzML 41416.383 0 284.0795279906775 11.007104 1353 Sample_12_pos.mzML 39726.69 0 285.1191553590796 11.007634 1354 Sample_12_pos.mzML 89157.4 0 218.14977569757968 11.019916 1355 Sample_12_pos.mzML 606292.75 0 276.1666669024399 11.127444 1356 Sample_12_pos.mzML 55202.375 0 277.17032556111366 11.130445 1360 Sample_12_pos.mzML 27631.242 0 270.11951370352017 11.143098 1361 Sample_12_pos.mzML 24310.885 0 477.7683038765202 11.143561 1362 Sample_12_pos.mzML 324635.5 0 218.149918302188 11.197883 1364 Sample_12_pos.mzML 62487.336 0 175.11883005279304 11.212697 1365 Sample_12_pos.mzML 96898.74 0 248.16044847300984 11.214851 1366 Sample_12_pos.mzML 54967.938 0 241.03097143373472 11.219297 1367 Sample_12_pos.mzML 379243.5 0 232.14043462663736 11.221642 1369 Sample_12_pos.mzML 86257.27 0 282.057543479596 11.168553 1370 Sample_12_pos.mzML 70004.734 0 313.18703563912146 11.3278265 1371 Sample_12_pos.mzML 16932.568 0 248.1605684094749 11.336497 1374 Sample_12_pos.mzML 340454.97 0 277.1390483125494 11.51134 1376 Sample_12_pos.mzML 17690.883 0 278.1423901329732 11.513539 1377 Sample_12_pos.mzML 164248.36 0 282.057449726996 11.514416 1378 Sample_12_pos.mzML 477444.25 0 304.16126122413266 11.517955 1388 Sample_12_pos.mzML 870283.7 0 262.1506913923568 11.531592 1389 Sample_12_pos.mzML 538237.3 0 204.13402659101504 11.532012 1407 Sample_12_pos.mzML 983416.06 0 276.1550226035785 11.559689 1409 Sample_12_pos.mzML 78605870.0 0 241.03094338850485 11.5610075 1415 Sample_12_pos.mzML 6926787.0 0 243.02678201103345 11.562327 1426 Sample_12_pos.mzML 466078.9 0 303.1772234383022 11.568047 1437 Sample_12_pos.mzML 985716.2 0 251.166119732511 11.585159 1457 Sample_12_pos.mzML 835945.75 0 275.1710225348117 11.613685 1466 Sample_12_pos.mzML 1901820.4 0 263.0128023889946 11.642216 1469 Sample_12_pos.mzML 312560.62 0 278.98660980913854 11.648937 1471 Sample_12_pos.mzML 263568.28 0 396.2363286809719 11.677346 1473 Sample_12_pos.mzML 1260441.6 0 234.1446648417694 11.690246 1485 Sample_12_pos.mzML 732029.6 0 261.15555602427605 11.726382 1487 Sample_12_pos.mzML 345633.62 0 289.1616430518823 11.733912 1488 Sample_12_pos.mzML 40524.72 0 182.9849459620996 11.736179 1492 Sample_12_pos.mzML 111556.64 0 304.02686844036094 11.8071165 1499 Sample_12_pos.mzML 218022.28 0 151.03510544906462 11.850545 1503 Sample_12_pos.mzML 64505.133 0 278.9867347050311 11.727371 1509 Sample_12_pos.mzML 53376.055 0 304.0269243781329 11.844499 1510 Sample_12_pos.mzML 268569.97 0 151.03514920449794 11.8673315 1515 Sample_12_pos.mzML 0.0 0 376.2189013075872 11.939273 1521 Sample_12_pos.mzML 0.0 0 473.3444755147893 12.102442 1522 Sample_12_pos.mzML 0.0 0 298.05247964856613 12.136988 1523 Sample_12_pos.mzML 29929.066 0 173.13408485930873 12.497563 1524 Sample_12_pos.mzML 40995.332 0 427.0952727376404 12.633031 1525 Sample_12_pos.mzML 1535.6404 0 182.98494465025965 12.898163 1527 Sample_12_pos.mzML 2782303.2 0 167.01271717741983 12.917134 1528 Sample_12_pos.mzML 831365.1 0 255.94395639690367 12.917243 1530 Sample_12_pos.mzML 298149.28 0 385.9017133531906 12.921013 1531 Sample_12_pos.mzML 458890.53 0 143.99665492800966 12.922867 1533 Sample_12_pos.mzML 1821269.4 0 125.98620278672723 12.925508 1536 Sample_12_pos.mzML 252705.1 0 282.9047940378916 12.953278 1539 Sample_12_pos.mzML 48578.76 0 491.7875226546853 13.435786 1540 Sample_12_pos.mzML 76381.71 0 167.01272908201915 14.068723 1541 Sample_12_pos.mzML 0.0 0 241.03094812769385 14.083734 1542 Sample_12_pos.mzML 5013.006 0 125.9861272213276 14.077281 1543 Sample_12_pos.mzML 2215.1133 0 241.03092328785684 14.2579565 1544 Sample_12_pos.mzML 70447.99 0 125.98610652607104 14.2632475 1545 Sample_12_pos.mzML 402596.8 0 125.9860987016528 14.282119 1546 Sample_12_pos.mzML 873417.44 0 167.01266837053672 14.29509 1547 Sample_12_pos.mzML 4347.5596 0 241.03092878208284 14.737781 1548 Sample_12_pos.mzML 0.0 0 241.03095848676367 15.381517 1549 Sample_12_pos.mzML 0.0 0 241.03092431621664 15.560758 1550 Sample_12_pos.mzML 74314.78 0 125.98607678073093 19.125986 1551 Sample_12_pos.mzML 75911.375 0 125.986068468798 19.237349 1 Sample_01_pos.mzML 27968.102 0 124.08669564836464 0.884114 2 Sample_01_pos.mzML 0.0 0 709.5135709142155 0.9277029 3 Sample_01_pos.mzML 11439.169 0 708.5102830575064 0.92855316 4 Sample_01_pos.mzML 5790.9795 0 680.4788218943072 0.94213986 5 Sample_01_pos.mzML 2205.8813 0 663.4525341847894 0.94251555 8 Sample_01_pos.mzML 43744.074 0 124.0866635483428 0.9758523 13 Sample_01_pos.mzML 1616.6956 0 338.3410184191165 0.94918865 14 Sample_01_pos.mzML 8979.551 0 228.19530207513023 0.9487448 15 Sample_01_pos.mzML 4242.183 0 431.3836089366016 0.94785005 16 Sample_01_pos.mzML 11996.025 0 171.14883588649835 0.96850353 18 Sample_01_pos.mzML 495374.4 0 392.253772671759 0.95138794 19 Sample_01_pos.mzML 58958.867 0 144.98179283118262 0.9658699 24 Sample_01_pos.mzML 3603666.8 0 394.2890043118055 0.9663088 25 Sample_01_pos.mzML 16039693.0 0 393.2855729410101 0.9663088 27 Sample_01_pos.mzML 936865.7 0 377.2624336443359 0.96850294 34 Sample_01_pos.mzML 4181857.5 0 376.2589851838652 0.9727521 38 Sample_01_pos.mzML 1426609.2 0 421.31661595485554 0.9779623 39 Sample_01_pos.mzML 207998.67 0 88.07551193113026 0.97947496 53 Sample_01_pos.mzML 21890.355 0 124.08666138918748 0.993165 56 Sample_01_pos.mzML 903586.9 0 377.2624197988114 0.9718469 59 Sample_01_pos.mzML 149590.78 0 432.2372666227246 1.0112926 62 Sample_01_pos.mzML 1333803.1 0 421.3166253437647 0.97587925 63 Sample_01_pos.mzML 109979.81 0 387.179513993051 1.0174752 64 Sample_01_pos.mzML 125761.13 0 404.206042018552 1.0174752 66 Sample_01_pos.mzML 55043.598 0 88.07550968410891 0.9884599 67 Sample_01_pos.mzML 1919839.6 0 394.2889108048021 0.9842202 68 Sample_01_pos.mzML 33353.56 0 351.23847785630625 1.0211498 70 Sample_01_pos.mzML 8396710.0 0 393.2854598750544 0.9889083 73 Sample_01_pos.mzML 1812945.0 0 376.25890207776246 0.99538916 74 Sample_01_pos.mzML 0.0 0 288.2529471652366 1.0429213 75 Sample_01_pos.mzML 24148.004 0 331.0807619477385 1.0405952 77 Sample_01_pos.mzML 64923.676 0 326.3776187676901 1.0575842 78 Sample_01_pos.mzML 127482.25 0 171.14889188727136 1.0486741 79 Sample_01_pos.mzML 10842.615 0 327.3810916038047 1.0591878 80 Sample_01_pos.mzML 35410.066 0 163.13257303241096 1.0823013 81 Sample_01_pos.mzML 728345.75 0 393.2854036509345 1.0183046 83 Sample_01_pos.mzML 92197.555 0 244.1904237605233 1.0973613 84 Sample_01_pos.mzML 91535.58 0 226.1798566023925 1.0981086 85 Sample_01_pos.mzML 52821.96 0 266.17230843797444 1.0986773 86 Sample_01_pos.mzML 8479.439 0 227.1831032067456 1.0987782 87 Sample_01_pos.mzML 39147.977 0 304.29949433328 1.1027321 88 Sample_01_pos.mzML 5622.4346 0 305.30293167052633 1.1067916 92 Sample_01_pos.mzML 43879.02 0 251.18498943129944 1.1416863 93 Sample_01_pos.mzML 93929.32 0 124.08670965523844 1.1556855 94 Sample_01_pos.mzML 23826.932 0 216.0559227001227 1.1569017 95 Sample_01_pos.mzML 3495859.0 0 214.04970061718825 1.1580465 97 Sample_01_pos.mzML 444314.1 0 215.0529211514825 1.1586148 98 Sample_01_pos.mzML 16909.648 0 212.14716102940864 1.1687001 99 Sample_01_pos.mzML 4632.55 0 258.2788169776792 1.167492 100 Sample_01_pos.mzML 88766.875 0 88.07553334535379 1.1669827 101 Sample_01_pos.mzML 49418.945 0 180.10163704706503 1.1693052 102 Sample_01_pos.mzML 0.0 0 259.28220830541363 1.1698533 103 Sample_01_pos.mzML 461861.53 0 211.143882330612 1.1725975 104 Sample_01_pos.mzML 66500.58 0 367.2087928080393 1.1786896 106 Sample_01_pos.mzML 22999.66 0 164.07039862833477 1.1870936 107 Sample_01_pos.mzML 53409.707 0 245.1281492380409 1.1915327 108 Sample_01_pos.mzML 17887.61 0 284.13905400436323 1.1924504 110 Sample_01_pos.mzML 14101.137 0 230.2476229409027 1.208052 111 Sample_01_pos.mzML 0.0 0 231.2509189682441 1.2119467 113 Sample_01_pos.mzML 35249.887 0 245.1282150522416 1.2145875 114 Sample_01_pos.mzML 54416.668 0 197.1282601988709 1.232969 115 Sample_01_pos.mzML 26563.53 0 200.23706200725795 1.2285993 116 Sample_01_pos.mzML 14208.769 0 402.3573877818645 1.2316772 117 Sample_01_pos.mzML 26281.291 0 144.04758008856655 1.2390124 119 Sample_01_pos.mzML 23378.13 0 284.1390667992057 1.1856359 120 Sample_01_pos.mzML 25219.293 0 110.05986025284652 1.3090072 121 Sample_01_pos.mzML 22683.6 0 156.10173858023458 1.2697691 122 Sample_01_pos.mzML 28706.54 0 590.2061363974616 1.27046 123 Sample_01_pos.mzML 20198.627 0 138.09113936072484 1.286875 124 Sample_01_pos.mzML 165895.78 0 96.0442997411288 1.286875 125 Sample_01_pos.mzML 0.0 0 162.06601688304164 1.2898526 127 Sample_01_pos.mzML 17655.662 0 170.11734099333302 1.2949688 128 Sample_01_pos.mzML 18619.662 0 210.1097480469689 1.3193958 129 Sample_01_pos.mzML 333882.6 0 146.98014902199242 1.2979198 130 Sample_01_pos.mzML 55934.355 0 197.12825593496416 1.2959038 131 Sample_01_pos.mzML 757146.56 0 144.98196187706563 1.3213226 135 Sample_01_pos.mzML 22469.322 0 169.07576992147565 1.3398076 137 Sample_01_pos.mzML 75062.65 0 246.1519543589688 1.3437899 138 Sample_01_pos.mzML 79830.55 0 195.11265710236808 1.3443106 140 Sample_01_pos.mzML 6217.4805 0 154.0860441472675 1.3451465 142 Sample_01_pos.mzML 84490.33 0 110.0598549901638 1.3488079 148 Sample_01_pos.mzML 77155.016 0 243.14891618061824 1.3506924 151 Sample_01_pos.mzML 221198.27 0 126.05477443803215 1.3522042 152 Sample_01_pos.mzML 131823.19 0 100.07552017645202 1.3522406 156 Sample_01_pos.mzML 0.0 0 283.12204191444454 1.3535328 166 Sample_01_pos.mzML 665684.44 0 298.0965493713124 1.3567747 167 Sample_01_pos.mzML 165828.42 0 227.17513409439653 1.3601131 170 Sample_01_pos.mzML 103317.64 0 239.1486489095845 1.3637681 171 Sample_01_pos.mzML 24030.77 0 332.20810646332137 1.3653196 173 Sample_01_pos.mzML 148775.38 0 331.2046411437328 1.3668481 175 Sample_01_pos.mzML 18673.69 0 353.18635058440617 1.3700385 177 Sample_01_pos.mzML 77500.38 0 124.08674078601246 1.378172 178 Sample_01_pos.mzML 1079948.1 0 123.05520806435112 1.3835589 181 Sample_01_pos.mzML 77557.125 0 224.07373638627203 1.3882531 182 Sample_01_pos.mzML 170389.81 0 195.1224565621741 1.3905834 184 Sample_01_pos.mzML 11299.095 0 210.1097363228984 1.3884922 187 Sample_01_pos.mzML 0.0 0 283.1220435150896 1.3583255 190 Sample_01_pos.mzML 78817.875 0 195.11287983767883 1.3899492 191 Sample_01_pos.mzML 57087.547 0 249.13438273444345 1.4200606 192 Sample_01_pos.mzML 0.0 0 105.06971063859694 1.4354923 193 Sample_01_pos.mzML 9690.948 0 393.28554314722027 1.3910813 195 Sample_01_pos.mzML 68296.69 0 124.08674995537856 1.3871161 196 Sample_01_pos.mzML 0.0 0 393.28567548041735 1.4236475 197 Sample_01_pos.mzML 27721.908 0 151.09631717250656 1.4888855 198 Sample_01_pos.mzML 16506.23 0 348.14383698933153 1.4761354 199 Sample_01_pos.mzML 23269.592 0 375.0811540275393 1.489473 201 Sample_01_pos.mzML 5614.8154 0 353.0992471828444 1.4867625 202 Sample_01_pos.mzML 0.0 0 337.03648815326005 1.5395262 203 Sample_01_pos.mzML 0.0 0 321.06256590229526 1.5395222 204 Sample_01_pos.mzML 13014.446 0 298.0966397086858 1.6940964 205 Sample_01_pos.mzML 39211.125 0 190.08951118437503 1.7135324 206 Sample_01_pos.mzML 163794.52 0 144.98195244122175 1.9972055 207 Sample_01_pos.mzML 116522.26 0 190.0894178152409 1.9916908 208 Sample_01_pos.mzML 29105.998 0 146.08097871921322 1.9896737 209 Sample_01_pos.mzML 420811.97 0 267.1449176772506 1.9950703 210 Sample_01_pos.mzML 157680.34 0 152.07041948711262 2.0314512 211 Sample_01_pos.mzML 3186332.2 0 170.08106776554337 2.0327005 212 Sample_01_pos.mzML 261902.69 0 171.08430196994564 2.037283 213 Sample_01_pos.mzML 0.0 0 331.2046255896961 2.049584 214 Sample_01_pos.mzML 39387.62 0 212.10276003144267 2.2255604 215 Sample_01_pos.mzML 333610.72 0 176.07386576343754 2.2393477 216 Sample_01_pos.mzML 0.0 0 395.1961437435049 2.25555 217 Sample_01_pos.mzML 22877.053 0 171.07623002808543 2.4603689 218 Sample_01_pos.mzML 407354.94 0 136.06166758377617 2.4618294 219 Sample_01_pos.mzML 30898.938 0 162.99758522735817 2.464494 220 Sample_01_pos.mzML 108565.32 0 176.07378886026444 2.466533 221 Sample_01_pos.mzML 113386.37 0 212.1027452521681 2.4712422 222 Sample_01_pos.mzML 65799.086 0 234.0846850483877 2.4712543 224 Sample_01_pos.mzML 112617.44 0 251.1500001009124 2.490054 225 Sample_01_pos.mzML 222326.83 0 170.08096549677393 2.497286 227 Sample_01_pos.mzML 202016.81 0 242.09971739527816 2.5311325 228 Sample_01_pos.mzML 456564.6 0 220.11781080236509 2.5324228 229 Sample_01_pos.mzML 38899.297 0 221.1210520053073 2.5324228 231 Sample_01_pos.mzML 610533.25 0 137.04566565562763 2.61302 232 Sample_01_pos.mzML 245791.77 0 167.09253949646646 2.6150174 233 Sample_01_pos.mzML 548370.0 0 159.02756167849526 2.6262987 234 Sample_01_pos.mzML 267862.4 0 175.00145180579432 2.6233456 235 Sample_01_pos.mzML 0.0 0 83.06022538821384 2.6915092 236 Sample_01_pos.mzML 371126.66 0 159.02754096432605 2.6711876 238 Sample_01_pos.mzML 1254503.1 0 269.1074820276356 2.733594 239 Sample_01_pos.mzML 146300.1 0 136.06159150189967 2.7327607 240 Sample_01_pos.mzML 12204902.0 0 268.103853951424 2.735583 241 Sample_01_pos.mzML 59196.375 0 124.0867204867036 2.7465951 242 Sample_01_pos.mzML 56026.105 0 206.04549179878435 2.7396824 246 Sample_01_pos.mzML 111681.71 0 169.05813466701616 2.7622888 247 Sample_01_pos.mzML 23498.887 0 147.07620312825443 2.7634428 249 Sample_01_pos.mzML 122162.94 0 251.14995309511343 2.8096216 250 Sample_01_pos.mzML 57154.062 0 124.08672952186082 2.7857726 251 Sample_01_pos.mzML 77330.945 0 166.07212983034697 2.8522704 252 Sample_01_pos.mzML 32525.227 0 86.09628372212455 2.8936963 253 Sample_01_pos.mzML 326976.06 0 162.0582063782167 2.922553 254 Sample_01_pos.mzML 38563.004 0 158.08114129553522 3.0417824 255 Sample_01_pos.mzML 49157.39 0 124.03925425687731 3.3331635 256 Sample_01_pos.mzML 15320.162 0 131.11768354659372 3.5462894 259 Sample_01_pos.mzML 0.0 0 147.03008748928804 3.6102345 265 Sample_01_pos.mzML 36483.45 0 237.1342771902892 3.554259 268 Sample_01_pos.mzML 2984333.0 0 104.10690922607166 3.615613 270 Sample_01_pos.mzML 152137.16 0 105.1101628079843 3.5773337 276 Sample_01_pos.mzML 0.0 0 356.99219855042145 3.6094525 277 Sample_01_pos.mzML 440823.53 0 257.10061043785606 3.6021051 278 Sample_01_pos.mzML 1274985.2 0 235.11878342337727 3.6104362 279 Sample_01_pos.mzML 2753697.5 0 104.10691140742011 3.6254394 281 Sample_01_pos.mzML 557485.7 0 146.02691561369866 3.617239 282 Sample_01_pos.mzML 190489.5 0 189.99069726862683 3.6186962 284 Sample_01_pos.mzML 2574554.2 0 104.10691151684348 3.6318386 285 Sample_01_pos.mzML 117950.24 0 105.11016638499711 3.6433537 286 Sample_01_pos.mzML 347809.3 0 270.1921498403816 3.6826499 289 Sample_01_pos.mzML 74563.91 0 307.0436219791634 3.8853528 297 Sample_01_pos.mzML 180205.19 0 291.0697298907951 3.9010928 298 Sample_01_pos.mzML 128544.0 0 257.1006228106187 3.904753 299 Sample_01_pos.mzML 119247.086 0 270.1921248236023 3.9918861 305 Sample_01_pos.mzML 1109980.5 0 235.11874356344256 3.9848194 307 Sample_01_pos.mzML 409190.94 0 146.02687268396707 3.9806588 308 Sample_01_pos.mzML 222747.02 0 314.09137691435643 3.989151 310 Sample_01_pos.mzML 84228.555 0 269.0877500718245 3.9971244 311 Sample_01_pos.mzML 270516.94 0 270.1921288646996 3.9987442 313 Sample_01_pos.mzML 99635.74 0 137.04561392556303 4.0023994 314 Sample_01_pos.mzML 111874.24 0 268.1037209235785 4.003829 315 Sample_01_pos.mzML 48396.355 0 163.05335215225128 4.0424848 317 Sample_01_pos.mzML 1416446.2 0 152.05653168599866 4.009559 321 Sample_01_pos.mzML 2357219.0 0 148.04256672639687 4.012652 324 Sample_01_pos.mzML 115543.664 0 213.08672615987487 4.018884 334 Sample_01_pos.mzML 170975.16 0 245.18571573726572 4.136272 345 Sample_01_pos.mzML 99146.055 0 134.11737910350053 4.1628757 348 Sample_01_pos.mzML 140187.95 0 163.0533777453292 4.1968255 349 Sample_01_pos.mzML 0.0 0 137.04558546014155 4.19949 352 Sample_01_pos.mzML 55061.59 0 268.1037602942401 4.2119775 353 Sample_01_pos.mzML 63268.48 0 229.118040650464 4.229315 354 Sample_01_pos.mzML 108533.88 0 245.18574102113112 4.2097106 356 Sample_01_pos.mzML 36879.883 0 200.10278438614216 4.2574863 357 Sample_01_pos.mzML 46600.965 0 268.1037589105309 4.217879 358 Sample_01_pos.mzML 10319.663 0 270.1922424181455 4.279421 359 Sample_01_pos.mzML 0.0 0 189.99075931378115 4.327314 360 Sample_01_pos.mzML 35898.438 0 134.11743645494067 4.2845025 361 Sample_01_pos.mzML 0.0 0 242.18611577228643 4.3433714 362 Sample_01_pos.mzML 0.0 0 304.1765208263302 4.7402077 363 Sample_01_pos.mzML 0.0 0 172.13294299742864 4.7589955 364 Sample_01_pos.mzML 0.0 0 189.9905913432856 4.772744 367 Sample_01_pos.mzML 131797.97 0 159.09139985691644 4.8108883 371 Sample_01_pos.mzML 1260872.2 0 120.08061352243423 4.8438725 372 Sample_01_pos.mzML 934979.1 0 167.08935800092092 4.845658 373 Sample_01_pos.mzML 995688.8 0 266.07438437754746 4.819725 375 Sample_01_pos.mzML 524281.94 0 249.0607079423268 4.8210406 378 Sample_01_pos.mzML 2723946.2 0 205.09695945152035 4.8233333 380 Sample_01_pos.mzML 2009785.9 0 188.07038343865275 4.8246927 384 Sample_01_pos.mzML 1602007.1 0 188.07038967593124 4.8265615 385 Sample_01_pos.mzML 910358.7 0 266.07438495902727 4.8215938 390 Sample_01_pos.mzML 13985201.0 0 166.08609631348253 4.846532 391 Sample_01_pos.mzML 66429.055 0 146.02679892343698 4.84755 392 Sample_01_pos.mzML 1830836.0 0 120.08061021815044 4.850492 393 Sample_01_pos.mzML 3021863.2 0 176.11331845539647 4.850525 405 Sample_01_pos.mzML 10375.035 0 124.08671779184456 4.861618 406 Sample_01_pos.mzML 298154.03 0 242.18597353886392 4.893828 414 Sample_01_pos.mzML 994889.9 0 167.0893640074416 4.8583703 415 Sample_01_pos.mzML 1214350.4 0 188.070370874549 4.853523 432 Sample_01_pos.mzML 7836900.0 0 132.10181358254428 5.070786 439 Sample_01_pos.mzML 2102391.5 0 134.10843493246685 5.0749183 440 Sample_01_pos.mzML 38952012.0 0 133.10514633013727 5.075796 441 Sample_01_pos.mzML 11583594.0 0 132.10180873486888 5.0757966 442 Sample_01_pos.mzML 1162868.2 0 254.16086399050823 5.076235 444 Sample_01_pos.mzML 7126288.5 0 86.09634855868607 5.0771127 460 Sample_01_pos.mzML 949398.2 0 231.1700284982437 5.157729 462 Sample_01_pos.mzML 5907885.0 0 86.09635085819752 5.0803976 464 Sample_01_pos.mzML 9502658.0 0 132.1018131478376 5.079959 465 Sample_01_pos.mzML 32067944.0 0 133.10514770247934 5.0799584 466 Sample_01_pos.mzML 1745450.9 0 134.10843686992123 5.079081 471 Sample_01_pos.mzML 1024241.94 0 231.17003514728088 5.1624675 472 Sample_01_pos.mzML 469437.28 0 177.068867688938 5.0954223 476 Sample_01_pos.mzML 73097.56 0 146.02680791872297 5.2020907 482 Sample_01_pos.mzML 404027.8 0 170.06097130330835 5.208097 485 Sample_01_pos.mzML 298210.1 0 322.054438749271 5.261234 486 Sample_01_pos.mzML 771230.8 0 306.0806507387645 5.269045 487 Sample_01_pos.mzML 358717.9 0 284.09869474213104 5.2824006 490 Sample_01_pos.mzML 839112.4 0 254.1609829416835 5.2925267 498 Sample_01_pos.mzML 130253.35 0 228.1703774765928 5.428404 499 Sample_01_pos.mzML 800557.25 0 254.16093846752423 5.4288635 500 Sample_01_pos.mzML 119670.88 0 176.06557454370355 5.4312606 501 Sample_01_pos.mzML 848894.1 0 86.09634303157317 5.453327 502 Sample_01_pos.mzML 4659219.5 0 132.10179944532445 5.452833 505 Sample_01_pos.mzML 782124.3 0 133.10515142846097 5.4484563 506 Sample_01_pos.mzML 5181117.0 0 132.10179448037488 5.4554677 507 Sample_01_pos.mzML 961417.3 0 86.09633268244676 5.4559617 508 Sample_01_pos.mzML 82647.71 0 192.0394553458964 5.4579144 510 Sample_01_pos.mzML 819402.94 0 254.160928157678 5.431993 518 Sample_01_pos.mzML 386809.12 0 208.01345244401543 5.4915414 529 Sample_01_pos.mzML 982890.6 0 122.9244093086683 5.570595 530 Sample_01_pos.mzML 349843.9 0 458.7694151411931 5.5711894 532 Sample_01_pos.mzML 604712.6 0 206.88568577248728 5.572176 534 Sample_01_pos.mzML 375974.5 0 542.7307149004203 5.5728345 537 Sample_01_pos.mzML 1231705.8 0 290.8469756666516 5.574323 539 Sample_01_pos.mzML 349546.25 0 292.84486404160776 5.57543 546 Sample_01_pos.mzML 41486724.0 0 118.086136282161 5.6935368 547 Sample_01_pos.mzML 2196160.5 0 119.08943078666724 5.6957307 549 Sample_01_pos.mzML 502385.66 0 158.03999253356488 5.6885877 558 Sample_01_pos.mzML 47532148.0 0 118.08614084735753 5.695406 559 Sample_01_pos.mzML 6719396.5 0 156.0419594783285 5.700437 561 Sample_01_pos.mzML 81814.016 0 133.10503503876865 5.7478676 563 Sample_01_pos.mzML 2514752.2 0 119.08942925468972 5.6976 564 Sample_01_pos.mzML 3212278.8 0 235.1649571996301 5.6980495 573 Sample_01_pos.mzML 7335094.5 0 273.1208172600843 5.7226243 586 Sample_01_pos.mzML 1183609.6 0 150.0580937823089 5.736668 587 Sample_01_pos.mzML 2203002.2 0 257.14684101952525 5.737107 591 Sample_01_pos.mzML 1593384.0 0 163.05338891159045 5.738424 603 Sample_01_pos.mzML 1135682.6 0 107.0714836044441 5.7414956 604 Sample_01_pos.mzML 2408478.0 0 136.05042953346918 5.741495 606 Sample_01_pos.mzML 20136424.0 0 153.07702607515895 5.742373 609 Sample_01_pos.mzML 464765.2 0 201.00917974363804 5.743689 617 Sample_01_pos.mzML 5204784.5 0 156.04195771190652 5.7104034 621 Sample_01_pos.mzML 7032142.5 0 273.12082086293464 5.7262015 622 Sample_01_pos.mzML 197565.38 0 132.10170818206214 5.7288346 628 Sample_01_pos.mzML 219284.4 0 133.10504212972964 5.765699 640 Sample_01_pos.mzML 590995.56 0 217.15447541961305 5.817688 659 Sample_01_pos.mzML 191826.78 0 203.13879992661973 5.825148 660 Sample_01_pos.mzML 770672.2 0 215.13885933944832 5.825148 674 Sample_01_pos.mzML 229350.4 0 138.0547721930798 5.8345313 678 Sample_01_pos.mzML 158667.88 0 227.15804343513688 5.843843 679 Sample_01_pos.mzML 1389839.0 0 226.1548276939271 5.84388 683 Sample_01_pos.mzML 2794665.0 0 118.08618244730933 5.818649 685 Sample_01_pos.mzML 139819.69 0 197.040867463821 5.8871245 686 Sample_01_pos.mzML 161638.6 0 320.17136170937744 5.910408 687 Sample_01_pos.mzML 814692.06 0 115.08651467149711 5.9351325 688 Sample_01_pos.mzML 274944.38 0 137.06841851907743 5.936834 690 Sample_01_pos.mzML 9895.826 0 265.11149031603264 5.9485784 691 Sample_01_pos.mzML 78208.07 0 228.14534892007973 6.0084243 693 Sample_01_pos.mzML 113172.625 0 226.1548933204581 6.043236 695 Sample_01_pos.mzML 152144.72 0 228.1454157073448 6.1668887 698 Sample_01_pos.mzML 766120.4 0 118.08615791324712 6.2560725 699 Sample_01_pos.mzML 83256.12 0 132.10171546003687 6.300898 700 Sample_01_pos.mzML 134082.5 0 133.10509747646654 6.288588 701 Sample_01_pos.mzML 135155.17 0 153.07699495948592 6.2302094 708 Sample_01_pos.mzML 345790.66 0 298.02467259368444 6.2890944 710 Sample_01_pos.mzML 648952.44 0 162.0499397667938 6.361732 711 Sample_01_pos.mzML 1133900.4 0 118.08612947184405 6.2692437 713 Sample_01_pos.mzML 2802499.5 0 90.976550099308 6.411321 717 Sample_01_pos.mzML 143471.75 0 133.10506197129337 6.3418784 723 Sample_01_pos.mzML 27742.72 0 132.10170322970416 6.3238697 729 Sample_01_pos.mzML 5989545.0 0 430.9133167798752 6.445311 730 Sample_01_pos.mzML 4020552.0 0 498.9006283059093 6.4422398 733 Sample_01_pos.mzML 3135988.2 0 566.887996552571 6.4444346 742 Sample_01_pos.mzML 733917.5 0 162.049928906656 6.3924384 743 Sample_01_pos.mzML 3474028.0 0 566.8879974709893 6.465941 744 Sample_01_pos.mzML 167099.28 0 298.0246176631577 6.392486 746 Sample_01_pos.mzML 4452195.0 0 90.9765516798645 6.4571624 752 Sample_01_pos.mzML 6916074.5 0 362.925952839678 6.459356 753 Sample_01_pos.mzML 6970629.0 0 430.91332032039486 6.4764752 754 Sample_01_pos.mzML 4675665.0 0 498.9006293329196 6.464187 760 Sample_01_pos.mzML 6648378.0 0 430.9133173583412 6.47867 763 Sample_01_pos.mzML 8803423.0 0 362.9259521619515 6.46155 768 Sample_01_pos.mzML 6109181.5 0 498.9006350513378 6.4663815 772 Sample_01_pos.mzML 4681932.5 0 566.8880079908274 6.4703307 774 Sample_01_pos.mzML 39290132.0 0 226.95130605314407 6.4734025 776 Sample_01_pos.mzML 5884173.5 0 158.96391743043827 6.475264 777 Sample_01_pos.mzML 5779572.5 0 90.97655184812557 6.4699974 783 Sample_01_pos.mzML 8991875.0 0 430.913321997725 6.485361 797 Sample_01_pos.mzML 2750222.5 0 498.9006368424921 6.481851 798 Sample_01_pos.mzML 2107713.0 0 566.8880087807638 6.490188 801 Sample_01_pos.mzML 1358352.9 0 116.07045588148864 6.535134 806 Sample_01_pos.mzML 2007820.0 0 90.97654696859416 6.497805 807 Sample_01_pos.mzML 138449.75 0 133.1050813977587 6.57356 820 Sample_01_pos.mzML 79769.484 0 258.15586908713766 6.8444924 821 Sample_01_pos.mzML 127829.52 0 301.96555337204217 6.8449597 822 Sample_01_pos.mzML 356122.2 0 214.12973993847905 6.8736024 826 Sample_01_pos.mzML 222288.61 0 376.979765282261 6.890302 833 Sample_01_pos.mzML 221184.67 0 308.9923908286443 6.898309 835 Sample_01_pos.mzML 92905.67 0 173.09190815945408 6.8987 836 Sample_01_pos.mzML 816038.0 0 165.99085411729348 6.9019084 837 Sample_01_pos.mzML 114009.25 0 451.9939689509807 6.901796 842 Sample_01_pos.mzML 466050.0 0 122.02695576262852 6.907451 845 Sample_01_pos.mzML 36250.703 0 241.0309804045192 6.929818 848 Sample_01_pos.mzML 152628.94 0 118.08612324531742 6.906456 850 Sample_01_pos.mzML 462035.4 0 122.02695713603926 6.910003 853 Sample_01_pos.mzML 102201.33 0 208.1806931005108 6.967325 857 Sample_01_pos.mzML 48382.734 0 226.95139637449867 7.056883 858 Sample_01_pos.mzML 78024.836 0 258.156014085099 7.159303 859 Sample_01_pos.mzML 26832.146 0 104.07052981519426 7.1661315 860 Sample_01_pos.mzML 61570.523 0 226.9514186720039 7.1463103 861 Sample_01_pos.mzML 0.0 0 245.9476010251665 7.220245 862 Sample_01_pos.mzML 0.0 0 201.9837410781343 7.2195973 863 Sample_01_pos.mzML 0.0 0 267.92949707305337 7.2172837 864 Sample_01_pos.mzML 91826.414 0 90.05496978874557 7.6612244 865 Sample_01_pos.mzML 37385.926 0 244.140503738826 7.6647267 866 Sample_01_pos.mzML 15616.823 0 230.14997669311865 7.6839995 867 Sample_01_pos.mzML 13381.674 0 134.01883779940704 7.6638207 868 Sample_01_pos.mzML 1629.6493 0 328.0301594961641 7.9222236 869 Sample_01_pos.mzML 27636.453 0 306.048316086854 7.914533 870 Sample_01_pos.mzML 35607.3 0 285.1667082325685 7.933275 871 Sample_01_pos.mzML 34551.855 0 387.2709948049544 7.9394317 872 Sample_01_pos.mzML 53180.87 0 187.10747655608205 7.93947 877 Sample_01_pos.mzML 165169.77 0 197.0894356361632 7.961445 879 Sample_01_pos.mzML 753232.5 0 269.16060472372754 7.962421 880 Sample_01_pos.mzML 174894.75 0 346.05434588118914 7.9639306 881 Sample_01_pos.mzML 373737.47 0 271.1510202898235 7.9642925 890 Sample_01_pos.mzML 200301.52 0 129.06566925010313 7.9716926 891 Sample_01_pos.mzML 1030657.5 0 120.06545039741656 7.972265 894 Sample_01_pos.mzML 314558.62 0 164.02922326766455 7.9790225 895 Sample_01_pos.mzML 78365.4 0 133.10507612878197 7.9839897 896 Sample_01_pos.mzML 22799.246 0 153.07696300828565 7.981729 899 Sample_01_pos.mzML 200301.52 0 129.06566954676447 7.973686 901 Sample_01_pos.mzML 831044.44 0 233.10652019611663 7.9997315 904 Sample_01_pos.mzML 291293.62 0 217.12933749214804 8.017409 909 Sample_01_pos.mzML 37642.363 0 205.11810687589983 8.066115 910 Sample_01_pos.mzML 79259.16 0 176.09158435507644 8.110695 911 Sample_01_pos.mzML 57152.547 0 120.06538793621888 8.095319 912 Sample_01_pos.mzML 245586.3 0 216.13414402314515 8.137809 913 Sample_01_pos.mzML 64626.523 0 254.110947332547 8.13853 918 Sample_01_pos.mzML 53930.516 0 142.09734305994664 8.155034 919 Sample_01_pos.mzML 48803.082 0 247.12867941295664 8.191632 920 Sample_01_pos.mzML 66424.68 0 203.11372007085788 8.203923 921 Sample_01_pos.mzML 24758.652 0 246.1446736791892 8.23056 922 Sample_01_pos.mzML 86895.92 0 261.1443564364716 8.234616 923 Sample_01_pos.mzML 18427.707 0 283.12626085214976 8.235302 924 Sample_01_pos.mzML 88066.93 0 269.16066025719937 8.241423 925 Sample_01_pos.mzML 7089.7847 0 226.9513300667016 8.252555 926 Sample_01_pos.mzML 0.0 0 118.0861033091863 8.375219 927 Sample_01_pos.mzML 0.0 0 244.0942511712273 8.360445 928 Sample_01_pos.mzML 0.0 0 201.1788423536045 8.363343 929 Sample_01_pos.mzML 106266.875 0 200.1756825779179 8.360786 930 Sample_01_pos.mzML 0.0 0 226.9513188023629 8.36787 931 Sample_01_pos.mzML 0.0 0 217.1181167414713 8.373118 932 Sample_01_pos.mzML 0.0 0 265.12695885890884 8.393177 933 Sample_01_pos.mzML 0.0 0 365.105201429741 8.39588 934 Sample_01_pos.mzML 0.0 0 157.16978702908858 8.416748 935 Sample_01_pos.mzML 0.0 0 205.11817679551444 8.449443 936 Sample_01_pos.mzML 33181.137 0 166.0531984049978 8.511632 937 Sample_01_pos.mzML 0.0 0 210.01689084731828 8.517229 938 Sample_01_pos.mzML 39580.438 0 574.1288443930529 8.598261 939 Sample_01_pos.mzML 79287.734 0 188.03499184859004 8.604352 940 Sample_01_pos.mzML 29164.791 0 166.05302736240878 8.598813 941 Sample_01_pos.mzML 0.0 0 147.07628217729822 8.606629 942 Sample_01_pos.mzML 0.0 0 169.0581892689462 8.606629 944 Sample_01_pos.mzML 126292.89 0 175.10751430696803 8.61571 945 Sample_01_pos.mzML 163035.36 0 258.14458594133026 8.616849 949 Sample_01_pos.mzML 570715.56 0 106.0497993519311 8.619147 951 Sample_01_pos.mzML 69131.49 0 227.09996497608665 8.619727 953 Sample_01_pos.mzML 96294.52 0 365.1050858603464 8.622464 954 Sample_01_pos.mzML 64676.273 0 277.03801398466214 8.624969 957 Sample_01_pos.mzML 475510.2 0 230.1133787668119 8.627342 958 Sample_01_pos.mzML 97487.97 0 150.01357254868546 8.627431 964 Sample_01_pos.mzML 152180.61 0 268.12651808851587 8.64582 965 Sample_01_pos.mzML 78327.95 0 246.14460651871127 8.647682 966 Sample_01_pos.mzML 13201.54 0 118.0860713755489 8.666564 970 Sample_01_pos.mzML 103333.0 0 331.0597083994683 8.728163 971 Sample_01_pos.mzML 291006.22 0 177.02446857919654 8.73112 974 Sample_01_pos.mzML 563275.06 0 155.04258957375788 8.740393 975 Sample_01_pos.mzML 465106.75 0 230.1133464625389 8.74039 979 Sample_01_pos.mzML 859226.25 0 133.0606595880094 8.745018 980 Sample_01_pos.mzML 250404.7 0 286.15069933735964 8.763644 982 Sample_01_pos.mzML 220606.86 0 247.12860338588263 8.766978 988 Sample_01_pos.mzML 138605.67 0 361.1977693027184 8.791953 994 Sample_01_pos.mzML 999463.44 0 296.0656615542094 8.852614 995 Sample_01_pos.mzML 3770759.8 0 280.0918526920189 8.8539295 998 Sample_01_pos.mzML 1494423.8 0 537.1943231163153 8.85701 999 Sample_01_pos.mzML 1186147.5 0 259.11326523868405 8.8587675 1003 Sample_01_pos.mzML 13910173.0 0 258.1099364516471 8.860084 1009 Sample_01_pos.mzML 57059.977 0 153.07693685054173 8.865781 1016 Sample_01_pos.mzML 424596.34 0 322.1869685406384 8.8856325 1019 Sample_01_pos.mzML 302826.9 0 348.0696595688975 8.905177 1020 Sample_01_pos.mzML 126056.72 0 156.14936280240056 8.929667 1023 Sample_01_pos.mzML 237706.94 0 255.14499651185736 8.961529 1026 Sample_01_pos.mzML 113020.516 0 198.0847628014792 8.995751 1027 Sample_01_pos.mzML 63432.41 0 176.1027959719887 8.99959 1029 Sample_01_pos.mzML 1081828.6 0 288.2028931457914 9.03741 1030 Sample_01_pos.mzML 128805.22 0 289.2065919245926 9.038054 1031 Sample_01_pos.mzML 77428.4 0 168.076587656824 9.039931 1033 Sample_01_pos.mzML 160784.3 0 229.12936404392448 9.058728 1034 Sample_01_pos.mzML 73167.125 0 251.11128458048435 9.060653 1036 Sample_01_pos.mzML 156899.69 0 294.18102755142905 9.065932 1039 Sample_01_pos.mzML 27929.363 0 258.1447309396798 9.109013 1040 Sample_01_pos.mzML 6857.376 0 365.1052316626935 9.099115 1043 Sample_01_pos.mzML 15291.694 0 258.14458259952363 9.161549 1045 Sample_01_pos.mzML 58438.34 0 216.0629531114795 9.191652 1048 Sample_01_pos.mzML 29271.674 0 238.04483266653563 9.194025 1051 Sample_01_pos.mzML 322908.7 0 269.1604872451791 9.198629 1053 Sample_01_pos.mzML 2052825.8 0 260.19665861930304 9.201791 1054 Sample_01_pos.mzML 248027.92 0 261.20006499413546 9.202691 1067 Sample_01_pos.mzML 348912.1 0 149.06356867672196 9.225198 1069 Sample_01_pos.mzML 896976.8 0 130.04972503456412 9.2256365 1071 Sample_01_pos.mzML 6346767.0 0 148.06031941955982 9.226085 1079 Sample_01_pos.mzML 2944066.5 0 288.2028125859761 9.241891 1085 Sample_01_pos.mzML 329350.9 0 221.112942320711 9.250683 1096 Sample_01_pos.mzML 305613.84 0 366.10847337323975 9.300052 1099 Sample_01_pos.mzML 2293687.0 0 365.1051586729516 9.302187 1100 Sample_01_pos.mzML 4180.6006 0 118.08606206806408 9.277427 1102 Sample_01_pos.mzML 236339.06 0 360.149656817636 9.311521 1107 Sample_01_pos.mzML 214883.0 0 359.26492669564453 9.318966 1111 Sample_01_pos.mzML 1016314.0 0 260.1967063364553 9.344571 1112 Sample_01_pos.mzML 136758.56 0 261.2001203040639 9.346213 1113 Sample_01_pos.mzML 42544.19 0 433.0925277310742 9.346755 1118 Sample_01_pos.mzML 72751.98 0 345.22421788168214 9.386636 1121 Sample_01_pos.mzML 222476.6 0 203.1501620783906 9.454228 1122 Sample_01_pos.mzML 17020.955 0 188.1755993548724 9.460129 1124 Sample_01_pos.mzML 45322.688 0 294.16712720772256 9.486702 1125 Sample_01_pos.mzML 7979.4624 0 335.0339660433254 9.493368 1126 Sample_01_pos.mzML 54916.77 0 313.0520546222224 9.502534 1127 Sample_01_pos.mzML 26880.037 0 289.206630553843 9.5099125 1128 Sample_01_pos.mzML 276710.6 0 288.2029258528593 9.509217 1131 Sample_01_pos.mzML 46820.92 0 218.18619761371053 9.525903 1132 Sample_01_pos.mzML 34184.977 0 306.06162796412696 9.547405 1133 Sample_01_pos.mzML 13120.798 0 188.17558642399584 9.518045 1134 Sample_01_pos.mzML 29138.342 0 260.1967002040386 9.570424 1135 Sample_01_pos.mzML 11100.672 0 306.1592562972893 9.571097 1136 Sample_01_pos.mzML 586726.4 0 284.0796833657358 9.646189 1137 Sample_01_pos.mzML 48036.67 0 324.0588200527568 9.649519 1138 Sample_01_pos.mzML 58682.234 0 219.09737415252712 9.655475 1139 Sample_01_pos.mzML 120238.734 0 148.0602834766663 9.6562 1141 Sample_01_pos.mzML 30898.123 0 154.01670024274702 9.662093 1143 Sample_01_pos.mzML 0.0 0 195.04322321426469 9.665049 1144 Sample_01_pos.mzML 216447.58 0 290.1344649431372 9.675607 1145 Sample_01_pos.mzML 74440.375 0 283.04150739594115 9.690609 1149 Sample_01_pos.mzML 97899.984 0 207.0973923543056 9.729797 1150 Sample_01_pos.mzML 0.0 0 308.09087390128616 9.73265 1151 Sample_01_pos.mzML 41133.73 0 613.1510753489329 9.735156 1155 Sample_01_pos.mzML 33704.285 0 317.2180748441611 9.774086 1157 Sample_01_pos.mzML 285701.25 0 260.1966837829511 9.806193 1159 Sample_01_pos.mzML 73102.516 0 345.2493190320606 9.83373 1163 Sample_01_pos.mzML 105412.8 0 282.1180701017672 9.848723 1164 Sample_01_pos.mzML 172485.58 0 219.0973471625064 9.852621 1165 Sample_01_pos.mzML 129322.86 0 248.12386819185812 9.854269 1167 Sample_01_pos.mzML 190365.95 0 262.90666776551785 9.858233 1168 Sample_01_pos.mzML 173805.75 0 284.0795670488393 9.863204 1171 Sample_01_pos.mzML 1019007.75 0 134.04468296663256 9.863805 1172 Sample_01_pos.mzML 64384.938 0 142.94789363209495 9.862807 1174 Sample_01_pos.mzML 150957.66 0 249.107884486856 9.871725 1175 Sample_01_pos.mzML 721443.6 0 274.18716937581314 9.873346 1181 Sample_01_pos.mzML 182821.27 0 338.1819343706756 9.884996 1185 Sample_01_pos.mzML 154683.08 0 175.14390259797082 9.938897 1187 Sample_01_pos.mzML 6125311.5 0 156.07665515382126 9.965302 1188 Sample_01_pos.mzML 164486.67 0 178.05845818353518 9.965835 1189 Sample_01_pos.mzML 311921.56 0 110.07110800895867 9.96585 1192 Sample_01_pos.mzML 395487.84 0 157.07990648632463 9.970797 1195 Sample_01_pos.mzML 263312.0 0 246.1809879902873 9.996257 1201 Sample_01_pos.mzML 92055.16 0 299.0363071280015 10.030114 1205 Sample_01_pos.mzML 116996.875 0 310.17584025335856 10.059572 1206 Sample_01_pos.mzML 86658.72 0 190.1628070441479 10.089722 1207 Sample_01_pos.mzML 998274.3 0 189.15962556992508 10.091929 1208 Sample_01_pos.mzML 98037.18 0 275.1908113067463 10.101804 1209 Sample_01_pos.mzML 930479.1 0 274.18718518067203 10.102931 1211 Sample_01_pos.mzML 475793.03 0 364.0649234803579 10.105504 1216 Sample_01_pos.mzML 429440.06 0 227.11370840600603 10.148948 1219 Sample_01_pos.mzML 0.0 0 195.0254494451458 10.179174 1220 Sample_01_pos.mzML 86995.33 0 323.0839267608916 10.180491 1224 Sample_01_pos.mzML 166722.39 0 237.05378657328663 10.185353 1229 Sample_01_pos.mzML 98825.45 0 259.12865594655494 10.204153 1234 Sample_01_pos.mzML 17734.502 0 235.09230901827425 10.252195 1239 Sample_01_pos.mzML 124223.836 0 472.2874612980231 10.308299 1242 Sample_01_pos.mzML 15394078.0 0 175.11882033505466 10.356683 1243 Sample_01_pos.mzML 486558.47 0 349.23023603947246 10.357158 1244 Sample_01_pos.mzML 168988.11 0 371.2121607007718 10.357639 1246 Sample_01_pos.mzML 980316.4 0 176.12211343714353 10.358672 1249 Sample_01_pos.mzML 280633.1 0 197.1006803958095 10.360531 1251 Sample_01_pos.mzML 88631.336 0 130.09729229124068 10.370269 1252 Sample_01_pos.mzML 444478.12 0 246.18095223184145 10.376628 1254 Sample_01_pos.mzML 24822.623 0 364.0649180883176 10.324018 1256 Sample_01_pos.mzML 67025.65 0 272.1714484795354 10.424933 1258 Sample_01_pos.mzML 197812.88 0 257.1242348570159 10.465497 1259 Sample_01_pos.mzML 98425.016 0 285.2030842021909 10.469291 1260 Sample_01_pos.mzML 114681.516 0 156.0765780966775 10.469985 1261 Sample_01_pos.mzML 209033.77 0 442.74712460313145 10.470643 1263 Sample_01_pos.mzML 75445.09 0 347.228682719869 10.512813 1264 Sample_01_pos.mzML 69321.945 0 303.20249423925924 10.522915 1266 Sample_01_pos.mzML 67770.22 0 213.09809375538885 10.5390005 1267 Sample_01_pos.mzML 24750.271 0 589.1399646335841 10.551182 1271 Sample_01_pos.mzML 39727.926 0 156.07656270160743 10.643449 1272 Sample_01_pos.mzML 513384.78 0 175.11883104950437 10.63616 1276 Sample_01_pos.mzML 280178.47 0 148.11599366591082 10.651277 1278 Sample_01_pos.mzML 85818.31 0 191.07647587262292 10.651727 1279 Sample_01_pos.mzML 787207.56 0 130.0861855729082 10.652225 1280 Sample_01_pos.mzML 110998.65 0 84.08064494962149 10.652238 1281 Sample_01_pos.mzML 4317683.0 0 147.1127199612054 10.652242 1283 Sample_01_pos.mzML 86039.91 0 169.09453102570544 10.654132 1289 Sample_01_pos.mzML 122488.336 0 244.16534762312872 10.664137 1290 Sample_01_pos.mzML 112253.32 0 257.1969723050618 10.6713915 1293 Sample_01_pos.mzML 688371.5 0 133.09706985780863 10.722098 1295 Sample_01_pos.mzML 295303.75 0 116.07050095631276 10.722583 1296 Sample_01_pos.mzML 78899.695 0 489.2762008111585 10.794624 1298 Sample_01_pos.mzML 165338.02 0 175.11881153058343 10.751388 1310 Sample_01_pos.mzML 757863.7 0 304.03932259922425 10.842536 1317 Sample_01_pos.mzML 1167098.1 0 283.06144442783113 10.857608 1318 Sample_01_pos.mzML 508846.78 0 563.1074885117305 10.858048 1320 Sample_01_pos.mzML 14590020.0 0 282.05750541230793 10.858509 1321 Sample_01_pos.mzML 1258969.9 0 284.0531507149704 10.858556 1324 Sample_01_pos.mzML 231211.69 0 163.05334706421047 10.861239 1330 Sample_01_pos.mzML 224579.52 0 237.0359682970429 10.877342 1334 Sample_01_pos.mzML 187584.42 0 175.1187171353388 10.861039 1336 Sample_01_pos.mzML 68328.73 0 241.03078940211464 10.946838 1342 Sample_01_pos.mzML 1709346.6 0 246.1559001157775 10.92701 1345 Sample_01_pos.mzML 157035.67 0 247.15931781669644 10.927976 1346 Sample_01_pos.mzML 134294.1 0 243.1085915333856 10.930374 1348 Sample_01_pos.mzML 147450.12 0 163.0534682624983 10.963395 1349 Sample_01_pos.mzML 85271.086 0 241.0308201955841 10.969333 1350 Sample_01_pos.mzML 12861.148 0 158.91554905353604 10.985007 1352 Sample_01_pos.mzML 24207.879 0 284.0795279906775 11.007104 1353 Sample_01_pos.mzML 25214.48 0 285.1191553590796 11.007634 1354 Sample_01_pos.mzML 41685.22 0 218.14977569757968 11.019916 1355 Sample_01_pos.mzML 124502.234 0 276.1666669024399 11.127444 1356 Sample_01_pos.mzML 0.0 0 277.17032556111366 11.130445 1360 Sample_01_pos.mzML 0.0 0 270.11951370352017 11.143098 1361 Sample_01_pos.mzML 28697.74 0 477.7683038765202 11.143561 1362 Sample_01_pos.mzML 47417.598 0 218.149918302188 11.197883 1364 Sample_01_pos.mzML 0.0 0 175.11883005279304 11.212697 1365 Sample_01_pos.mzML 10164.621 0 248.16044847300984 11.214851 1366 Sample_01_pos.mzML 0.0 0 241.03097143373472 11.219297 1367 Sample_01_pos.mzML 57061.88 0 232.14043462663736 11.221642 1369 Sample_01_pos.mzML 0.0 0 282.057543479596 11.168553 1370 Sample_01_pos.mzML 48641.043 0 313.18703563912146 11.3278265 1371 Sample_01_pos.mzML 12036.569 0 248.1605684094749 11.336497 1374 Sample_01_pos.mzML 333379.62 0 277.1390483125494 11.51134 1376 Sample_01_pos.mzML 9621.779 0 278.1423901329732 11.513539 1377 Sample_01_pos.mzML 84686.1 0 282.057449726996 11.514416 1378 Sample_01_pos.mzML 556214.94 0 304.16126122413266 11.517955 1388 Sample_01_pos.mzML 950447.4 0 262.1506913923568 11.531592 1389 Sample_01_pos.mzML 617438.06 0 204.13402659101504 11.532012 1407 Sample_01_pos.mzML 1006252.56 0 276.1550226035785 11.559689 1409 Sample_01_pos.mzML 96675784.0 0 241.03094338850485 11.5610075 1415 Sample_01_pos.mzML 8559829.0 0 243.02678201103345 11.562327 1426 Sample_01_pos.mzML 482869.1 0 303.1772234383022 11.568047 1437 Sample_01_pos.mzML 1000568.9 0 251.166119732511 11.585159 1457 Sample_01_pos.mzML 895110.6 0 275.1710225348117 11.613685 1466 Sample_01_pos.mzML 1617562.8 0 263.0128023889946 11.642216 1469 Sample_01_pos.mzML 289995.66 0 278.98660980913854 11.648937 1471 Sample_01_pos.mzML 298865.1 0 396.2363286809719 11.677346 1473 Sample_01_pos.mzML 1557146.0 0 234.1446648417694 11.690246 1485 Sample_01_pos.mzML 942337.7 0 261.15555602427605 11.726382 1487 Sample_01_pos.mzML 386684.5 0 289.1616430518823 11.733912 1488 Sample_01_pos.mzML 495699.0 0 182.9849459620996 11.736179 1492 Sample_01_pos.mzML 95405.42 0 304.02686844036094 11.8071165 1499 Sample_01_pos.mzML 126141.76 0 151.03510544906462 11.850545 1503 Sample_01_pos.mzML 80756.13 0 278.9867347050311 11.727371 1509 Sample_01_pos.mzML 182900.72 0 304.0269243781329 11.844499 1510 Sample_01_pos.mzML 545222.8 0 151.03514920449794 11.8673315 1515 Sample_01_pos.mzML 0.0 0 376.2189013075872 11.939273 1521 Sample_01_pos.mzML 0.0 0 473.3444755147893 12.102442 1522 Sample_01_pos.mzML 0.0 0 298.05247964856613 12.136988 1523 Sample_01_pos.mzML 27959.51 0 173.13408485930873 12.497563 1524 Sample_01_pos.mzML 22490.94 0 427.0952727376404 12.633031 1525 Sample_01_pos.mzML 260070.89 0 182.98494465025965 12.898163 1527 Sample_01_pos.mzML 2065342.4 0 167.01271717741983 12.917134 1528 Sample_01_pos.mzML 497380.88 0 255.94395639690367 12.917243 1530 Sample_01_pos.mzML 195892.03 0 385.9017133531906 12.921013 1531 Sample_01_pos.mzML 247420.12 0 143.99665492800966 12.922867 1533 Sample_01_pos.mzML 1219099.4 0 125.98620278672723 12.925508 1536 Sample_01_pos.mzML 207358.69 0 282.9047940378916 12.953278 1539 Sample_01_pos.mzML 25329.035 0 491.7875226546853 13.435786 1540 Sample_01_pos.mzML 63325.156 0 167.01272908201915 14.068723 1541 Sample_01_pos.mzML 0.0 0 241.03094812769385 14.083734 1542 Sample_01_pos.mzML 0.0 0 125.9861272213276 14.077281 1543 Sample_01_pos.mzML 0.0 0 241.03092328785684 14.2579565 1544 Sample_01_pos.mzML 35566.24 0 125.98610652607104 14.2632475 1545 Sample_01_pos.mzML 431550.7 0 125.9860987016528 14.282119 1546 Sample_01_pos.mzML 906602.06 0 167.01266837053672 14.29509 1547 Sample_01_pos.mzML 1679.5261 0 241.03092878208284 14.737781 1548 Sample_01_pos.mzML 0.0 0 241.03095848676367 15.381517 1549 Sample_01_pos.mzML 0.0 0 241.03092431621664 15.560758 1550 Sample_01_pos.mzML 73496.66 0 125.98607678073093 19.125986 1551 Sample_01_pos.mzML 349644.53 0 125.986068468798 19.237349 1 Sample_07_pos.mzML 58173.035 0 124.08669564836464 0.884114 2 Sample_07_pos.mzML 67907.555 0 709.5135709142155 0.9277029 3 Sample_07_pos.mzML 154371.94 0 708.5102830575064 0.92855316 4 Sample_07_pos.mzML 94929.05 0 680.4788218943072 0.94213986 5 Sample_07_pos.mzML 101330.18 0 663.4525341847894 0.94251555 8 Sample_07_pos.mzML 13503.268 0 124.0866635483428 0.9758523 13 Sample_07_pos.mzML 113597.05 0 338.3410184191165 0.94918865 14 Sample_07_pos.mzML 122359.266 0 228.19530207513023 0.9487448 15 Sample_07_pos.mzML 114362.74 0 431.3836089366016 0.94785005 16 Sample_07_pos.mzML 24593.648 0 171.14883588649835 0.96850353 18 Sample_07_pos.mzML 252673.27 0 392.253772671759 0.95138794 19 Sample_07_pos.mzML 3987.0166 0 144.98179283118262 0.9658699 24 Sample_07_pos.mzML 3535859.2 0 394.2890043118055 0.9663088 25 Sample_07_pos.mzML 15630460.0 0 393.2855729410101 0.9663088 27 Sample_07_pos.mzML 956557.3 0 377.2624336443359 0.96850294 34 Sample_07_pos.mzML 4282872.0 0 376.2589851838652 0.9727521 38 Sample_07_pos.mzML 2197011.8 0 421.31661595485554 0.9779623 39 Sample_07_pos.mzML 204191.97 0 88.07551193113026 0.97947496 53 Sample_07_pos.mzML 25797.7 0 124.08666138918748 0.993165 56 Sample_07_pos.mzML 956557.3 0 377.2624197988114 0.9718469 59 Sample_07_pos.mzML 515323.3 0 432.2372666227246 1.0112926 62 Sample_07_pos.mzML 2192312.0 0 421.3166253437647 0.97587925 63 Sample_07_pos.mzML 253893.95 0 387.179513993051 1.0174752 64 Sample_07_pos.mzML 255987.78 0 404.206042018552 1.0174752 66 Sample_07_pos.mzML 49023.035 0 88.07550968410891 0.9884599 67 Sample_07_pos.mzML 3532349.0 0 394.2889108048021 0.9842202 68 Sample_07_pos.mzML 73826.086 0 351.23847785630625 1.0211498 70 Sample_07_pos.mzML 15580053.0 0 393.2854598750544 0.9889083 73 Sample_07_pos.mzML 4239806.0 0 376.25890207776246 0.99538916 74 Sample_07_pos.mzML 5686.3833 0 288.2529471652366 1.0429213 75 Sample_07_pos.mzML 20082.781 0 331.0807619477385 1.0405952 77 Sample_07_pos.mzML 159569.58 0 326.3776187676901 1.0575842 78 Sample_07_pos.mzML 33129.707 0 171.14889188727136 1.0486741 79 Sample_07_pos.mzML 36692.32 0 327.3810916038047 1.0591878 80 Sample_07_pos.mzML 20513.41 0 163.13257303241096 1.0823013 81 Sample_07_pos.mzML 59634.273 0 393.2854036509345 1.0183046 83 Sample_07_pos.mzML 80036.94 0 244.1904237605233 1.0973613 84 Sample_07_pos.mzML 82710.62 0 226.1798566023925 1.0981086 85 Sample_07_pos.mzML 39446.87 0 266.17230843797444 1.0986773 86 Sample_07_pos.mzML 6498.056 0 227.1831032067456 1.0987782 87 Sample_07_pos.mzML 52384.445 0 304.29949433328 1.1027321 88 Sample_07_pos.mzML 7549.3574 0 305.30293167052633 1.1067916 92 Sample_07_pos.mzML 20300.996 0 251.18498943129944 1.1416863 93 Sample_07_pos.mzML 22783.365 0 124.08670965523844 1.1556855 94 Sample_07_pos.mzML 11131.778 0 216.0559227001227 1.1569017 95 Sample_07_pos.mzML 2057789.9 0 214.04970061718825 1.1580465 97 Sample_07_pos.mzML 254226.78 0 215.0529211514825 1.1586148 98 Sample_07_pos.mzML 9200.447 0 212.14716102940864 1.1687001 99 Sample_07_pos.mzML 20532.46 0 258.2788169776792 1.167492 100 Sample_07_pos.mzML 104262.66 0 88.07553334535379 1.1669827 101 Sample_07_pos.mzML 26381.664 0 180.10163704706503 1.1693052 102 Sample_07_pos.mzML 0.0 0 259.28220830541363 1.1698533 103 Sample_07_pos.mzML 291886.8 0 211.143882330612 1.1725975 104 Sample_07_pos.mzML 24009.896 0 367.2087928080393 1.1786896 106 Sample_07_pos.mzML 12198.826 0 164.07039862833477 1.1870936 107 Sample_07_pos.mzML 13689.339 0 245.1281492380409 1.1915327 108 Sample_07_pos.mzML 18773.445 0 284.13905400436323 1.1924504 110 Sample_07_pos.mzML 48258.656 0 230.2476229409027 1.208052 111 Sample_07_pos.mzML 0.0 0 231.2509189682441 1.2119467 113 Sample_07_pos.mzML 21586.324 0 245.1282150522416 1.2145875 114 Sample_07_pos.mzML 28592.947 0 197.1282601988709 1.232969 115 Sample_07_pos.mzML 0.0 0 200.23706200725795 1.2285993 116 Sample_07_pos.mzML 3333.9785 0 402.3573877818645 1.2316772 117 Sample_07_pos.mzML 6804.9307 0 144.04758008856655 1.2390124 119 Sample_07_pos.mzML 18773.445 0 284.1390667992057 1.1856359 120 Sample_07_pos.mzML 55620.812 0 110.05986025284652 1.3090072 121 Sample_07_pos.mzML 13128.09 0 156.10173858023458 1.2697691 122 Sample_07_pos.mzML 22074.957 0 590.2061363974616 1.27046 123 Sample_07_pos.mzML 7850.112 0 138.09113936072484 1.286875 124 Sample_07_pos.mzML 69729.195 0 96.0442997411288 1.286875 125 Sample_07_pos.mzML 12856.369 0 162.06601688304164 1.2898526 127 Sample_07_pos.mzML 0.0 0 170.11734099333302 1.2949688 128 Sample_07_pos.mzML 2889.3962 0 210.1097480469689 1.3193958 129 Sample_07_pos.mzML 0.0 0 146.98014902199242 1.2979198 130 Sample_07_pos.mzML 29020.043 0 197.12825593496416 1.2959038 131 Sample_07_pos.mzML 19045.648 0 144.98196187706563 1.3213226 135 Sample_07_pos.mzML 25619.545 0 169.07576992147565 1.3398076 137 Sample_07_pos.mzML 132465.28 0 246.1519543589688 1.3437899 138 Sample_07_pos.mzML 34628.684 0 195.11265710236808 1.3443106 140 Sample_07_pos.mzML 20131.785 0 154.0860441472675 1.3451465 142 Sample_07_pos.mzML 67158.56 0 110.0598549901638 1.3488079 148 Sample_07_pos.mzML 75269.98 0 243.14891618061824 1.3506924 151 Sample_07_pos.mzML 184164.36 0 126.05477443803215 1.3522042 152 Sample_07_pos.mzML 129195.484 0 100.07552017645202 1.3522406 156 Sample_07_pos.mzML 35842.062 0 283.12204191444454 1.3535328 166 Sample_07_pos.mzML 33834.152 0 298.0965493713124 1.3567747 167 Sample_07_pos.mzML 163420.58 0 227.17513409439653 1.3601131 170 Sample_07_pos.mzML 70774.56 0 239.1486489095845 1.3637681 171 Sample_07_pos.mzML 75003.44 0 332.20810646332137 1.3653196 173 Sample_07_pos.mzML 443496.66 0 331.2046411437328 1.3668481 175 Sample_07_pos.mzML 74462.086 0 353.18635058440617 1.3700385 177 Sample_07_pos.mzML 80489.375 0 124.08674078601246 1.378172 178 Sample_07_pos.mzML 988768.7 0 123.05520806435112 1.3835589 181 Sample_07_pos.mzML 76657.125 0 224.07373638627203 1.3882531 182 Sample_07_pos.mzML 95097.92 0 195.1224565621741 1.3905834 184 Sample_07_pos.mzML 5273.384 0 210.1097363228984 1.3884922 187 Sample_07_pos.mzML 35842.062 0 283.1220435150896 1.3583255 190 Sample_07_pos.mzML 23158.877 0 195.11287983767883 1.3899492 191 Sample_07_pos.mzML 49751.51 0 249.13438273444345 1.4200606 192 Sample_07_pos.mzML 0.0 0 105.06971063859694 1.4354923 193 Sample_07_pos.mzML 13093.441 0 393.28554314722027 1.3910813 195 Sample_07_pos.mzML 41302.332 0 124.08674995537856 1.3871161 196 Sample_07_pos.mzML 2238.983 0 393.28567548041735 1.4236475 197 Sample_07_pos.mzML 3568.9062 0 151.09631717250656 1.4888855 198 Sample_07_pos.mzML 10037.731 0 348.14383698933153 1.4761354 199 Sample_07_pos.mzML 26937.387 0 375.0811540275393 1.489473 201 Sample_07_pos.mzML 4071.208 0 353.0992471828444 1.4867625 202 Sample_07_pos.mzML 0.0 0 337.03648815326005 1.5395262 203 Sample_07_pos.mzML 0.0 0 321.06256590229526 1.5395222 204 Sample_07_pos.mzML 0.0 0 298.0966397086858 1.6940964 205 Sample_07_pos.mzML 161850.81 0 190.08951118437503 1.7135324 206 Sample_07_pos.mzML 27345.607 0 144.98195244122175 1.9972055 207 Sample_07_pos.mzML 98049.82 0 190.0894178152409 1.9916908 208 Sample_07_pos.mzML 20563.926 0 146.08097871921322 1.9896737 209 Sample_07_pos.mzML 331693.66 0 267.1449176772506 1.9950703 210 Sample_07_pos.mzML 117929.34 0 152.07041948711262 2.0314512 211 Sample_07_pos.mzML 2520790.2 0 170.08106776554337 2.0327005 212 Sample_07_pos.mzML 205382.4 0 171.08430196994564 2.037283 213 Sample_07_pos.mzML 33429.785 0 331.2046255896961 2.049584 214 Sample_07_pos.mzML 45592.52 0 212.10276003144267 2.2255604 215 Sample_07_pos.mzML 314238.06 0 176.07386576343754 2.2393477 216 Sample_07_pos.mzML 179118.42 0 395.1961437435049 2.25555 217 Sample_07_pos.mzML 22014.715 0 171.07623002808543 2.4603689 218 Sample_07_pos.mzML 0.0 0 136.06166758377617 2.4618294 219 Sample_07_pos.mzML 44160.844 0 162.99758522735817 2.464494 220 Sample_07_pos.mzML 57946.88 0 176.07378886026444 2.466533 221 Sample_07_pos.mzML 93337.625 0 212.1027452521681 2.4712422 222 Sample_07_pos.mzML 61411.78 0 234.0846850483877 2.4712543 224 Sample_07_pos.mzML 113855.375 0 251.1500001009124 2.490054 225 Sample_07_pos.mzML 125098.38 0 170.08096549677393 2.497286 227 Sample_07_pos.mzML 154666.55 0 242.09971739527816 2.5311325 228 Sample_07_pos.mzML 368985.28 0 220.11781080236509 2.5324228 229 Sample_07_pos.mzML 29401.81 0 221.1210520053073 2.5324228 231 Sample_07_pos.mzML 646467.0 0 137.04566565562763 2.61302 232 Sample_07_pos.mzML 230365.16 0 167.09253949646646 2.6150174 233 Sample_07_pos.mzML 595164.8 0 159.02756167849526 2.6262987 234 Sample_07_pos.mzML 294108.16 0 175.00145180579432 2.6233456 235 Sample_07_pos.mzML 63082.156 0 83.06022538821384 2.6915092 236 Sample_07_pos.mzML 382426.03 0 159.02754096432605 2.6711876 238 Sample_07_pos.mzML 1021712.75 0 269.1074820276356 2.733594 239 Sample_07_pos.mzML 111031.77 0 136.06159150189967 2.7327607 240 Sample_07_pos.mzML 9937500.0 0 268.103853951424 2.735583 241 Sample_07_pos.mzML 43144.41 0 124.0867204867036 2.7465951 242 Sample_07_pos.mzML 56732.305 0 206.04549179878435 2.7396824 246 Sample_07_pos.mzML 96017.77 0 169.05813466701616 2.7622888 247 Sample_07_pos.mzML 18471.16 0 147.07620312825443 2.7634428 249 Sample_07_pos.mzML 101270.65 0 251.14995309511343 2.8096216 250 Sample_07_pos.mzML 59327.086 0 124.08672952186082 2.7857726 251 Sample_07_pos.mzML 77339.7 0 166.07212983034697 2.8522704 252 Sample_07_pos.mzML 19677.857 0 86.09628372212455 2.8936963 253 Sample_07_pos.mzML 281188.38 0 162.0582063782167 2.922553 254 Sample_07_pos.mzML 36726.824 0 158.08114129553522 3.0417824 255 Sample_07_pos.mzML 46792.293 0 124.03925425687731 3.3331635 256 Sample_07_pos.mzML 23687.652 0 131.11768354659372 3.5462894 259 Sample_07_pos.mzML 52792.61 0 147.03008748928804 3.6102345 265 Sample_07_pos.mzML 69055.43 0 237.1342771902892 3.554259 268 Sample_07_pos.mzML 2012376.1 0 104.10690922607166 3.615613 270 Sample_07_pos.mzML 159421.47 0 105.1101628079843 3.5773337 276 Sample_07_pos.mzML 143643.14 0 356.99219855042145 3.6094525 277 Sample_07_pos.mzML 416095.6 0 257.10061043785606 3.6021051 278 Sample_07_pos.mzML 1501250.9 0 235.11878342337727 3.6104362 279 Sample_07_pos.mzML 2794591.0 0 104.10691140742011 3.6254394 281 Sample_07_pos.mzML 2633916.5 0 146.02691561369866 3.617239 282 Sample_07_pos.mzML 797155.0 0 189.99069726862683 3.6186962 284 Sample_07_pos.mzML 3121528.2 0 104.10691151684348 3.6318386 285 Sample_07_pos.mzML 101286.09 0 105.11016638499711 3.6433537 286 Sample_07_pos.mzML 417673.88 0 270.1921498403816 3.6826499 289 Sample_07_pos.mzML 286504.62 0 307.0436219791634 3.8853528 297 Sample_07_pos.mzML 561880.9 0 291.0697298907951 3.9010928 298 Sample_07_pos.mzML 200947.48 0 257.1006228106187 3.904753 299 Sample_07_pos.mzML 239292.03 0 270.1921248236023 3.9918861 305 Sample_07_pos.mzML 1157623.4 0 235.11874356344256 3.9848194 307 Sample_07_pos.mzML 635073.0 0 146.02687268396707 3.9806588 308 Sample_07_pos.mzML 209240.3 0 314.09137691435643 3.989151 310 Sample_07_pos.mzML 212727.14 0 269.0877500718245 3.9971244 311 Sample_07_pos.mzML 277452.47 0 270.1921288646996 3.9987442 313 Sample_07_pos.mzML 250853.64 0 137.04561392556303 4.0023994 314 Sample_07_pos.mzML 85207.78 0 268.1037209235785 4.003829 315 Sample_07_pos.mzML 104026.39 0 163.05335215225128 4.0424848 317 Sample_07_pos.mzML 870946.9 0 152.05653168599866 4.009559 321 Sample_07_pos.mzML 3483823.8 0 148.04256672639687 4.012652 324 Sample_07_pos.mzML 78195.25 0 213.08672615987487 4.018884 334 Sample_07_pos.mzML 195426.33 0 245.18571573726572 4.136272 345 Sample_07_pos.mzML 111299.77 0 134.11737910350053 4.1628757 348 Sample_07_pos.mzML 256536.02 0 163.0533777453292 4.1968255 349 Sample_07_pos.mzML 0.0 0 137.04558546014155 4.19949 352 Sample_07_pos.mzML 74403.164 0 268.1037602942401 4.2119775 353 Sample_07_pos.mzML 55711.918 0 229.118040650464 4.229315 354 Sample_07_pos.mzML 133116.05 0 245.18574102113112 4.2097106 356 Sample_07_pos.mzML 46186.28 0 200.10278438614216 4.2574863 357 Sample_07_pos.mzML 44645.227 0 268.1037589105309 4.217879 358 Sample_07_pos.mzML 26753.723 0 270.1922424181455 4.279421 359 Sample_07_pos.mzML 0.0 0 189.99075931378115 4.327314 360 Sample_07_pos.mzML 67957.836 0 134.11743645494067 4.2845025 361 Sample_07_pos.mzML 0.0 0 242.18611577228643 4.3433714 362 Sample_07_pos.mzML 28093.572 0 304.1765208263302 4.7402077 363 Sample_07_pos.mzML 0.0 0 172.13294299742864 4.7589955 364 Sample_07_pos.mzML 0.0 0 189.9905913432856 4.772744 367 Sample_07_pos.mzML 166937.23 0 159.09139985691644 4.8108883 371 Sample_07_pos.mzML 1178841.0 0 120.08061352243423 4.8438725 372 Sample_07_pos.mzML 816691.06 0 167.08935800092092 4.845658 373 Sample_07_pos.mzML 849433.75 0 266.07438437754746 4.819725 375 Sample_07_pos.mzML 526368.8 0 249.0607079423268 4.8210406 378 Sample_07_pos.mzML 2373753.8 0 205.09695945152035 4.8233333 380 Sample_07_pos.mzML 1846487.1 0 188.07038343865275 4.8246927 384 Sample_07_pos.mzML 1496910.6 0 188.07038967593124 4.8265615 385 Sample_07_pos.mzML 648669.6 0 266.07438495902727 4.8215938 390 Sample_07_pos.mzML 12421471.0 0 166.08609631348253 4.846532 391 Sample_07_pos.mzML 273534.38 0 146.02679892343698 4.84755 392 Sample_07_pos.mzML 1706983.9 0 120.08061021815044 4.850492 393 Sample_07_pos.mzML 2696019.5 0 176.11331845539647 4.850525 405 Sample_07_pos.mzML 9422.923 0 124.08671779184456 4.861618 406 Sample_07_pos.mzML 289829.06 0 242.18597353886392 4.893828 414 Sample_07_pos.mzML 869727.56 0 167.0893640074416 4.8583703 415 Sample_07_pos.mzML 1081929.6 0 188.070370874549 4.853523 432 Sample_07_pos.mzML 7390276.5 0 132.10181358254428 5.070786 439 Sample_07_pos.mzML 1989936.8 0 134.10843493246685 5.0749183 440 Sample_07_pos.mzML 36795932.0 0 133.10514633013727 5.075796 441 Sample_07_pos.mzML 10443432.0 0 132.10180873486888 5.0757966 442 Sample_07_pos.mzML 960826.1 0 254.16086399050823 5.076235 444 Sample_07_pos.mzML 7414958.0 0 86.09634855868607 5.0771127 460 Sample_07_pos.mzML 866358.2 0 231.1700284982437 5.157729 462 Sample_07_pos.mzML 6001184.0 0 86.09635085819752 5.0803976 464 Sample_07_pos.mzML 8374132.0 0 132.1018131478376 5.079959 465 Sample_07_pos.mzML 29619344.0 0 133.10514770247934 5.0799584 466 Sample_07_pos.mzML 1610850.8 0 134.10843686992123 5.079081 471 Sample_07_pos.mzML 903031.5 0 231.17003514728088 5.1624675 472 Sample_07_pos.mzML 540260.1 0 177.068867688938 5.0954223 476 Sample_07_pos.mzML 300729.2 0 146.02680791872297 5.2020907 482 Sample_07_pos.mzML 385755.16 0 170.06097130330835 5.208097 485 Sample_07_pos.mzML 314584.38 0 322.054438749271 5.261234 486 Sample_07_pos.mzML 766924.7 0 306.0806507387645 5.269045 487 Sample_07_pos.mzML 361527.1 0 284.09869474213104 5.2824006 490 Sample_07_pos.mzML 1011029.9 0 254.1609829416835 5.2925267 498 Sample_07_pos.mzML 139997.3 0 228.1703774765928 5.428404 499 Sample_07_pos.mzML 808137.8 0 254.16093846752423 5.4288635 500 Sample_07_pos.mzML 180614.58 0 176.06557454370355 5.4312606 501 Sample_07_pos.mzML 992848.25 0 86.09634303157317 5.453327 502 Sample_07_pos.mzML 4569413.5 0 132.10179944532445 5.452833 505 Sample_07_pos.mzML 879203.06 0 133.10515142846097 5.4484563 506 Sample_07_pos.mzML 4948160.0 0 132.10179448037488 5.4554677 507 Sample_07_pos.mzML 1161945.0 0 86.09633268244676 5.4559617 508 Sample_07_pos.mzML 89468.266 0 192.0394553458964 5.4579144 510 Sample_07_pos.mzML 834644.94 0 254.160928157678 5.431993 518 Sample_07_pos.mzML 304937.2 0 208.01345244401543 5.4915414 529 Sample_07_pos.mzML 904558.06 0 122.9244093086683 5.570595 530 Sample_07_pos.mzML 321044.7 0 458.7694151411931 5.5711894 532 Sample_07_pos.mzML 555321.06 0 206.88568577248728 5.572176 534 Sample_07_pos.mzML 353649.88 0 542.7307149004203 5.5728345 537 Sample_07_pos.mzML 1118213.8 0 290.8469756666516 5.574323 539 Sample_07_pos.mzML 314321.72 0 292.84486404160776 5.57543 546 Sample_07_pos.mzML 41980100.0 0 118.086136282161 5.6935368 547 Sample_07_pos.mzML 2234851.2 0 119.08943078666724 5.6957307 549 Sample_07_pos.mzML 497475.2 0 158.03999253356488 5.6885877 558 Sample_07_pos.mzML 47305690.0 0 118.08614084735753 5.695406 559 Sample_07_pos.mzML 6481877.5 0 156.0419594783285 5.700437 561 Sample_07_pos.mzML 159197.9 0 133.10503503876865 5.7478676 563 Sample_07_pos.mzML 2458786.2 0 119.08942925468972 5.6976 564 Sample_07_pos.mzML 2796275.8 0 235.1649571996301 5.6980495 573 Sample_07_pos.mzML 6178821.0 0 273.1208172600843 5.7226243 586 Sample_07_pos.mzML 1101121.1 0 150.0580937823089 5.736668 587 Sample_07_pos.mzML 1922136.5 0 257.14684101952525 5.737107 591 Sample_07_pos.mzML 3140220.2 0 163.05338891159045 5.738424 603 Sample_07_pos.mzML 1140493.1 0 107.0714836044441 5.7414956 604 Sample_07_pos.mzML 2377531.5 0 136.05042953346918 5.741495 606 Sample_07_pos.mzML 19055200.0 0 153.07702607515895 5.742373 609 Sample_07_pos.mzML 827452.9 0 201.00917974363804 5.743689 617 Sample_07_pos.mzML 2948880.5 0 156.04195771190652 5.7104034 621 Sample_07_pos.mzML 5839652.5 0 273.12082086293464 5.7262015 622 Sample_07_pos.mzML 192490.23 0 132.10170818206214 5.7288346 628 Sample_07_pos.mzML 159197.9 0 133.10504212972964 5.765699 640 Sample_07_pos.mzML 516716.7 0 217.15447541961305 5.817688 659 Sample_07_pos.mzML 262181.94 0 203.13879992661973 5.825148 660 Sample_07_pos.mzML 715906.56 0 215.13885933944832 5.825148 674 Sample_07_pos.mzML 231524.62 0 138.0547721930798 5.8345313 678 Sample_07_pos.mzML 152298.62 0 227.15804343513688 5.843843 679 Sample_07_pos.mzML 1341117.6 0 226.1548276939271 5.84388 683 Sample_07_pos.mzML 1116388.4 0 118.08618244730933 5.818649 685 Sample_07_pos.mzML 164666.94 0 197.040867463821 5.8871245 686 Sample_07_pos.mzML 152514.42 0 320.17136170937744 5.910408 687 Sample_07_pos.mzML 824734.7 0 115.08651467149711 5.9351325 688 Sample_07_pos.mzML 264856.03 0 137.06841851907743 5.936834 690 Sample_07_pos.mzML 36447.137 0 265.11149031603264 5.9485784 691 Sample_07_pos.mzML 110309.96 0 228.14534892007973 6.0084243 693 Sample_07_pos.mzML 255690.8 0 226.1548933204581 6.043236 695 Sample_07_pos.mzML 577487.2 0 228.1454157073448 6.1668887 698 Sample_07_pos.mzML 1879746.4 0 118.08615791324712 6.2560725 699 Sample_07_pos.mzML 220073.6 0 132.10171546003687 6.300898 700 Sample_07_pos.mzML 456369.94 0 133.10509747646654 6.288588 701 Sample_07_pos.mzML 252678.77 0 153.07699495948592 6.2302094 708 Sample_07_pos.mzML 316238.2 0 298.02467259368444 6.2890944 710 Sample_07_pos.mzML 622650.56 0 162.0499397667938 6.361732 711 Sample_07_pos.mzML 1202757.5 0 118.08612947184405 6.2692437 713 Sample_07_pos.mzML 2191194.2 0 90.976550099308 6.411321 717 Sample_07_pos.mzML 117497.71 0 133.10506197129337 6.3418784 723 Sample_07_pos.mzML 120666.25 0 132.10170322970416 6.3238697 729 Sample_07_pos.mzML 5084761.0 0 430.9133167798752 6.445311 730 Sample_07_pos.mzML 3423810.5 0 498.9006283059093 6.4422398 733 Sample_07_pos.mzML 2698253.5 0 566.887996552571 6.4444346 742 Sample_07_pos.mzML 946661.56 0 162.049928906656 6.3924384 743 Sample_07_pos.mzML 3163037.0 0 566.8879974709893 6.465941 744 Sample_07_pos.mzML 476413.5 0 298.0246176631577 6.392486 746 Sample_07_pos.mzML 4345566.5 0 90.9765516798645 6.4571624 752 Sample_07_pos.mzML 6435635.5 0 362.925952839678 6.459356 753 Sample_07_pos.mzML 6608201.0 0 430.91332032039486 6.4764752 754 Sample_07_pos.mzML 4426951.0 0 498.9006293329196 6.464187 760 Sample_07_pos.mzML 6629521.5 0 430.9133173583412 6.47867 763 Sample_07_pos.mzML 7872663.0 0 362.9259521619515 6.46155 768 Sample_07_pos.mzML 5577615.0 0 498.9006350513378 6.4663815 772 Sample_07_pos.mzML 4291191.0 0 566.8880079908274 6.4703307 774 Sample_07_pos.mzML 36061280.0 0 226.95130605314407 6.4734025 776 Sample_07_pos.mzML 5294793.0 0 158.96391743043827 6.475264 777 Sample_07_pos.mzML 5259671.5 0 90.97655184812557 6.4699974 783 Sample_07_pos.mzML 8214524.0 0 430.913321997725 6.485361 797 Sample_07_pos.mzML 2830791.0 0 498.9006368424921 6.481851 798 Sample_07_pos.mzML 2184995.0 0 566.8880087807638 6.490188 801 Sample_07_pos.mzML 1323061.4 0 116.07045588148864 6.535134 806 Sample_07_pos.mzML 2047096.4 0 90.97654696859416 6.497805 807 Sample_07_pos.mzML 257218.62 0 133.1050813977587 6.57356 820 Sample_07_pos.mzML 80533.29 0 258.15586908713766 6.8444924 821 Sample_07_pos.mzML 135287.5 0 301.96555337204217 6.8449597 822 Sample_07_pos.mzML 393197.6 0 214.12973993847905 6.8736024 826 Sample_07_pos.mzML 243638.97 0 376.979765282261 6.890302 833 Sample_07_pos.mzML 229775.42 0 308.9923908286443 6.898309 835 Sample_07_pos.mzML 92215.17 0 173.09190815945408 6.8987 836 Sample_07_pos.mzML 995288.2 0 165.99085411729348 6.9019084 837 Sample_07_pos.mzML 103381.17 0 451.9939689509807 6.901796 842 Sample_07_pos.mzML 474299.2 0 122.02695576262852 6.907451 845 Sample_07_pos.mzML 20909.496 0 241.0309804045192 6.929818 848 Sample_07_pos.mzML 150768.6 0 118.08612324531742 6.906456 850 Sample_07_pos.mzML 469499.6 0 122.02695713603926 6.910003 853 Sample_07_pos.mzML 116633.555 0 208.1806931005108 6.967325 857 Sample_07_pos.mzML 102001.36 0 226.95139637449867 7.056883 858 Sample_07_pos.mzML 154312.86 0 258.156014085099 7.159303 859 Sample_07_pos.mzML 29034.748 0 104.07052981519426 7.1661315 860 Sample_07_pos.mzML 90855.305 0 226.9514186720039 7.1463103 861 Sample_07_pos.mzML 0.0 0 245.9476010251665 7.220245 862 Sample_07_pos.mzML 0.0 0 201.9837410781343 7.2195973 863 Sample_07_pos.mzML 0.0 0 267.92949707305337 7.2172837 864 Sample_07_pos.mzML 119930.16 0 90.05496978874557 7.6612244 865 Sample_07_pos.mzML 74527.29 0 244.140503738826 7.6647267 866 Sample_07_pos.mzML 32088.053 0 230.14997669311865 7.6839995 867 Sample_07_pos.mzML 44065.734 0 134.01883779940704 7.6638207 868 Sample_07_pos.mzML 1766.3638 0 328.0301594961641 7.9222236 869 Sample_07_pos.mzML 30091.113 0 306.048316086854 7.914533 870 Sample_07_pos.mzML 48134.074 0 285.1667082325685 7.933275 871 Sample_07_pos.mzML 37882.22 0 387.2709948049544 7.9394317 872 Sample_07_pos.mzML 48551.836 0 187.10747655608205 7.93947 877 Sample_07_pos.mzML 146484.72 0 197.0894356361632 7.961445 879 Sample_07_pos.mzML 643232.6 0 269.16060472372754 7.962421 880 Sample_07_pos.mzML 177781.31 0 346.05434588118914 7.9639306 881 Sample_07_pos.mzML 188260.02 0 271.1510202898235 7.9642925 890 Sample_07_pos.mzML 151004.39 0 129.06566925010313 7.9716926 891 Sample_07_pos.mzML 936813.2 0 120.06545039741656 7.972265 894 Sample_07_pos.mzML 374455.7 0 164.02922326766455 7.9790225 895 Sample_07_pos.mzML 106915.23 0 133.10507612878197 7.9839897 896 Sample_07_pos.mzML 74464.984 0 153.07696300828565 7.981729 899 Sample_07_pos.mzML 151004.39 0 129.06566954676447 7.973686 901 Sample_07_pos.mzML 735972.1 0 233.10652019611663 7.9997315 904 Sample_07_pos.mzML 229224.08 0 217.12933749214804 8.017409 909 Sample_07_pos.mzML 31563.266 0 205.11810687589983 8.066115 910 Sample_07_pos.mzML 63210.125 0 176.09158435507644 8.110695 911 Sample_07_pos.mzML 46344.414 0 120.06538793621888 8.095319 912 Sample_07_pos.mzML 168374.81 0 216.13414402314515 8.137809 913 Sample_07_pos.mzML 44216.543 0 254.110947332547 8.13853 918 Sample_07_pos.mzML 45510.54 0 142.09734305994664 8.155034 919 Sample_07_pos.mzML 42899.0 0 247.12867941295664 8.191632 920 Sample_07_pos.mzML 48241.92 0 203.11372007085788 8.203923 921 Sample_07_pos.mzML 24514.314 0 246.1446736791892 8.23056 922 Sample_07_pos.mzML 85473.05 0 261.1443564364716 8.234616 923 Sample_07_pos.mzML 18552.574 0 283.12626085214976 8.235302 924 Sample_07_pos.mzML 86824.016 0 269.16066025719937 8.241423 925 Sample_07_pos.mzML 37311.73 0 226.9513300667016 8.252555 926 Sample_07_pos.mzML 0.0 0 118.0861033091863 8.375219 927 Sample_07_pos.mzML 0.0 0 244.0942511712273 8.360445 928 Sample_07_pos.mzML 1947.815 0 201.1788423536045 8.363343 929 Sample_07_pos.mzML 140957.66 0 200.1756825779179 8.360786 930 Sample_07_pos.mzML 11897.368 0 226.9513188023629 8.36787 931 Sample_07_pos.mzML 0.0 0 217.1181167414713 8.373118 932 Sample_07_pos.mzML 4139.01 0 265.12695885890884 8.393177 933 Sample_07_pos.mzML 0.0 0 365.105201429741 8.39588 934 Sample_07_pos.mzML 0.0 0 157.16978702908858 8.416748 935 Sample_07_pos.mzML 0.0 0 205.11817679551444 8.449443 936 Sample_07_pos.mzML 33244.78 0 166.0531984049978 8.511632 937 Sample_07_pos.mzML 0.0 0 210.01689084731828 8.517229 938 Sample_07_pos.mzML 38881.805 0 574.1288443930529 8.598261 939 Sample_07_pos.mzML 74584.586 0 188.03499184859004 8.604352 940 Sample_07_pos.mzML 22783.5 0 166.05302736240878 8.598813 941 Sample_07_pos.mzML 49799.336 0 147.07628217729822 8.606629 942 Sample_07_pos.mzML 43343.918 0 169.0581892689462 8.606629 944 Sample_07_pos.mzML 92128.52 0 175.10751430696803 8.61571 945 Sample_07_pos.mzML 128102.63 0 258.14458594133026 8.616849 949 Sample_07_pos.mzML 509521.6 0 106.0497993519311 8.619147 951 Sample_07_pos.mzML 63616.32 0 227.09996497608665 8.619727 953 Sample_07_pos.mzML 97664.664 0 365.1050858603464 8.622464 954 Sample_07_pos.mzML 79773.15 0 277.03801398466214 8.624969 957 Sample_07_pos.mzML 357695.5 0 230.1133787668119 8.627342 958 Sample_07_pos.mzML 115966.34 0 150.01357254868546 8.627431 964 Sample_07_pos.mzML 120692.42 0 268.12651808851587 8.64582 965 Sample_07_pos.mzML 60051.586 0 246.14460651871127 8.647682 966 Sample_07_pos.mzML 39401.3 0 118.0860713755489 8.666564 970 Sample_07_pos.mzML 120538.18 0 331.0597083994683 8.728163 971 Sample_07_pos.mzML 330065.44 0 177.02446857919654 8.73112 974 Sample_07_pos.mzML 477690.16 0 155.04258957375788 8.740393 975 Sample_07_pos.mzML 366472.4 0 230.1133464625389 8.74039 979 Sample_07_pos.mzML 738807.06 0 133.0606595880094 8.745018 980 Sample_07_pos.mzML 185325.55 0 286.15069933735964 8.763644 982 Sample_07_pos.mzML 179614.83 0 247.12860338588263 8.766978 988 Sample_07_pos.mzML 105354.38 0 361.1977693027184 8.791953 994 Sample_07_pos.mzML 917343.4 0 296.0656615542094 8.852614 995 Sample_07_pos.mzML 3273095.5 0 280.0918526920189 8.8539295 998 Sample_07_pos.mzML 1264182.4 0 537.1943231163153 8.85701 999 Sample_07_pos.mzML 920964.06 0 259.11326523868405 8.8587675 1003 Sample_07_pos.mzML 10884312.0 0 258.1099364516471 8.860084 1009 Sample_07_pos.mzML 36368.906 0 153.07693685054173 8.865781 1016 Sample_07_pos.mzML 309861.66 0 322.1869685406384 8.8856325 1019 Sample_07_pos.mzML 289407.03 0 348.0696595688975 8.905177 1020 Sample_07_pos.mzML 140008.89 0 156.14936280240056 8.929667 1023 Sample_07_pos.mzML 203366.81 0 255.14499651185736 8.961529 1026 Sample_07_pos.mzML 117192.42 0 198.0847628014792 8.995751 1027 Sample_07_pos.mzML 61500.703 0 176.1027959719887 8.99959 1029 Sample_07_pos.mzML 873544.1 0 288.2028931457914 9.03741 1030 Sample_07_pos.mzML 102972.805 0 289.2065919245926 9.038054 1031 Sample_07_pos.mzML 70998.35 0 168.076587656824 9.039931 1033 Sample_07_pos.mzML 137688.44 0 229.12936404392448 9.058728 1034 Sample_07_pos.mzML 66523.7 0 251.11128458048435 9.060653 1036 Sample_07_pos.mzML 123952.03 0 294.18102755142905 9.065932 1039 Sample_07_pos.mzML 27239.709 0 258.1447309396798 9.109013 1040 Sample_07_pos.mzML 3364.8313 0 365.1052316626935 9.099115 1043 Sample_07_pos.mzML 22464.182 0 258.14458259952363 9.161549 1045 Sample_07_pos.mzML 56377.707 0 216.0629531114795 9.191652 1048 Sample_07_pos.mzML 44285.29 0 238.04483266653563 9.194025 1051 Sample_07_pos.mzML 304084.12 0 269.1604872451791 9.198629 1053 Sample_07_pos.mzML 2024506.8 0 260.19665861930304 9.201791 1054 Sample_07_pos.mzML 264743.6 0 261.20006499413546 9.202691 1067 Sample_07_pos.mzML 306852.38 0 149.06356867672196 9.225198 1069 Sample_07_pos.mzML 815839.8 0 130.04972503456412 9.2256365 1071 Sample_07_pos.mzML 5634000.0 0 148.06031941955982 9.226085 1079 Sample_07_pos.mzML 2776177.0 0 288.2028125859761 9.241891 1085 Sample_07_pos.mzML 266491.88 0 221.112942320711 9.250683 1096 Sample_07_pos.mzML 292187.38 0 366.10847337323975 9.300052 1099 Sample_07_pos.mzML 2209868.2 0 365.1051586729516 9.302187 1100 Sample_07_pos.mzML 10662.318 0 118.08606206806408 9.277427 1102 Sample_07_pos.mzML 177388.52 0 360.149656817636 9.311521 1107 Sample_07_pos.mzML 182437.73 0 359.26492669564453 9.318966 1111 Sample_07_pos.mzML 802140.75 0 260.1967063364553 9.344571 1112 Sample_07_pos.mzML 91009.71 0 261.2001203040639 9.346213 1113 Sample_07_pos.mzML 46639.785 0 433.0925277310742 9.346755 1118 Sample_07_pos.mzML 58774.98 0 345.22421788168214 9.386636 1121 Sample_07_pos.mzML 342560.66 0 203.1501620783906 9.454228 1122 Sample_07_pos.mzML 44344.93 0 188.1755993548724 9.460129 1124 Sample_07_pos.mzML 114209.62 0 294.16712720772256 9.486702 1125 Sample_07_pos.mzML 53802.305 0 335.0339660433254 9.493368 1126 Sample_07_pos.mzML 107045.08 0 313.0520546222224 9.502534 1127 Sample_07_pos.mzML 58049.37 0 289.206630553843 9.5099125 1128 Sample_07_pos.mzML 515609.38 0 288.2029258528593 9.509217 1131 Sample_07_pos.mzML 130051.914 0 218.18619761371053 9.525903 1132 Sample_07_pos.mzML 46768.086 0 306.06162796412696 9.547405 1133 Sample_07_pos.mzML 33946.414 0 188.17558642399584 9.518045 1134 Sample_07_pos.mzML 40596.598 0 260.1967002040386 9.570424 1135 Sample_07_pos.mzML 20705.4 0 306.1592562972893 9.571097 1136 Sample_07_pos.mzML 432531.0 0 284.0796833657358 9.646189 1137 Sample_07_pos.mzML 39758.406 0 324.0588200527568 9.649519 1138 Sample_07_pos.mzML 48080.992 0 219.09737415252712 9.655475 1139 Sample_07_pos.mzML 115183.266 0 148.0602834766663 9.6562 1141 Sample_07_pos.mzML 45662.508 0 154.01670024274702 9.662093 1143 Sample_07_pos.mzML 6170.783 0 195.04322321426469 9.665049 1144 Sample_07_pos.mzML 154632.45 0 290.1344649431372 9.675607 1145 Sample_07_pos.mzML 149934.64 0 283.04150739594115 9.690609 1149 Sample_07_pos.mzML 89361.54 0 207.0973923543056 9.729797 1150 Sample_07_pos.mzML 55477.773 0 308.09087390128616 9.73265 1151 Sample_07_pos.mzML 34725.246 0 613.1510753489329 9.735156 1155 Sample_07_pos.mzML 35457.86 0 317.2180748441611 9.774086 1157 Sample_07_pos.mzML 268967.72 0 260.1966837829511 9.806193 1159 Sample_07_pos.mzML 64086.04 0 345.2493190320606 9.83373 1163 Sample_07_pos.mzML 98910.76 0 282.1180701017672 9.848723 1164 Sample_07_pos.mzML 147853.61 0 219.0973471625064 9.852621 1165 Sample_07_pos.mzML 115289.88 0 248.12386819185812 9.854269 1167 Sample_07_pos.mzML 268301.94 0 262.90666776551785 9.858233 1168 Sample_07_pos.mzML 125487.17 0 284.0795670488393 9.863204 1171 Sample_07_pos.mzML 929851.3 0 134.04468296663256 9.863805 1172 Sample_07_pos.mzML 168530.25 0 142.94789363209495 9.862807 1174 Sample_07_pos.mzML 133503.19 0 249.107884486856 9.871725 1175 Sample_07_pos.mzML 654928.5 0 274.18716937581314 9.873346 1181 Sample_07_pos.mzML 167384.69 0 338.1819343706756 9.884996 1185 Sample_07_pos.mzML 152973.66 0 175.14390259797082 9.938897 1187 Sample_07_pos.mzML 5553622.5 0 156.07665515382126 9.965302 1188 Sample_07_pos.mzML 174832.44 0 178.05845818353518 9.965835 1189 Sample_07_pos.mzML 305072.06 0 110.07110800895867 9.96585 1192 Sample_07_pos.mzML 359975.38 0 157.07990648632463 9.970797 1195 Sample_07_pos.mzML 238795.88 0 246.1809879902873 9.996257 1201 Sample_07_pos.mzML 82272.84 0 299.0363071280015 10.030114 1205 Sample_07_pos.mzML 117906.805 0 310.17584025335856 10.059572 1206 Sample_07_pos.mzML 83066.13 0 190.1628070441479 10.089722 1207 Sample_07_pos.mzML 976950.06 0 189.15962556992508 10.091929 1208 Sample_07_pos.mzML 101462.17 0 275.1908113067463 10.101804 1209 Sample_07_pos.mzML 971868.44 0 274.18718518067203 10.102931 1211 Sample_07_pos.mzML 451356.7 0 364.0649234803579 10.105504 1216 Sample_07_pos.mzML 444894.34 0 227.11370840600603 10.148948 1219 Sample_07_pos.mzML 21489.42 0 195.0254494451458 10.179174 1220 Sample_07_pos.mzML 221183.84 0 323.0839267608916 10.180491 1224 Sample_07_pos.mzML 154890.47 0 237.05378657328663 10.185353 1229 Sample_07_pos.mzML 77565.56 0 259.12865594655494 10.204153 1234 Sample_07_pos.mzML 18970.996 0 235.09230901827425 10.252195 1239 Sample_07_pos.mzML 122005.03 0 472.2874612980231 10.308299 1242 Sample_07_pos.mzML 14848817.0 0 175.11882033505466 10.356683 1243 Sample_07_pos.mzML 486066.9 0 349.23023603947246 10.357158 1244 Sample_07_pos.mzML 189288.0 0 371.2121607007718 10.357639 1246 Sample_07_pos.mzML 952211.2 0 176.12211343714353 10.358672 1249 Sample_07_pos.mzML 316633.97 0 197.1006803958095 10.360531 1251 Sample_07_pos.mzML 246575.25 0 130.09729229124068 10.370269 1252 Sample_07_pos.mzML 389461.03 0 246.18095223184145 10.376628 1254 Sample_07_pos.mzML 22532.623 0 364.0649180883176 10.324018 1256 Sample_07_pos.mzML 48939.12 0 272.1714484795354 10.424933 1258 Sample_07_pos.mzML 135877.39 0 257.1242348570159 10.465497 1259 Sample_07_pos.mzML 121299.734 0 285.2030842021909 10.469291 1260 Sample_07_pos.mzML 98725.09 0 156.0765780966775 10.469985 1261 Sample_07_pos.mzML 171093.1 0 442.74712460313145 10.470643 1263 Sample_07_pos.mzML 60860.46 0 347.228682719869 10.512813 1264 Sample_07_pos.mzML 64861.02 0 303.20249423925924 10.522915 1266 Sample_07_pos.mzML 82852.46 0 213.09809375538885 10.5390005 1267 Sample_07_pos.mzML 27918.51 0 589.1399646335841 10.551182 1271 Sample_07_pos.mzML 69089.85 0 156.07656270160743 10.643449 1272 Sample_07_pos.mzML 761420.8 0 175.11883104950437 10.63616 1276 Sample_07_pos.mzML 340050.66 0 148.11599366591082 10.651277 1278 Sample_07_pos.mzML 154908.38 0 191.07647587262292 10.651727 1279 Sample_07_pos.mzML 990066.75 0 130.0861855729082 10.652225 1280 Sample_07_pos.mzML 167681.5 0 84.08064494962149 10.652238 1281 Sample_07_pos.mzML 5149585.5 0 147.1127199612054 10.652242 1283 Sample_07_pos.mzML 122843.42 0 169.09453102570544 10.654132 1289 Sample_07_pos.mzML 120502.586 0 244.16534762312872 10.664137 1290 Sample_07_pos.mzML 66659.48 0 257.1969723050618 10.6713915 1293 Sample_07_pos.mzML 690989.5 0 133.09706985780863 10.722098 1295 Sample_07_pos.mzML 324476.66 0 116.07050095631276 10.722583 1296 Sample_07_pos.mzML 63772.426 0 489.2762008111585 10.794624 1298 Sample_07_pos.mzML 298914.8 0 175.11881153058343 10.751388 1310 Sample_07_pos.mzML 969738.1 0 304.03932259922425 10.842536 1317 Sample_07_pos.mzML 1605136.2 0 283.06144442783113 10.857608 1318 Sample_07_pos.mzML 845167.1 0 563.1074885117305 10.858048 1320 Sample_07_pos.mzML 19760622.0 0 282.05750541230793 10.858509 1321 Sample_07_pos.mzML 1711478.5 0 284.0531507149704 10.858556 1324 Sample_07_pos.mzML 434926.12 0 163.05334706421047 10.861239 1330 Sample_07_pos.mzML 526468.75 0 237.0359682970429 10.877342 1334 Sample_07_pos.mzML 114906.68 0 175.1187171353388 10.861039 1336 Sample_07_pos.mzML 19806.16 0 241.03078940211464 10.946838 1342 Sample_07_pos.mzML 1631962.8 0 246.1559001157775 10.92701 1345 Sample_07_pos.mzML 146456.56 0 247.15931781669644 10.927976 1346 Sample_07_pos.mzML 145050.2 0 243.1085915333856 10.930374 1348 Sample_07_pos.mzML 326482.1 0 163.0534682624983 10.963395 1349 Sample_07_pos.mzML 42450.688 0 241.0308201955841 10.969333 1350 Sample_07_pos.mzML 44456.67 0 158.91554905353604 10.985007 1352 Sample_07_pos.mzML 29995.143 0 284.0795279906775 11.007104 1353 Sample_07_pos.mzML 41393.562 0 285.1191553590796 11.007634 1354 Sample_07_pos.mzML 83089.91 0 218.14977569757968 11.019916 1355 Sample_07_pos.mzML 168245.67 0 276.1666669024399 11.127444 1356 Sample_07_pos.mzML 5830.0513 0 277.17032556111366 11.130445 1360 Sample_07_pos.mzML 0.0 0 270.11951370352017 11.143098 1361 Sample_07_pos.mzML 22860.77 0 477.7683038765202 11.143561 1362 Sample_07_pos.mzML 45519.24 0 218.149918302188 11.197883 1364 Sample_07_pos.mzML 0.0 0 175.11883005279304 11.212697 1365 Sample_07_pos.mzML 8212.307 0 248.16044847300984 11.214851 1366 Sample_07_pos.mzML 0.0 0 241.03097143373472 11.219297 1367 Sample_07_pos.mzML 72013.89 0 232.14043462663736 11.221642 1369 Sample_07_pos.mzML 0.0 0 282.057543479596 11.168553 1370 Sample_07_pos.mzML 81009.67 0 313.18703563912146 11.3278265 1371 Sample_07_pos.mzML 13308.945 0 248.1605684094749 11.336497 1374 Sample_07_pos.mzML 345386.75 0 277.1390483125494 11.51134 1376 Sample_07_pos.mzML 12048.019 0 278.1423901329732 11.513539 1377 Sample_07_pos.mzML 147453.78 0 282.057449726996 11.514416 1378 Sample_07_pos.mzML 470140.38 0 304.16126122413266 11.517955 1388 Sample_07_pos.mzML 864061.3 0 262.1506913923568 11.531592 1389 Sample_07_pos.mzML 545535.25 0 204.13402659101504 11.532012 1407 Sample_07_pos.mzML 988149.4 0 276.1550226035785 11.559689 1409 Sample_07_pos.mzML 73687260.0 0 241.03094338850485 11.5610075 1415 Sample_07_pos.mzML 6549230.0 0 243.02678201103345 11.562327 1426 Sample_07_pos.mzML 493068.5 0 303.1772234383022 11.568047 1437 Sample_07_pos.mzML 952131.0 0 251.166119732511 11.585159 1457 Sample_07_pos.mzML 821855.2 0 275.1710225348117 11.613685 1466 Sample_07_pos.mzML 1750701.5 0 263.0128023889946 11.642216 1469 Sample_07_pos.mzML 290611.56 0 278.98660980913854 11.648937 1471 Sample_07_pos.mzML 250809.75 0 396.2363286809719 11.677346 1473 Sample_07_pos.mzML 1217907.6 0 234.1446648417694 11.690246 1485 Sample_07_pos.mzML 636266.6 0 261.15555602427605 11.726382 1487 Sample_07_pos.mzML 309255.2 0 289.1616430518823 11.733912 1488 Sample_07_pos.mzML 64042.46 0 182.9849459620996 11.736179 1492 Sample_07_pos.mzML 90372.16 0 304.02686844036094 11.8071165 1499 Sample_07_pos.mzML 253334.9 0 151.03510544906462 11.850545 1503 Sample_07_pos.mzML 50957.05 0 278.9867347050311 11.727371 1509 Sample_07_pos.mzML 0.0 0 304.0269243781329 11.844499 1510 Sample_07_pos.mzML 154765.47 0 151.03514920449794 11.8673315 1515 Sample_07_pos.mzML 0.0 0 376.2189013075872 11.939273 1521 Sample_07_pos.mzML 0.0 0 473.3444755147893 12.102442 1522 Sample_07_pos.mzML 0.0 0 298.05247964856613 12.136988 1523 Sample_07_pos.mzML 27881.027 0 173.13408485930873 12.497563 1524 Sample_07_pos.mzML 24986.568 0 427.0952727376404 12.633031 1525 Sample_07_pos.mzML 10879.061 0 182.98494465025965 12.898163 1527 Sample_07_pos.mzML 2781182.8 0 167.01271717741983 12.917134 1528 Sample_07_pos.mzML 748620.75 0 255.94395639690367 12.917243 1530 Sample_07_pos.mzML 307446.38 0 385.9017133531906 12.921013 1531 Sample_07_pos.mzML 449382.97 0 143.99665492800966 12.922867 1533 Sample_07_pos.mzML 1769170.0 0 125.98620278672723 12.925508 1536 Sample_07_pos.mzML 298092.75 0 282.9047940378916 12.953278 1539 Sample_07_pos.mzML 37904.656 0 491.7875226546853 13.435786 1540 Sample_07_pos.mzML 75117.266 0 167.01272908201915 14.068723 1541 Sample_07_pos.mzML 0.0 0 241.03094812769385 14.083734 1542 Sample_07_pos.mzML 1994.9275 0 125.9861272213276 14.077281 1543 Sample_07_pos.mzML 1748.4883 0 241.03092328785684 14.2579565 1544 Sample_07_pos.mzML 59197.535 0 125.98610652607104 14.2632475 1545 Sample_07_pos.mzML 403381.25 0 125.9860987016528 14.282119 1546 Sample_07_pos.mzML 1052621.8 0 167.01266837053672 14.29509 1547 Sample_07_pos.mzML 1940.4392 0 241.03092878208284 14.737781 1548 Sample_07_pos.mzML 1981.4075 0 241.03095848676367 15.381517 1549 Sample_07_pos.mzML 13766.854 0 241.03092431621664 15.560758 1550 Sample_07_pos.mzML 72748.42 0 125.98607678073093 19.125986 1551 Sample_07_pos.mzML 73134.29 0 125.986068468798 19.237349 1 Sample_06_pos.mzML 54953.96 0 124.08669564836464 0.884114 2 Sample_06_pos.mzML 5536.063 0 709.5135709142155 0.9277029 3 Sample_06_pos.mzML 21333.578 0 708.5102830575064 0.92855316 4 Sample_06_pos.mzML 4131.689 0 680.4788218943072 0.94213986 5 Sample_06_pos.mzML 2865.459 0 663.4525341847894 0.94251555 8 Sample_06_pos.mzML 70059.83 0 124.0866635483428 0.9758523 13 Sample_06_pos.mzML 51498.22 0 338.3410184191165 0.94918865 14 Sample_06_pos.mzML 25081.357 0 228.19530207513023 0.9487448 15 Sample_06_pos.mzML 33515.973 0 431.3836089366016 0.94785005 16 Sample_06_pos.mzML 35204.477 0 171.14883588649835 0.96850353 18 Sample_06_pos.mzML 331622.9 0 392.253772671759 0.95138794 19 Sample_06_pos.mzML 4607.2446 0 144.98179283118262 0.9658699 24 Sample_06_pos.mzML 2751487.8 0 394.2890043118055 0.9663088 25 Sample_06_pos.mzML 12236356.0 0 393.2855729410101 0.9663088 27 Sample_06_pos.mzML 763590.3 0 377.2624336443359 0.96850294 34 Sample_06_pos.mzML 3324012.0 0 376.2589851838652 0.9727521 38 Sample_06_pos.mzML 1585551.8 0 421.31661595485554 0.9779623 39 Sample_06_pos.mzML 34755.477 0 88.07551193113026 0.97947496 53 Sample_06_pos.mzML 53615.17 0 124.08666138918748 0.993165 56 Sample_06_pos.mzML 737951.06 0 377.2624197988114 0.9718469 59 Sample_06_pos.mzML 149420.6 0 432.2372666227246 1.0112926 62 Sample_06_pos.mzML 1301149.4 0 421.3166253437647 0.97587925 63 Sample_06_pos.mzML 82647.66 0 387.179513993051 1.0174752 64 Sample_06_pos.mzML 87768.18 0 404.206042018552 1.0174752 66 Sample_06_pos.mzML 34755.477 0 88.07550968410891 0.9884599 67 Sample_06_pos.mzML 2633014.5 0 394.2889108048021 0.9842202 68 Sample_06_pos.mzML 40553.75 0 351.23847785630625 1.0211498 70 Sample_06_pos.mzML 11680862.0 0 393.2854598750544 0.9889083 73 Sample_06_pos.mzML 3096444.0 0 376.25890207776246 0.99538916 74 Sample_06_pos.mzML 0.0 0 288.2529471652366 1.0429213 75 Sample_06_pos.mzML 19503.145 0 331.0807619477385 1.0405952 77 Sample_06_pos.mzML 31202.688 0 326.3776187676901 1.0575842 78 Sample_06_pos.mzML 5328.3135 0 171.14889188727136 1.0486741 79 Sample_06_pos.mzML 1636.8005 0 327.3810916038047 1.0591878 80 Sample_06_pos.mzML 13771.415 0 163.13257303241096 1.0823013 81 Sample_06_pos.mzML 513720.1 0 393.2854036509345 1.0183046 83 Sample_06_pos.mzML 100921.32 0 244.1904237605233 1.0973613 84 Sample_06_pos.mzML 102298.836 0 226.1798566023925 1.0981086 85 Sample_06_pos.mzML 52399.992 0 266.17230843797444 1.0986773 86 Sample_06_pos.mzML 10041.278 0 227.1831032067456 1.0987782 87 Sample_06_pos.mzML 19939.662 0 304.29949433328 1.1027321 88 Sample_06_pos.mzML 0.0 0 305.30293167052633 1.1067916 92 Sample_06_pos.mzML 22159.203 0 251.18498943129944 1.1416863 93 Sample_06_pos.mzML 48766.137 0 124.08670965523844 1.1556855 94 Sample_06_pos.mzML 22540.055 0 216.0559227001227 1.1569017 95 Sample_06_pos.mzML 3546798.5 0 214.04970061718825 1.1580465 97 Sample_06_pos.mzML 448476.0 0 215.0529211514825 1.1586148 98 Sample_06_pos.mzML 35298.12 0 212.14716102940864 1.1687001 99 Sample_06_pos.mzML 14761.291 0 258.2788169776792 1.167492 100 Sample_06_pos.mzML 104889.55 0 88.07553334535379 1.1669827 101 Sample_06_pos.mzML 38359.848 0 180.10163704706503 1.1693052 102 Sample_06_pos.mzML 0.0 0 259.28220830541363 1.1698533 103 Sample_06_pos.mzML 383027.78 0 211.143882330612 1.1725975 104 Sample_06_pos.mzML 65799.71 0 367.2087928080393 1.1786896 106 Sample_06_pos.mzML 19239.453 0 164.07039862833477 1.1870936 107 Sample_06_pos.mzML 27348.8 0 245.1281492380409 1.1915327 108 Sample_06_pos.mzML 21302.246 0 284.13905400436323 1.1924504 110 Sample_06_pos.mzML 30223.078 0 230.2476229409027 1.208052 111 Sample_06_pos.mzML 0.0 0 231.2509189682441 1.2119467 113 Sample_06_pos.mzML 29079.662 0 245.1282150522416 1.2145875 114 Sample_06_pos.mzML 42739.285 0 197.1282601988709 1.232969 115 Sample_06_pos.mzML 4242.7583 0 200.23706200725795 1.2285993 116 Sample_06_pos.mzML 1647.7867 0 402.3573877818645 1.2316772 117 Sample_06_pos.mzML 12672.988 0 144.04758008856655 1.2390124 119 Sample_06_pos.mzML 19899.637 0 284.1390667992057 1.1856359 120 Sample_06_pos.mzML 17649.195 0 110.05986025284652 1.3090072 121 Sample_06_pos.mzML 134783.4 0 156.10173858023458 1.2697691 122 Sample_06_pos.mzML 23844.328 0 590.2061363974616 1.27046 123 Sample_06_pos.mzML 16395.71 0 138.09113936072484 1.286875 124 Sample_06_pos.mzML 159885.84 0 96.0442997411288 1.286875 125 Sample_06_pos.mzML 98286.086 0 162.06601688304164 1.2898526 127 Sample_06_pos.mzML 1574.6678 0 170.11734099333302 1.2949688 128 Sample_06_pos.mzML 1800.2058 0 210.1097480469689 1.3193958 129 Sample_06_pos.mzML 1562.9514 0 146.98014902199242 1.2979198 130 Sample_06_pos.mzML 43625.656 0 197.12825593496416 1.2959038 131 Sample_06_pos.mzML 20128.57 0 144.98196187706563 1.3213226 135 Sample_06_pos.mzML 14727.936 0 169.07576992147565 1.3398076 137 Sample_06_pos.mzML 87800.56 0 246.1519543589688 1.3437899 138 Sample_06_pos.mzML 37016.074 0 195.11265710236808 1.3443106 140 Sample_06_pos.mzML 41910.145 0 154.0860441472675 1.3451465 142 Sample_06_pos.mzML 78464.68 0 110.0598549901638 1.3488079 148 Sample_06_pos.mzML 69852.336 0 243.14891618061824 1.3506924 151 Sample_06_pos.mzML 183760.16 0 126.05477443803215 1.3522042 152 Sample_06_pos.mzML 125597.5 0 100.07552017645202 1.3522406 156 Sample_06_pos.mzML 360253.16 0 283.12204191444454 1.3535328 166 Sample_06_pos.mzML 0.0 0 298.0965493713124 1.3567747 167 Sample_06_pos.mzML 143531.19 0 227.17513409439653 1.3601131 170 Sample_06_pos.mzML 73932.95 0 239.1486489095845 1.3637681 171 Sample_06_pos.mzML 64874.145 0 332.20810646332137 1.3653196 173 Sample_06_pos.mzML 393408.78 0 331.2046411437328 1.3668481 175 Sample_06_pos.mzML 62267.836 0 353.18635058440617 1.3700385 177 Sample_06_pos.mzML 54368.49 0 124.08674078601246 1.378172 178 Sample_06_pos.mzML 925466.0 0 123.05520806435112 1.3835589 181 Sample_06_pos.mzML 54600.07 0 224.07373638627203 1.3882531 182 Sample_06_pos.mzML 116637.14 0 195.1224565621741 1.3905834 184 Sample_06_pos.mzML 5294.0234 0 210.1097363228984 1.3884922 187 Sample_06_pos.mzML 346706.78 0 283.1220435150896 1.3583255 190 Sample_06_pos.mzML 21713.38 0 195.11287983767883 1.3899492 191 Sample_06_pos.mzML 22750.07 0 249.13438273444345 1.4200606 192 Sample_06_pos.mzML 0.0 0 105.06971063859694 1.4354923 193 Sample_06_pos.mzML 50766.23 0 393.28554314722027 1.3910813 195 Sample_06_pos.mzML 67724.98 0 124.08674995537856 1.3871161 196 Sample_06_pos.mzML 47697.098 0 393.28567548041735 1.4236475 197 Sample_06_pos.mzML 14210.109 0 151.09631717250656 1.4888855 198 Sample_06_pos.mzML 22628.924 0 348.14383698933153 1.4761354 199 Sample_06_pos.mzML 25679.799 0 375.0811540275393 1.489473 201 Sample_06_pos.mzML 14320.261 0 353.0992471828444 1.4867625 202 Sample_06_pos.mzML 10846.487 0 337.03648815326005 1.5395262 203 Sample_06_pos.mzML 18736.24 0 321.06256590229526 1.5395222 204 Sample_06_pos.mzML 0.0 0 298.0966397086858 1.6940964 205 Sample_06_pos.mzML 49572.457 0 190.08951118437503 1.7135324 206 Sample_06_pos.mzML 8308.498 0 144.98195244122175 1.9972055 207 Sample_06_pos.mzML 93805.36 0 190.0894178152409 1.9916908 208 Sample_06_pos.mzML 23583.0 0 146.08097871921322 1.9896737 209 Sample_06_pos.mzML 139651.23 0 267.1449176772506 1.9950703 210 Sample_06_pos.mzML 133244.98 0 152.07041948711262 2.0314512 211 Sample_06_pos.mzML 2723963.2 0 170.08106776554337 2.0327005 212 Sample_06_pos.mzML 219404.36 0 171.08430196994564 2.037283 213 Sample_06_pos.mzML 37273.94 0 331.2046255896961 2.049584 214 Sample_06_pos.mzML 35303.938 0 212.10276003144267 2.2255604 215 Sample_06_pos.mzML 250133.58 0 176.07386576343754 2.2393477 216 Sample_06_pos.mzML 0.0 0 395.1961437435049 2.25555 217 Sample_06_pos.mzML 18159.602 0 171.07623002808543 2.4603689 218 Sample_06_pos.mzML 0.0 0 136.06166758377617 2.4618294 219 Sample_06_pos.mzML 27908.775 0 162.99758522735817 2.464494 220 Sample_06_pos.mzML 49357.395 0 176.07378886026444 2.466533 221 Sample_06_pos.mzML 88090.21 0 212.1027452521681 2.4712422 222 Sample_06_pos.mzML 52728.066 0 234.0846850483877 2.4712543 224 Sample_06_pos.mzML 75002.19 0 251.1500001009124 2.490054 225 Sample_06_pos.mzML 128502.33 0 170.08096549677393 2.497286 227 Sample_06_pos.mzML 179845.44 0 242.09971739527816 2.5311325 228 Sample_06_pos.mzML 406017.88 0 220.11781080236509 2.5324228 229 Sample_06_pos.mzML 34398.52 0 221.1210520053073 2.5324228 231 Sample_06_pos.mzML 427226.1 0 137.04566565562763 2.61302 232 Sample_06_pos.mzML 246952.98 0 167.09253949646646 2.6150174 233 Sample_06_pos.mzML 409281.12 0 159.02756167849526 2.6262987 234 Sample_06_pos.mzML 213271.81 0 175.00145180579432 2.6233456 235 Sample_06_pos.mzML 58011.32 0 83.06022538821384 2.6915092 236 Sample_06_pos.mzML 259645.0 0 159.02754096432605 2.6711876 238 Sample_06_pos.mzML 986374.8 0 269.1074820276356 2.733594 239 Sample_06_pos.mzML 107596.48 0 136.06159150189967 2.7327607 240 Sample_06_pos.mzML 9567661.0 0 268.103853951424 2.735583 241 Sample_06_pos.mzML 28621.375 0 124.0867204867036 2.7465951 242 Sample_06_pos.mzML 61152.137 0 206.04549179878435 2.7396824 246 Sample_06_pos.mzML 109456.305 0 169.05813466701616 2.7622888 247 Sample_06_pos.mzML 20400.355 0 147.07620312825443 2.7634428 249 Sample_06_pos.mzML 121193.83 0 251.14995309511343 2.8096216 250 Sample_06_pos.mzML 8708.659 0 124.08672952186082 2.7857726 251 Sample_06_pos.mzML 76612.016 0 166.07212983034697 2.8522704 252 Sample_06_pos.mzML 28728.441 0 86.09628372212455 2.8936963 253 Sample_06_pos.mzML 294370.62 0 162.0582063782167 2.922553 254 Sample_06_pos.mzML 41342.52 0 158.08114129553522 3.0417824 255 Sample_06_pos.mzML 51125.844 0 124.03925425687731 3.3331635 256 Sample_06_pos.mzML 25166.523 0 131.11768354659372 3.5462894 259 Sample_06_pos.mzML 47638.2 0 147.03008748928804 3.6102345 265 Sample_06_pos.mzML 64201.617 0 237.1342771902892 3.554259 268 Sample_06_pos.mzML 2130931.0 0 104.10690922607166 3.615613 270 Sample_06_pos.mzML 113926.07 0 105.1101628079843 3.5773337 276 Sample_06_pos.mzML 106145.31 0 356.99219855042145 3.6094525 277 Sample_06_pos.mzML 393528.78 0 257.10061043785606 3.6021051 278 Sample_06_pos.mzML 1447180.9 0 235.11878342337727 3.6104362 279 Sample_06_pos.mzML 2960390.8 0 104.10691140742011 3.6254394 281 Sample_06_pos.mzML 2023446.4 0 146.02691561369866 3.617239 282 Sample_06_pos.mzML 569738.1 0 189.99069726862683 3.6186962 284 Sample_06_pos.mzML 3278006.0 0 104.10691151684348 3.6318386 285 Sample_06_pos.mzML 167225.53 0 105.11016638499711 3.6433537 286 Sample_06_pos.mzML 404202.06 0 270.1921498403816 3.6826499 289 Sample_06_pos.mzML 461695.78 0 307.0436219791634 3.8853528 297 Sample_06_pos.mzML 956835.06 0 291.0697298907951 3.9010928 298 Sample_06_pos.mzML 191130.81 0 257.1006228106187 3.904753 299 Sample_06_pos.mzML 122148.234 0 270.1921248236023 3.9918861 305 Sample_06_pos.mzML 1116113.4 0 235.11874356344256 3.9848194 307 Sample_06_pos.mzML 617359.4 0 146.02687268396707 3.9806588 308 Sample_06_pos.mzML 217407.48 0 314.09137691435643 3.989151 310 Sample_06_pos.mzML 454493.7 0 269.0877500718245 3.9971244 311 Sample_06_pos.mzML 289108.6 0 270.1921288646996 3.9987442 313 Sample_06_pos.mzML 536645.94 0 137.04561392556303 4.0023994 314 Sample_06_pos.mzML 106966.945 0 268.1037209235785 4.003829 315 Sample_06_pos.mzML 104125.02 0 163.05335215225128 4.0424848 317 Sample_06_pos.mzML 302522.94 0 152.05653168599866 4.009559 321 Sample_06_pos.mzML 2849414.8 0 148.04256672639687 4.012652 324 Sample_06_pos.mzML 105174.914 0 213.08672615987487 4.018884 334 Sample_06_pos.mzML 58579.273 0 245.18571573726572 4.136272 345 Sample_06_pos.mzML 58538.24 0 134.11737910350053 4.1628757 348 Sample_06_pos.mzML 242085.31 0 163.0533777453292 4.1968255 349 Sample_06_pos.mzML 0.0 0 137.04558546014155 4.19949 352 Sample_06_pos.mzML 22753.055 0 268.1037602942401 4.2119775 353 Sample_06_pos.mzML 73116.72 0 229.118040650464 4.229315 354 Sample_06_pos.mzML 194259.44 0 245.18574102113112 4.2097106 356 Sample_06_pos.mzML 56605.613 0 200.10278438614216 4.2574863 357 Sample_06_pos.mzML 30138.395 0 268.1037589105309 4.217879 358 Sample_06_pos.mzML 22215.725 0 270.1922424181455 4.279421 359 Sample_06_pos.mzML 0.0 0 189.99075931378115 4.327314 360 Sample_06_pos.mzML 33959.426 0 134.11743645494067 4.2845025 361 Sample_06_pos.mzML 0.0 0 242.18611577228643 4.3433714 362 Sample_06_pos.mzML 26492.957 0 304.1765208263302 4.7402077 363 Sample_06_pos.mzML 0.0 0 172.13294299742864 4.7589955 364 Sample_06_pos.mzML 0.0 0 189.9905913432856 4.772744 367 Sample_06_pos.mzML 295644.78 0 159.09139985691644 4.8108883 371 Sample_06_pos.mzML 1261006.9 0 120.08061352243423 4.8438725 372 Sample_06_pos.mzML 886462.9 0 167.08935800092092 4.845658 373 Sample_06_pos.mzML 830732.7 0 266.07438437754746 4.819725 375 Sample_06_pos.mzML 476069.03 0 249.0607079423268 4.8210406 378 Sample_06_pos.mzML 2513405.0 0 205.09695945152035 4.8233333 380 Sample_06_pos.mzML 1961508.2 0 188.07038343865275 4.8246927 384 Sample_06_pos.mzML 1582801.8 0 188.07038967593124 4.8265615 385 Sample_06_pos.mzML 770381.5 0 266.07438495902727 4.8215938 390 Sample_06_pos.mzML 13264823.0 0 166.08609631348253 4.846532 391 Sample_06_pos.mzML 329873.12 0 146.02679892343698 4.84755 392 Sample_06_pos.mzML 1834109.1 0 120.08061021815044 4.850492 393 Sample_06_pos.mzML 2872173.0 0 176.11331845539647 4.850525 405 Sample_06_pos.mzML 13399.518 0 124.08671779184456 4.861618 406 Sample_06_pos.mzML 288303.16 0 242.18597353886392 4.893828 414 Sample_06_pos.mzML 923895.4 0 167.0893640074416 4.8583703 415 Sample_06_pos.mzML 1155825.6 0 188.070370874549 4.853523 432 Sample_06_pos.mzML 7771455.0 0 132.10181358254428 5.070786 439 Sample_06_pos.mzML 2105259.8 0 134.10843493246685 5.0749183 440 Sample_06_pos.mzML 38958344.0 0 133.10514633013727 5.075796 441 Sample_06_pos.mzML 11056033.0 0 132.10180873486888 5.0757966 442 Sample_06_pos.mzML 983024.2 0 254.16086399050823 5.076235 444 Sample_06_pos.mzML 7848532.5 0 86.09634855868607 5.0771127 460 Sample_06_pos.mzML 899782.0 0 231.1700284982437 5.157729 462 Sample_06_pos.mzML 6317628.5 0 86.09635085819752 5.0803976 464 Sample_06_pos.mzML 8843205.0 0 132.1018131478376 5.079959 465 Sample_06_pos.mzML 31269416.0 0 133.10514770247934 5.0799584 466 Sample_06_pos.mzML 1687145.6 0 134.10843686992123 5.079081 471 Sample_06_pos.mzML 958431.4 0 231.17003514728088 5.1624675 472 Sample_06_pos.mzML 294908.88 0 177.068867688938 5.0954223 476 Sample_06_pos.mzML 161551.7 0 146.02680791872297 5.2020907 482 Sample_06_pos.mzML 401544.97 0 170.06097130330835 5.208097 485 Sample_06_pos.mzML 316609.62 0 322.054438749271 5.261234 486 Sample_06_pos.mzML 780381.4 0 306.0806507387645 5.269045 487 Sample_06_pos.mzML 375050.7 0 284.09869474213104 5.2824006 490 Sample_06_pos.mzML 1026438.1 0 254.1609829416835 5.2925267 498 Sample_06_pos.mzML 140934.78 0 228.1703774765928 5.428404 499 Sample_06_pos.mzML 730698.06 0 254.16093846752423 5.4288635 500 Sample_06_pos.mzML 159418.05 0 176.06557454370355 5.4312606 501 Sample_06_pos.mzML 1137013.8 0 86.09634303157317 5.453327 502 Sample_06_pos.mzML 5084409.5 0 132.10179944532445 5.452833 505 Sample_06_pos.mzML 1087784.2 0 133.10515142846097 5.4484563 506 Sample_06_pos.mzML 5465833.0 0 132.10179448037488 5.4554677 507 Sample_06_pos.mzML 1273232.6 0 86.09633268244676 5.4559617 508 Sample_06_pos.mzML 85446.74 0 192.0394553458964 5.4579144 510 Sample_06_pos.mzML 755720.1 0 254.160928157678 5.431993 518 Sample_06_pos.mzML 348684.16 0 208.01345244401543 5.4915414 529 Sample_06_pos.mzML 936867.25 0 122.9244093086683 5.570595 530 Sample_06_pos.mzML 339873.0 0 458.7694151411931 5.5711894 532 Sample_06_pos.mzML 593165.8 0 206.88568577248728 5.572176 534 Sample_06_pos.mzML 374781.9 0 542.7307149004203 5.5728345 537 Sample_06_pos.mzML 1187690.9 0 290.8469756666516 5.574323 539 Sample_06_pos.mzML 337661.06 0 292.84486404160776 5.57543 546 Sample_06_pos.mzML 36088628.0 0 118.086136282161 5.6935368 547 Sample_06_pos.mzML 1915065.6 0 119.08943078666724 5.6957307 549 Sample_06_pos.mzML 495199.6 0 158.03999253356488 5.6885877 558 Sample_06_pos.mzML 40950890.0 0 118.08614084735753 5.695406 559 Sample_06_pos.mzML 6412387.0 0 156.0419594783285 5.700437 561 Sample_06_pos.mzML 108777.125 0 133.10503503876865 5.7478676 563 Sample_06_pos.mzML 2167713.2 0 119.08942925468972 5.6976 564 Sample_06_pos.mzML 2646577.0 0 235.1649571996301 5.6980495 573 Sample_06_pos.mzML 6788994.0 0 273.1208172600843 5.7226243 586 Sample_06_pos.mzML 1129366.8 0 150.0580937823089 5.736668 587 Sample_06_pos.mzML 1828295.5 0 257.14684101952525 5.737107 591 Sample_06_pos.mzML 3753273.2 0 163.05338891159045 5.738424 603 Sample_06_pos.mzML 1164609.0 0 107.0714836044441 5.7414956 604 Sample_06_pos.mzML 2437496.0 0 136.05042953346918 5.741495 606 Sample_06_pos.mzML 19755552.0 0 153.07702607515895 5.742373 609 Sample_06_pos.mzML 942492.9 0 201.00917974363804 5.743689 617 Sample_06_pos.mzML 1922406.9 0 156.04195771190652 5.7104034 621 Sample_06_pos.mzML 3696523.8 0 273.12082086293464 5.7262015 622 Sample_06_pos.mzML 126549.12 0 132.10170818206214 5.7288346 628 Sample_06_pos.mzML 242800.66 0 133.10504212972964 5.765699 640 Sample_06_pos.mzML 513058.84 0 217.15447541961305 5.817688 659 Sample_06_pos.mzML 260274.94 0 203.13879992661973 5.825148 660 Sample_06_pos.mzML 643431.44 0 215.13885933944832 5.825148 674 Sample_06_pos.mzML 230377.75 0 138.0547721930798 5.8345313 678 Sample_06_pos.mzML 148770.97 0 227.15804343513688 5.843843 679 Sample_06_pos.mzML 1302842.2 0 226.1548276939271 5.84388 683 Sample_06_pos.mzML 918328.56 0 118.08618244730933 5.818649 685 Sample_06_pos.mzML 180265.3 0 197.040867463821 5.8871245 686 Sample_06_pos.mzML 150700.75 0 320.17136170937744 5.910408 687 Sample_06_pos.mzML 861302.4 0 115.08651467149711 5.9351325 688 Sample_06_pos.mzML 244516.38 0 137.06841851907743 5.936834 690 Sample_06_pos.mzML 280708.56 0 265.11149031603264 5.9485784 691 Sample_06_pos.mzML 113283.055 0 228.14534892007973 6.0084243 693 Sample_06_pos.mzML 290329.56 0 226.1548933204581 6.043236 695 Sample_06_pos.mzML 596837.9 0 228.1454157073448 6.1668887 698 Sample_06_pos.mzML 1653595.9 0 118.08615791324712 6.2560725 699 Sample_06_pos.mzML 59752.668 0 132.10171546003687 6.300898 700 Sample_06_pos.mzML 350294.75 0 133.10509747646654 6.288588 701 Sample_06_pos.mzML 379282.4 0 153.07699495948592 6.2302094 708 Sample_06_pos.mzML 187719.84 0 298.02467259368444 6.2890944 710 Sample_06_pos.mzML 615621.56 0 162.0499397667938 6.361732 711 Sample_06_pos.mzML 1270923.2 0 118.08612947184405 6.2692437 713 Sample_06_pos.mzML 1976457.0 0 90.976550099308 6.411321 717 Sample_06_pos.mzML 249014.53 0 133.10506197129337 6.3418784 723 Sample_06_pos.mzML 85592.805 0 132.10170322970416 6.3238697 729 Sample_06_pos.mzML 4809834.5 0 430.9133167798752 6.445311 730 Sample_06_pos.mzML 3200712.5 0 498.9006283059093 6.4422398 733 Sample_06_pos.mzML 2487339.0 0 566.887996552571 6.4444346 742 Sample_06_pos.mzML 969533.4 0 162.049928906656 6.3924384 743 Sample_06_pos.mzML 2983837.0 0 566.8879974709893 6.465941 744 Sample_06_pos.mzML 146332.06 0 298.0246176631577 6.392486 746 Sample_06_pos.mzML 3887048.0 0 90.9765516798645 6.4571624 752 Sample_06_pos.mzML 5996361.5 0 362.925952839678 6.459356 753 Sample_06_pos.mzML 6167913.5 0 430.91332032039486 6.4764752 754 Sample_06_pos.mzML 3732825.8 0 498.9006293329196 6.464187 760 Sample_06_pos.mzML 6178501.5 0 430.9133173583412 6.47867 763 Sample_06_pos.mzML 7582981.0 0 362.9259521619515 6.46155 768 Sample_06_pos.mzML 5316541.5 0 498.9006350513378 6.4663815 772 Sample_06_pos.mzML 4153734.8 0 566.8880079908274 6.4703307 774 Sample_06_pos.mzML 34641784.0 0 226.95130605314407 6.4734025 776 Sample_06_pos.mzML 5052545.5 0 158.96391743043827 6.475264 777 Sample_06_pos.mzML 4999067.5 0 90.97655184812557 6.4699974 783 Sample_06_pos.mzML 7903794.0 0 430.913321997725 6.485361 797 Sample_06_pos.mzML 1846166.9 0 498.9006368424921 6.481851 798 Sample_06_pos.mzML 2215241.8 0 566.8880087807638 6.490188 801 Sample_06_pos.mzML 1218882.9 0 116.07045588148864 6.535134 806 Sample_06_pos.mzML 2064512.2 0 90.97654696859416 6.497805 807 Sample_06_pos.mzML 336981.0 0 133.1050813977587 6.57356 820 Sample_06_pos.mzML 71092.47 0 258.15586908713766 6.8444924 821 Sample_06_pos.mzML 107889.15 0 301.96555337204217 6.8449597 822 Sample_06_pos.mzML 355927.1 0 214.12973993847905 6.8736024 826 Sample_06_pos.mzML 231020.88 0 376.979765282261 6.890302 833 Sample_06_pos.mzML 228856.02 0 308.9923908286443 6.898309 835 Sample_06_pos.mzML 92022.92 0 173.09190815945408 6.8987 836 Sample_06_pos.mzML 1049120.4 0 165.99085411729348 6.9019084 837 Sample_06_pos.mzML 119967.79 0 451.9939689509807 6.901796 842 Sample_06_pos.mzML 569962.2 0 122.02695576262852 6.907451 845 Sample_06_pos.mzML 51270.676 0 241.0309804045192 6.929818 848 Sample_06_pos.mzML 177430.0 0 118.08612324531742 6.906456 850 Sample_06_pos.mzML 562725.2 0 122.02695713603926 6.910003 853 Sample_06_pos.mzML 106053.125 0 208.1806931005108 6.967325 857 Sample_06_pos.mzML 84862.27 0 226.95139637449867 7.056883 858 Sample_06_pos.mzML 140472.22 0 258.156014085099 7.159303 859 Sample_06_pos.mzML 26433.494 0 104.07052981519426 7.1661315 860 Sample_06_pos.mzML 78295.19 0 226.9514186720039 7.1463103 861 Sample_06_pos.mzML 0.0 0 245.9476010251665 7.220245 862 Sample_06_pos.mzML 0.0 0 201.9837410781343 7.2195973 863 Sample_06_pos.mzML 0.0 0 267.92949707305337 7.2172837 864 Sample_06_pos.mzML 93723.625 0 90.05496978874557 7.6612244 865 Sample_06_pos.mzML 37675.734 0 244.140503738826 7.6647267 866 Sample_06_pos.mzML 16398.379 0 230.14997669311865 7.6839995 867 Sample_06_pos.mzML 29502.379 0 134.01883779940704 7.6638207 868 Sample_06_pos.mzML 37437.918 0 328.0301594961641 7.9222236 869 Sample_06_pos.mzML 75620.13 0 306.048316086854 7.914533 870 Sample_06_pos.mzML 57364.77 0 285.1667082325685 7.933275 871 Sample_06_pos.mzML 39018.504 0 387.2709948049544 7.9394317 872 Sample_06_pos.mzML 75550.73 0 187.10747655608205 7.93947 877 Sample_06_pos.mzML 155780.42 0 197.0894356361632 7.961445 879 Sample_06_pos.mzML 653408.25 0 269.16060472372754 7.962421 880 Sample_06_pos.mzML 275386.7 0 346.05434588118914 7.9639306 881 Sample_06_pos.mzML 190284.11 0 271.1510202898235 7.9642925 890 Sample_06_pos.mzML 163694.31 0 129.06566925010313 7.9716926 891 Sample_06_pos.mzML 1067225.6 0 120.06545039741656 7.972265 894 Sample_06_pos.mzML 351938.38 0 164.02922326766455 7.9790225 895 Sample_06_pos.mzML 182970.94 0 133.10507612878197 7.9839897 896 Sample_06_pos.mzML 126568.16 0 153.07696300828565 7.981729 899 Sample_06_pos.mzML 163694.31 0 129.06566954676447 7.973686 901 Sample_06_pos.mzML 686105.2 0 233.10652019611663 7.9997315 904 Sample_06_pos.mzML 209186.19 0 217.12933749214804 8.017409 909 Sample_06_pos.mzML 34982.023 0 205.11810687589983 8.066115 910 Sample_06_pos.mzML 72261.336 0 176.09158435507644 8.110695 911 Sample_06_pos.mzML 69063.6 0 120.06538793621888 8.095319 912 Sample_06_pos.mzML 203869.8 0 216.13414402314515 8.137809 913 Sample_06_pos.mzML 64231.35 0 254.110947332547 8.13853 918 Sample_06_pos.mzML 42689.645 0 142.09734305994664 8.155034 919 Sample_06_pos.mzML 58525.465 0 247.12867941295664 8.191632 920 Sample_06_pos.mzML 58891.734 0 203.11372007085788 8.203923 921 Sample_06_pos.mzML 33711.625 0 246.1446736791892 8.23056 922 Sample_06_pos.mzML 109222.22 0 261.1443564364716 8.234616 923 Sample_06_pos.mzML 26018.05 0 283.12626085214976 8.235302 924 Sample_06_pos.mzML 106417.16 0 269.16066025719937 8.241423 925 Sample_06_pos.mzML 16091.242 0 226.9513300667016 8.252555 926 Sample_06_pos.mzML 11566.483 0 118.0861033091863 8.375219 927 Sample_06_pos.mzML 0.0 0 244.0942511712273 8.360445 928 Sample_06_pos.mzML 25045.43 0 201.1788423536045 8.363343 929 Sample_06_pos.mzML 301389.94 0 200.1756825779179 8.360786 930 Sample_06_pos.mzML 28425.828 0 226.9513188023629 8.36787 931 Sample_06_pos.mzML 18894.049 0 217.1181167414713 8.373118 932 Sample_06_pos.mzML 28521.8 0 265.12695885890884 8.393177 933 Sample_06_pos.mzML 18420.469 0 365.105201429741 8.39588 934 Sample_06_pos.mzML 10452.794 0 157.16978702908858 8.416748 935 Sample_06_pos.mzML 6448.7944 0 205.11817679551444 8.449443 936 Sample_06_pos.mzML 42580.09 0 166.0531984049978 8.511632 937 Sample_06_pos.mzML 0.0 0 210.01689084731828 8.517229 938 Sample_06_pos.mzML 56592.043 0 574.1288443930529 8.598261 939 Sample_06_pos.mzML 89197.27 0 188.03499184859004 8.604352 940 Sample_06_pos.mzML 33207.164 0 166.05302736240878 8.598813 941 Sample_06_pos.mzML 0.0 0 147.07628217729822 8.606629 942 Sample_06_pos.mzML 0.0 0 169.0581892689462 8.606629 944 Sample_06_pos.mzML 111618.734 0 175.10751430696803 8.61571 945 Sample_06_pos.mzML 150387.53 0 258.14458594133026 8.616849 949 Sample_06_pos.mzML 559262.2 0 106.0497993519311 8.619147 951 Sample_06_pos.mzML 62687.88 0 227.09996497608665 8.619727 953 Sample_06_pos.mzML 79064.25 0 365.1050858603464 8.622464 954 Sample_06_pos.mzML 71032.56 0 277.03801398466214 8.624969 957 Sample_06_pos.mzML 419608.94 0 230.1133787668119 8.627342 958 Sample_06_pos.mzML 108976.21 0 150.01357254868546 8.627431 964 Sample_06_pos.mzML 123924.18 0 268.12651808851587 8.64582 965 Sample_06_pos.mzML 68452.41 0 246.14460651871127 8.647682 966 Sample_06_pos.mzML 48838.99 0 118.0860713755489 8.666564 970 Sample_06_pos.mzML 100557.17 0 331.0597083994683 8.728163 971 Sample_06_pos.mzML 297970.22 0 177.02446857919654 8.73112 974 Sample_06_pos.mzML 415253.72 0 155.04258957375788 8.740393 975 Sample_06_pos.mzML 415226.62 0 230.1133464625389 8.74039 979 Sample_06_pos.mzML 843269.8 0 133.0606595880094 8.745018 980 Sample_06_pos.mzML 185159.36 0 286.15069933735964 8.763644 982 Sample_06_pos.mzML 203933.97 0 247.12860338588263 8.766978 988 Sample_06_pos.mzML 86134.28 0 361.1977693027184 8.791953 994 Sample_06_pos.mzML 678130.0 0 296.0656615542094 8.852614 995 Sample_06_pos.mzML 2689492.5 0 280.0918526920189 8.8539295 998 Sample_06_pos.mzML 1002046.2 0 537.1943231163153 8.85701 999 Sample_06_pos.mzML 818442.5 0 259.11326523868405 8.8587675 1003 Sample_06_pos.mzML 9652067.0 0 258.1099364516471 8.860084 1009 Sample_06_pos.mzML 189574.03 0 153.07693685054173 8.865781 1016 Sample_06_pos.mzML 276802.75 0 322.1869685406384 8.8856325 1019 Sample_06_pos.mzML 311544.1 0 348.0696595688975 8.905177 1020 Sample_06_pos.mzML 139577.28 0 156.14936280240056 8.929667 1023 Sample_06_pos.mzML 186760.2 0 255.14499651185736 8.961529 1026 Sample_06_pos.mzML 122400.43 0 198.0847628014792 8.995751 1027 Sample_06_pos.mzML 67517.36 0 176.1027959719887 8.99959 1029 Sample_06_pos.mzML 829255.9 0 288.2028931457914 9.03741 1030 Sample_06_pos.mzML 95808.29 0 289.2065919245926 9.038054 1031 Sample_06_pos.mzML 76158.59 0 168.076587656824 9.039931 1033 Sample_06_pos.mzML 148801.67 0 229.12936404392448 9.058728 1034 Sample_06_pos.mzML 70623.33 0 251.11128458048435 9.060653 1036 Sample_06_pos.mzML 135582.14 0 294.18102755142905 9.065932 1039 Sample_06_pos.mzML 35380.664 0 258.1447309396798 9.109013 1040 Sample_06_pos.mzML 1761.771 0 365.1052316626935 9.099115 1043 Sample_06_pos.mzML 28729.232 0 258.14458259952363 9.161549 1045 Sample_06_pos.mzML 69626.414 0 216.0629531114795 9.191652 1048 Sample_06_pos.mzML 56614.617 0 238.04483266653563 9.194025 1051 Sample_06_pos.mzML 236349.44 0 269.1604872451791 9.198629 1053 Sample_06_pos.mzML 1670751.1 0 260.19665861930304 9.201791 1054 Sample_06_pos.mzML 209781.23 0 261.20006499413546 9.202691 1067 Sample_06_pos.mzML 307628.06 0 149.06356867672196 9.225198 1069 Sample_06_pos.mzML 794380.7 0 130.04972503456412 9.2256365 1071 Sample_06_pos.mzML 5567100.0 0 148.06031941955982 9.226085 1079 Sample_06_pos.mzML 2184756.5 0 288.2028125859761 9.241891 1085 Sample_06_pos.mzML 236506.19 0 221.112942320711 9.250683 1096 Sample_06_pos.mzML 220957.03 0 366.10847337323975 9.300052 1099 Sample_06_pos.mzML 1681862.9 0 365.1051586729516 9.302187 1100 Sample_06_pos.mzML 20753.943 0 118.08606206806408 9.277427 1102 Sample_06_pos.mzML 144227.84 0 360.149656817636 9.311521 1107 Sample_06_pos.mzML 159053.72 0 359.26492669564453 9.318966 1111 Sample_06_pos.mzML 763295.5 0 260.1967063364553 9.344571 1112 Sample_06_pos.mzML 89790.0 0 261.2001203040639 9.346213 1113 Sample_06_pos.mzML 49172.105 0 433.0925277310742 9.346755 1118 Sample_06_pos.mzML 57441.23 0 345.22421788168214 9.386636 1121 Sample_06_pos.mzML 320526.88 0 203.1501620783906 9.454228 1122 Sample_06_pos.mzML 69292.586 0 188.1755993548724 9.460129 1124 Sample_06_pos.mzML 110999.945 0 294.16712720772256 9.486702 1125 Sample_06_pos.mzML 39144.93 0 335.0339660433254 9.493368 1126 Sample_06_pos.mzML 106030.29 0 313.0520546222224 9.502534 1127 Sample_06_pos.mzML 69245.23 0 289.206630553843 9.5099125 1128 Sample_06_pos.mzML 584274.5 0 288.2029258528593 9.509217 1131 Sample_06_pos.mzML 155730.75 0 218.18619761371053 9.525903 1132 Sample_06_pos.mzML 42946.453 0 306.06162796412696 9.547405 1133 Sample_06_pos.mzML 83464.26 0 188.17558642399584 9.518045 1134 Sample_06_pos.mzML 62187.707 0 260.1967002040386 9.570424 1135 Sample_06_pos.mzML 15811.339 0 306.1592562972893 9.571097 1136 Sample_06_pos.mzML 419318.8 0 284.0796833657358 9.646189 1137 Sample_06_pos.mzML 52053.23 0 324.0588200527568 9.649519 1138 Sample_06_pos.mzML 85708.03 0 219.09737415252712 9.655475 1139 Sample_06_pos.mzML 190429.67 0 148.0602834766663 9.6562 1141 Sample_06_pos.mzML 59337.19 0 154.01670024274702 9.662093 1143 Sample_06_pos.mzML 20607.74 0 195.04322321426469 9.665049 1144 Sample_06_pos.mzML 258227.86 0 290.1344649431372 9.675607 1145 Sample_06_pos.mzML 171764.75 0 283.04150739594115 9.690609 1149 Sample_06_pos.mzML 115486.29 0 207.0973923543056 9.729797 1150 Sample_06_pos.mzML 108774.66 0 308.09087390128616 9.73265 1151 Sample_06_pos.mzML 45523.86 0 613.1510753489329 9.735156 1155 Sample_06_pos.mzML 46214.5 0 317.2180748441611 9.774086 1157 Sample_06_pos.mzML 331575.53 0 260.1966837829511 9.806193 1159 Sample_06_pos.mzML 84559.4 0 345.2493190320606 9.83373 1163 Sample_06_pos.mzML 133374.9 0 282.1180701017672 9.848723 1164 Sample_06_pos.mzML 199039.39 0 219.0973471625064 9.852621 1165 Sample_06_pos.mzML 150007.36 0 248.12386819185812 9.854269 1167 Sample_06_pos.mzML 304930.9 0 262.90666776551785 9.858233 1168 Sample_06_pos.mzML 86045.05 0 284.0795670488393 9.863204 1171 Sample_06_pos.mzML 1120543.1 0 134.04468296663256 9.863805 1172 Sample_06_pos.mzML 186086.58 0 142.94789363209495 9.862807 1174 Sample_06_pos.mzML 174216.0 0 249.107884486856 9.871725 1175 Sample_06_pos.mzML 803056.5 0 274.18716937581314 9.873346 1181 Sample_06_pos.mzML 203804.64 0 338.1819343706756 9.884996 1185 Sample_06_pos.mzML 184497.44 0 175.14390259797082 9.938897 1187 Sample_06_pos.mzML 6295010.0 0 156.07665515382126 9.965302 1188 Sample_06_pos.mzML 179640.48 0 178.05845818353518 9.965835 1189 Sample_06_pos.mzML 346788.6 0 110.07110800895867 9.96585 1192 Sample_06_pos.mzML 408887.9 0 157.07990648632463 9.970797 1195 Sample_06_pos.mzML 298885.1 0 246.1809879902873 9.996257 1201 Sample_06_pos.mzML 94902.82 0 299.0363071280015 10.030114 1205 Sample_06_pos.mzML 142392.4 0 310.17584025335856 10.059572 1206 Sample_06_pos.mzML 104621.33 0 190.1628070441479 10.089722 1207 Sample_06_pos.mzML 1193621.5 0 189.15962556992508 10.091929 1208 Sample_06_pos.mzML 118357.86 0 275.1908113067463 10.101804 1209 Sample_06_pos.mzML 1109892.4 0 274.18718518067203 10.102931 1211 Sample_06_pos.mzML 513959.47 0 364.0649234803579 10.105504 1216 Sample_06_pos.mzML 528628.4 0 227.11370840600603 10.148948 1219 Sample_06_pos.mzML 29653.102 0 195.0254494451458 10.179174 1220 Sample_06_pos.mzML 268463.03 0 323.0839267608916 10.180491 1224 Sample_06_pos.mzML 213885.98 0 237.05378657328663 10.185353 1229 Sample_06_pos.mzML 125437.234 0 259.12865594655494 10.204153 1234 Sample_06_pos.mzML 36531.867 0 235.09230901827425 10.252195 1239 Sample_06_pos.mzML 134747.47 0 472.2874612980231 10.308299 1242 Sample_06_pos.mzML 17044858.0 0 175.11882033505466 10.356683 1243 Sample_06_pos.mzML 563323.0 0 349.23023603947246 10.357158 1244 Sample_06_pos.mzML 196885.25 0 371.2121607007718 10.357639 1246 Sample_06_pos.mzML 1090706.9 0 176.12211343714353 10.358672 1249 Sample_06_pos.mzML 314916.56 0 197.1006803958095 10.360531 1251 Sample_06_pos.mzML 240337.3 0 130.09729229124068 10.370269 1252 Sample_06_pos.mzML 495443.34 0 246.18095223184145 10.376628 1254 Sample_06_pos.mzML 19828.57 0 364.0649180883176 10.324018 1256 Sample_06_pos.mzML 74901.234 0 272.1714484795354 10.424933 1258 Sample_06_pos.mzML 212716.02 0 257.1242348570159 10.465497 1259 Sample_06_pos.mzML 119245.14 0 285.2030842021909 10.469291 1260 Sample_06_pos.mzML 119207.08 0 156.0765780966775 10.469985 1261 Sample_06_pos.mzML 219403.88 0 442.74712460313145 10.470643 1263 Sample_06_pos.mzML 103452.71 0 347.228682719869 10.512813 1264 Sample_06_pos.mzML 103565.33 0 303.20249423925924 10.522915 1266 Sample_06_pos.mzML 157093.8 0 213.09809375538885 10.5390005 1267 Sample_06_pos.mzML 43452.027 0 589.1399646335841 10.551182 1271 Sample_06_pos.mzML 88825.45 0 156.07656270160743 10.643449 1272 Sample_06_pos.mzML 1119902.4 0 175.11883104950437 10.63616 1276 Sample_06_pos.mzML 416118.94 0 148.11599366591082 10.651277 1278 Sample_06_pos.mzML 155896.8 0 191.07647587262292 10.651727 1279 Sample_06_pos.mzML 1220920.2 0 130.0861855729082 10.652225 1280 Sample_06_pos.mzML 206504.3 0 84.08064494962149 10.652238 1281 Sample_06_pos.mzML 6345158.5 0 147.1127199612054 10.652242 1283 Sample_06_pos.mzML 134113.27 0 169.09453102570544 10.654132 1289 Sample_06_pos.mzML 167384.11 0 244.16534762312872 10.664137 1290 Sample_06_pos.mzML 81719.836 0 257.1969723050618 10.6713915 1293 Sample_06_pos.mzML 834031.9 0 133.09706985780863 10.722098 1295 Sample_06_pos.mzML 392758.62 0 116.07050095631276 10.722583 1296 Sample_06_pos.mzML 85071.8 0 489.2762008111585 10.794624 1298 Sample_06_pos.mzML 308120.6 0 175.11881153058343 10.751388 1310 Sample_06_pos.mzML 906979.06 0 304.03932259922425 10.842536 1317 Sample_06_pos.mzML 1645286.5 0 283.06144442783113 10.857608 1318 Sample_06_pos.mzML 820561.2 0 563.1074885117305 10.858048 1320 Sample_06_pos.mzML 20704394.0 0 282.05750541230793 10.858509 1321 Sample_06_pos.mzML 1772772.9 0 284.0531507149704 10.858556 1324 Sample_06_pos.mzML 363156.9 0 163.05334706421047 10.861239 1330 Sample_06_pos.mzML 563786.8 0 237.0359682970429 10.877342 1334 Sample_06_pos.mzML 90373.234 0 175.1187171353388 10.861039 1336 Sample_06_pos.mzML 46332.984 0 241.03078940211464 10.946838 1342 Sample_06_pos.mzML 1722910.6 0 246.1559001157775 10.92701 1345 Sample_06_pos.mzML 155266.89 0 247.15931781669644 10.927976 1346 Sample_06_pos.mzML 160905.45 0 243.1085915333856 10.930374 1348 Sample_06_pos.mzML 323720.88 0 163.0534682624983 10.963395 1349 Sample_06_pos.mzML 125255.46 0 241.0308201955841 10.969333 1350 Sample_06_pos.mzML 37298.684 0 158.91554905353604 10.985007 1352 Sample_06_pos.mzML 20260.129 0 284.0795279906775 11.007104 1353 Sample_06_pos.mzML 42847.324 0 285.1191553590796 11.007634 1354 Sample_06_pos.mzML 92184.07 0 218.14977569757968 11.019916 1355 Sample_06_pos.mzML 280777.62 0 276.1666669024399 11.127444 1356 Sample_06_pos.mzML 17050.578 0 277.17032556111366 11.130445 1360 Sample_06_pos.mzML 5700.788 0 270.11951370352017 11.143098 1361 Sample_06_pos.mzML 32625.621 0 477.7683038765202 11.143561 1362 Sample_06_pos.mzML 223362.05 0 218.149918302188 11.197883 1364 Sample_06_pos.mzML 13172.182 0 175.11883005279304 11.212697 1365 Sample_06_pos.mzML 85896.11 0 248.16044847300984 11.214851 1366 Sample_06_pos.mzML 30217.316 0 241.03097143373472 11.219297 1367 Sample_06_pos.mzML 306847.28 0 232.14043462663736 11.221642 1369 Sample_06_pos.mzML 47596.977 0 282.057543479596 11.168553 1370 Sample_06_pos.mzML 111808.56 0 313.18703563912146 11.3278265 1371 Sample_06_pos.mzML 13670.827 0 248.1605684094749 11.336497 1374 Sample_06_pos.mzML 400956.47 0 277.1390483125494 11.51134 1376 Sample_06_pos.mzML 31608.1 0 278.1423901329732 11.513539 1377 Sample_06_pos.mzML 133413.05 0 282.057449726996 11.514416 1378 Sample_06_pos.mzML 563533.06 0 304.16126122413266 11.517955 1388 Sample_06_pos.mzML 1042023.0 0 262.1506913923568 11.531592 1389 Sample_06_pos.mzML 622179.5 0 204.13402659101504 11.532012 1407 Sample_06_pos.mzML 1149146.9 0 276.1550226035785 11.559689 1409 Sample_06_pos.mzML 76538410.0 0 241.03094338850485 11.5610075 1415 Sample_06_pos.mzML 6756952.0 0 243.02678201103345 11.562327 1426 Sample_06_pos.mzML 571258.06 0 303.1772234383022 11.568047 1437 Sample_06_pos.mzML 1088547.4 0 251.166119732511 11.585159 1457 Sample_06_pos.mzML 960553.5 0 275.1710225348117 11.613685 1466 Sample_06_pos.mzML 1749810.1 0 263.0128023889946 11.642216 1469 Sample_06_pos.mzML 279321.6 0 278.98660980913854 11.648937 1471 Sample_06_pos.mzML 319870.97 0 396.2363286809719 11.677346 1473 Sample_06_pos.mzML 1426242.2 0 234.1446648417694 11.690246 1485 Sample_06_pos.mzML 845160.94 0 261.15555602427605 11.726382 1487 Sample_06_pos.mzML 385760.38 0 289.1616430518823 11.733912 1488 Sample_06_pos.mzML 80447.21 0 182.9849459620996 11.736179 1492 Sample_06_pos.mzML 101001.94 0 304.02686844036094 11.8071165 1499 Sample_06_pos.mzML 220382.02 0 151.03510544906462 11.850545 1503 Sample_06_pos.mzML 59098.117 0 278.9867347050311 11.727371 1509 Sample_06_pos.mzML 47162.6 0 304.0269243781329 11.844499 1510 Sample_06_pos.mzML 307807.8 0 151.03514920449794 11.8673315 1515 Sample_06_pos.mzML 0.0 0 376.2189013075872 11.939273 1521 Sample_06_pos.mzML 0.0 0 473.3444755147893 12.102442 1522 Sample_06_pos.mzML 0.0 0 298.05247964856613 12.136988 1523 Sample_06_pos.mzML 41142.883 0 173.13408485930873 12.497563 1524 Sample_06_pos.mzML 32812.316 0 427.0952727376404 12.633031 1525 Sample_06_pos.mzML 29773.426 0 182.98494465025965 12.898163 1527 Sample_06_pos.mzML 2606601.2 0 167.01271717741983 12.917134 1528 Sample_06_pos.mzML 671023.56 0 255.94395639690367 12.917243 1530 Sample_06_pos.mzML 259850.11 0 385.9017133531906 12.921013 1531 Sample_06_pos.mzML 392038.9 0 143.99665492800966 12.922867 1533 Sample_06_pos.mzML 1636642.9 0 125.98620278672723 12.925508 1536 Sample_06_pos.mzML 283612.53 0 282.9047940378916 12.953278 1539 Sample_06_pos.mzML 57856.516 0 491.7875226546853 13.435786 1540 Sample_06_pos.mzML 72286.3 0 167.01272908201915 14.068723 1541 Sample_06_pos.mzML 0.0 0 241.03094812769385 14.083734 1542 Sample_06_pos.mzML 0.0 0 125.9861272213276 14.077281 1543 Sample_06_pos.mzML 10441.299 0 241.03092328785684 14.2579565 1544 Sample_06_pos.mzML 45979.6 0 125.98610652607104 14.2632475 1545 Sample_06_pos.mzML 387199.25 0 125.9860987016528 14.282119 1546 Sample_06_pos.mzML 1022971.8 0 167.01266837053672 14.29509 1547 Sample_06_pos.mzML 2702.0063 0 241.03092878208284 14.737781 1548 Sample_06_pos.mzML 1997.3181 0 241.03095848676367 15.381517 1549 Sample_06_pos.mzML 1968.9067 0 241.03092431621664 15.560758 1550 Sample_06_pos.mzML 77799.0 0 125.98607678073093 19.125986 1551 Sample_06_pos.mzML 69929.29 0 125.986068468798 19.237349 1 Sample_05_pos.mzML 51670.75 0 124.08669564836464 0.884114 2 Sample_05_pos.mzML 0.0 0 709.5135709142155 0.9277029 3 Sample_05_pos.mzML 13418.778 0 708.5102830575064 0.92855316 4 Sample_05_pos.mzML 6177.911 0 680.4788218943072 0.94213986 5 Sample_05_pos.mzML 4847.8257 0 663.4525341847894 0.94251555 8 Sample_05_pos.mzML 13398.545 0 124.0866635483428 0.9758523 13 Sample_05_pos.mzML 31812.002 0 338.3410184191165 0.94918865 14 Sample_05_pos.mzML 10972.593 0 228.19530207513023 0.9487448 15 Sample_05_pos.mzML 18561.693 0 431.3836089366016 0.94785005 16 Sample_05_pos.mzML 8332.721 0 171.14883588649835 0.96850353 18 Sample_05_pos.mzML 556396.25 0 392.253772671759 0.95138794 19 Sample_05_pos.mzML 7111.0967 0 144.98179283118262 0.9658699 24 Sample_05_pos.mzML 4580794.5 0 394.2890043118055 0.9663088 25 Sample_05_pos.mzML 20152930.0 0 393.2855729410101 0.9663088 27 Sample_05_pos.mzML 1227497.5 0 377.2624336443359 0.96850294 34 Sample_05_pos.mzML 5332884.0 0 376.2589851838652 0.9727521 38 Sample_05_pos.mzML 1843502.2 0 421.31661595485554 0.9779623 39 Sample_05_pos.mzML 182553.98 0 88.07551193113026 0.97947496 53 Sample_05_pos.mzML 13398.545 0 124.08666138918748 0.993165 56 Sample_05_pos.mzML 1174255.5 0 377.2624197988114 0.9718469 59 Sample_05_pos.mzML 42798.016 0 432.2372666227246 1.0112926 62 Sample_05_pos.mzML 54001.418 0 421.3166253437647 0.97587925 63 Sample_05_pos.mzML 34332.105 0 387.179513993051 1.0174752 64 Sample_05_pos.mzML 41797.906 0 404.206042018552 1.0174752 66 Sample_05_pos.mzML 19184.863 0 88.07550968410891 0.9884599 67 Sample_05_pos.mzML 71206.27 0 394.2889108048021 0.9842202 68 Sample_05_pos.mzML 33980.742 0 351.23847785630625 1.0211498 70 Sample_05_pos.mzML 432626.03 0 393.2854598750544 0.9889083 73 Sample_05_pos.mzML 99496.87 0 376.25890207776246 0.99538916 74 Sample_05_pos.mzML 3154.7139 0 288.2529471652366 1.0429213 75 Sample_05_pos.mzML 18908.857 0 331.0807619477385 1.0405952 77 Sample_05_pos.mzML 67339.08 0 326.3776187676901 1.0575842 78 Sample_05_pos.mzML 17413.586 0 171.14889188727136 1.0486741 79 Sample_05_pos.mzML 11574.729 0 327.3810916038047 1.0591878 80 Sample_05_pos.mzML 18418.234 0 163.13257303241096 1.0823013 81 Sample_05_pos.mzML 986775.4 0 393.2854036509345 1.0183046 83 Sample_05_pos.mzML 92649.445 0 244.1904237605233 1.0973613 84 Sample_05_pos.mzML 101268.055 0 226.1798566023925 1.0981086 85 Sample_05_pos.mzML 55091.23 0 266.17230843797444 1.0986773 86 Sample_05_pos.mzML 8098.915 0 227.1831032067456 1.0987782 87 Sample_05_pos.mzML 40382.44 0 304.29949433328 1.1027321 88 Sample_05_pos.mzML 4005.5293 0 305.30293167052633 1.1067916 92 Sample_05_pos.mzML 31285.414 0 251.18498943129944 1.1416863 93 Sample_05_pos.mzML 46249.203 0 124.08670965523844 1.1556855 94 Sample_05_pos.mzML 23070.883 0 216.0559227001227 1.1569017 95 Sample_05_pos.mzML 3335476.0 0 214.04970061718825 1.1580465 97 Sample_05_pos.mzML 415770.16 0 215.0529211514825 1.1586148 98 Sample_05_pos.mzML 43286.055 0 212.14716102940864 1.1687001 99 Sample_05_pos.mzML 0.0 0 258.2788169776792 1.167492 100 Sample_05_pos.mzML 123014.33 0 88.07553334535379 1.1669827 101 Sample_05_pos.mzML 38519.855 0 180.10163704706503 1.1693052 102 Sample_05_pos.mzML 0.0 0 259.28220830541363 1.1698533 103 Sample_05_pos.mzML 398120.6 0 211.143882330612 1.1725975 104 Sample_05_pos.mzML 60390.645 0 367.2087928080393 1.1786896 106 Sample_05_pos.mzML 23849.803 0 164.07039862833477 1.1870936 107 Sample_05_pos.mzML 34988.105 0 245.1281492380409 1.1915327 108 Sample_05_pos.mzML 15385.895 0 284.13905400436323 1.1924504 110 Sample_05_pos.mzML 9627.874 0 230.2476229409027 1.208052 111 Sample_05_pos.mzML 0.0 0 231.2509189682441 1.2119467 113 Sample_05_pos.mzML 34988.105 0 245.1282150522416 1.2145875 114 Sample_05_pos.mzML 47240.97 0 197.1282601988709 1.232969 115 Sample_05_pos.mzML 9173.298 0 200.23706200725795 1.2285993 116 Sample_05_pos.mzML 18693.5 0 402.3573877818645 1.2316772 117 Sample_05_pos.mzML 20908.736 0 144.04758008856655 1.2390124 119 Sample_05_pos.mzML 20919.67 0 284.1390667992057 1.1856359 120 Sample_05_pos.mzML 20939.025 0 110.05986025284652 1.3090072 121 Sample_05_pos.mzML 18845.174 0 156.10173858023458 1.2697691 122 Sample_05_pos.mzML 33144.383 0 590.2061363974616 1.27046 123 Sample_05_pos.mzML 16417.629 0 138.09113936072484 1.286875 124 Sample_05_pos.mzML 154242.16 0 96.0442997411288 1.286875 125 Sample_05_pos.mzML 0.0 0 162.06601688304164 1.2898526 127 Sample_05_pos.mzML 3237.734 0 170.11734099333302 1.2949688 128 Sample_05_pos.mzML 3919.063 0 210.1097480469689 1.3193958 129 Sample_05_pos.mzML 0.0 0 146.98014902199242 1.2979198 130 Sample_05_pos.mzML 46788.6 0 197.12825593496416 1.2959038 131 Sample_05_pos.mzML 18141.498 0 144.98196187706563 1.3213226 135 Sample_05_pos.mzML 20634.193 0 169.07576992147565 1.3398076 137 Sample_05_pos.mzML 83358.08 0 246.1519543589688 1.3437899 138 Sample_05_pos.mzML 62712.406 0 195.11265710236808 1.3443106 140 Sample_05_pos.mzML 0.0 0 154.0860441472675 1.3451465 142 Sample_05_pos.mzML 96720.445 0 110.0598549901638 1.3488079 148 Sample_05_pos.mzML 68980.68 0 243.14891618061824 1.3506924 151 Sample_05_pos.mzML 193110.81 0 126.05477443803215 1.3522042 152 Sample_05_pos.mzML 122510.29 0 100.07552017645202 1.3522406 156 Sample_05_pos.mzML 0.0 0 283.12204191444454 1.3535328 166 Sample_05_pos.mzML 533989.3 0 298.0965493713124 1.3567747 167 Sample_05_pos.mzML 149590.98 0 227.17513409439653 1.3601131 170 Sample_05_pos.mzML 76663.195 0 239.1486489095845 1.3637681 171 Sample_05_pos.mzML 41605.812 0 332.20810646332137 1.3653196 173 Sample_05_pos.mzML 257114.52 0 331.2046411437328 1.3668481 175 Sample_05_pos.mzML 41667.445 0 353.18635058440617 1.3700385 177 Sample_05_pos.mzML 150397.28 0 124.08674078601246 1.378172 178 Sample_05_pos.mzML 925174.6 0 123.05520806435112 1.3835589 181 Sample_05_pos.mzML 66789.96 0 224.07373638627203 1.3882531 182 Sample_05_pos.mzML 116711.38 0 195.1224565621741 1.3905834 184 Sample_05_pos.mzML 4634.4907 0 210.1097363228984 1.3884922 187 Sample_05_pos.mzML 0.0 0 283.1220435150896 1.3583255 190 Sample_05_pos.mzML 62712.406 0 195.11287983767883 1.3899492 191 Sample_05_pos.mzML 53572.0 0 249.13438273444345 1.4200606 192 Sample_05_pos.mzML 0.0 0 105.06971063859694 1.4354923 193 Sample_05_pos.mzML 57138.965 0 393.28554314722027 1.3910813 195 Sample_05_pos.mzML 65832.18 0 124.08674995537856 1.3871161 196 Sample_05_pos.mzML 21554.084 0 393.28567548041735 1.4236475 197 Sample_05_pos.mzML 12391.131 0 151.09631717250656 1.4888855 198 Sample_05_pos.mzML 16789.553 0 348.14383698933153 1.4761354 199 Sample_05_pos.mzML 27853.172 0 375.0811540275393 1.489473 201 Sample_05_pos.mzML 5533.7935 0 353.0992471828444 1.4867625 202 Sample_05_pos.mzML 0.0 0 337.03648815326005 1.5395262 203 Sample_05_pos.mzML 0.0 0 321.06256590229526 1.5395222 204 Sample_05_pos.mzML 49435.637 0 298.0966397086858 1.6940964 205 Sample_05_pos.mzML 136275.97 0 190.08951118437503 1.7135324 206 Sample_05_pos.mzML 29385.621 0 144.98195244122175 1.9972055 207 Sample_05_pos.mzML 107139.29 0 190.0894178152409 1.9916908 208 Sample_05_pos.mzML 23782.371 0 146.08097871921322 1.9896737 209 Sample_05_pos.mzML 357347.78 0 267.1449176772506 1.9950703 210 Sample_05_pos.mzML 131058.234 0 152.07041948711262 2.0314512 211 Sample_05_pos.mzML 2697177.5 0 170.08106776554337 2.0327005 212 Sample_05_pos.mzML 217073.48 0 171.08430196994564 2.037283 213 Sample_05_pos.mzML 16765.28 0 331.2046255896961 2.049584 214 Sample_05_pos.mzML 34951.19 0 212.10276003144267 2.2255604 215 Sample_05_pos.mzML 277240.4 0 176.07386576343754 2.2393477 216 Sample_05_pos.mzML 0.0 0 395.1961437435049 2.25555 217 Sample_05_pos.mzML 29642.953 0 171.07623002808543 2.4603689 218 Sample_05_pos.mzML 367082.44 0 136.06166758377617 2.4618294 219 Sample_05_pos.mzML 46722.812 0 162.99758522735817 2.464494 220 Sample_05_pos.mzML 103070.15 0 176.07378886026444 2.466533 221 Sample_05_pos.mzML 112209.99 0 212.1027452521681 2.4712422 222 Sample_05_pos.mzML 70136.52 0 234.0846850483877 2.4712543 224 Sample_05_pos.mzML 101128.625 0 251.1500001009124 2.490054 225 Sample_05_pos.mzML 111642.52 0 170.08096549677393 2.497286 227 Sample_05_pos.mzML 174033.8 0 242.09971739527816 2.5311325 228 Sample_05_pos.mzML 405180.78 0 220.11781080236509 2.5324228 229 Sample_05_pos.mzML 35681.848 0 221.1210520053073 2.5324228 231 Sample_05_pos.mzML 534314.5 0 137.04566565562763 2.61302 232 Sample_05_pos.mzML 222230.78 0 167.09253949646646 2.6150174 233 Sample_05_pos.mzML 539508.06 0 159.02756167849526 2.6262987 234 Sample_05_pos.mzML 267950.7 0 175.00145180579432 2.6233456 235 Sample_05_pos.mzML 25413.314 0 83.06022538821384 2.6915092 236 Sample_05_pos.mzML 380351.25 0 159.02754096432605 2.6711876 238 Sample_05_pos.mzML 1032453.8 0 269.1074820276356 2.733594 239 Sample_05_pos.mzML 119050.516 0 136.06159150189967 2.7327607 240 Sample_05_pos.mzML 9995968.0 0 268.103853951424 2.735583 241 Sample_05_pos.mzML 16594.432 0 124.0867204867036 2.7465951 242 Sample_05_pos.mzML 62852.188 0 206.04549179878435 2.7396824 246 Sample_05_pos.mzML 104351.46 0 169.05813466701616 2.7622888 247 Sample_05_pos.mzML 20460.516 0 147.07620312825443 2.7634428 249 Sample_05_pos.mzML 90392.44 0 251.14995309511343 2.8096216 250 Sample_05_pos.mzML 39525.33 0 124.08672952186082 2.7857726 251 Sample_05_pos.mzML 73773.1 0 166.07212983034697 2.8522704 252 Sample_05_pos.mzML 49866.13 0 86.09628372212455 2.8936963 253 Sample_05_pos.mzML 314732.38 0 162.0582063782167 2.922553 254 Sample_05_pos.mzML 39534.18 0 158.08114129553522 3.0417824 255 Sample_05_pos.mzML 48432.977 0 124.03925425687731 3.3331635 256 Sample_05_pos.mzML 24349.02 0 131.11768354659372 3.5462894 259 Sample_05_pos.mzML 23810.633 0 147.03008748928804 3.6102345 265 Sample_05_pos.mzML 57917.145 0 237.1342771902892 3.554259 268 Sample_05_pos.mzML 2120752.8 0 104.10690922607166 3.615613 270 Sample_05_pos.mzML 159986.12 0 105.1101628079843 3.5773337 276 Sample_05_pos.mzML 52011.805 0 356.99219855042145 3.6094525 277 Sample_05_pos.mzML 424564.78 0 257.10061043785606 3.6021051 278 Sample_05_pos.mzML 1301218.9 0 235.11878342337727 3.6104362 279 Sample_05_pos.mzML 2867372.0 0 104.10691140742011 3.6254394 281 Sample_05_pos.mzML 1433162.6 0 146.02691561369866 3.617239 282 Sample_05_pos.mzML 450252.03 0 189.99069726862683 3.6186962 284 Sample_05_pos.mzML 3129488.2 0 104.10691151684348 3.6318386 285 Sample_05_pos.mzML 127484.86 0 105.11016638499711 3.6433537 286 Sample_05_pos.mzML 384286.47 0 270.1921498403816 3.6826499 289 Sample_05_pos.mzML 106199.96 0 307.0436219791634 3.8853528 297 Sample_05_pos.mzML 221924.05 0 291.0697298907951 3.9010928 298 Sample_05_pos.mzML 176305.05 0 257.1006228106187 3.904753 299 Sample_05_pos.mzML 104554.56 0 270.1921248236023 3.9918861 305 Sample_05_pos.mzML 1096416.1 0 235.11874356344256 3.9848194 307 Sample_05_pos.mzML 460209.22 0 146.02687268396707 3.9806588 308 Sample_05_pos.mzML 205624.19 0 314.09137691435643 3.989151 310 Sample_05_pos.mzML 95108.23 0 269.0877500718245 3.9971244 311 Sample_05_pos.mzML 286300.28 0 270.1921288646996 3.9987442 313 Sample_05_pos.mzML 116188.37 0 137.04561392556303 4.0023994 314 Sample_05_pos.mzML 148832.53 0 268.1037209235785 4.003829 315 Sample_05_pos.mzML 72983.945 0 163.05335215225128 4.0424848 317 Sample_05_pos.mzML 1490794.4 0 152.05653168599866 4.009559 321 Sample_05_pos.mzML 2303370.2 0 148.04256672639687 4.012652 324 Sample_05_pos.mzML 106097.8 0 213.08672615987487 4.018884 334 Sample_05_pos.mzML 129189.76 0 245.18571573726572 4.136272 345 Sample_05_pos.mzML 104613.484 0 134.11737910350053 4.1628757 348 Sample_05_pos.mzML 190206.38 0 163.0533777453292 4.1968255 349 Sample_05_pos.mzML 0.0 0 137.04558546014155 4.19949 352 Sample_05_pos.mzML 56889.336 0 268.1037602942401 4.2119775 353 Sample_05_pos.mzML 77605.81 0 229.118040650464 4.229315 354 Sample_05_pos.mzML 191713.56 0 245.18574102113112 4.2097106 356 Sample_05_pos.mzML 52026.145 0 200.10278438614216 4.2574863 357 Sample_05_pos.mzML 35830.07 0 268.1037589105309 4.217879 358 Sample_05_pos.mzML 24146.166 0 270.1922424181455 4.279421 359 Sample_05_pos.mzML 0.0 0 189.99075931378115 4.327314 360 Sample_05_pos.mzML 41298.348 0 134.11743645494067 4.2845025 361 Sample_05_pos.mzML 0.0 0 242.18611577228643 4.3433714 362 Sample_05_pos.mzML 2067.3643 0 304.1765208263302 4.7402077 363 Sample_05_pos.mzML 0.0 0 172.13294299742864 4.7589955 364 Sample_05_pos.mzML 0.0 0 189.9905913432856 4.772744 367 Sample_05_pos.mzML 281521.44 0 159.09139985691644 4.8108883 371 Sample_05_pos.mzML 1178622.1 0 120.08061352243423 4.8438725 372 Sample_05_pos.mzML 821939.75 0 167.08935800092092 4.845658 373 Sample_05_pos.mzML 917561.06 0 266.07438437754746 4.819725 375 Sample_05_pos.mzML 470131.2 0 249.0607079423268 4.8210406 378 Sample_05_pos.mzML 2460464.5 0 205.09695945152035 4.8233333 380 Sample_05_pos.mzML 1900267.1 0 188.07038343865275 4.8246927 384 Sample_05_pos.mzML 1487737.0 0 188.07038967593124 4.8265615 385 Sample_05_pos.mzML 838925.6 0 266.07438495902727 4.8215938 390 Sample_05_pos.mzML 13066138.0 0 166.08609631348253 4.846532 391 Sample_05_pos.mzML 201768.7 0 146.02679892343698 4.84755 392 Sample_05_pos.mzML 1800886.6 0 120.08061021815044 4.850492 393 Sample_05_pos.mzML 2823278.8 0 176.11331845539647 4.850525 405 Sample_05_pos.mzML 68559.71 0 124.08671779184456 4.861618 406 Sample_05_pos.mzML 275065.6 0 242.18597353886392 4.893828 414 Sample_05_pos.mzML 961130.7 0 167.0893640074416 4.8583703 415 Sample_05_pos.mzML 1202825.0 0 188.070370874549 4.853523 432 Sample_05_pos.mzML 7304004.0 0 132.10181358254428 5.070786 439 Sample_05_pos.mzML 2035102.0 0 134.10843493246685 5.0749183 440 Sample_05_pos.mzML 37919110.0 0 133.10514633013727 5.075796 441 Sample_05_pos.mzML 11028747.0 0 132.10180873486888 5.0757966 442 Sample_05_pos.mzML 1090482.2 0 254.16086399050823 5.076235 444 Sample_05_pos.mzML 7603507.0 0 86.09634855868607 5.0771127 460 Sample_05_pos.mzML 802537.3 0 231.1700284982437 5.157729 462 Sample_05_pos.mzML 6319746.0 0 86.09635085819752 5.0803976 464 Sample_05_pos.mzML 9111067.0 0 132.1018131478376 5.079959 465 Sample_05_pos.mzML 31403530.0 0 133.10514770247934 5.0799584 466 Sample_05_pos.mzML 1683328.1 0 134.10843686992123 5.079081 471 Sample_05_pos.mzML 889194.5 0 231.17003514728088 5.1624675 472 Sample_05_pos.mzML 116239.4 0 177.068867688938 5.0954223 476 Sample_05_pos.mzML 32685.182 0 146.02680791872297 5.2020907 482 Sample_05_pos.mzML 390820.62 0 170.06097130330835 5.208097 485 Sample_05_pos.mzML 305583.72 0 322.054438749271 5.261234 486 Sample_05_pos.mzML 747968.6 0 306.0806507387645 5.269045 487 Sample_05_pos.mzML 369893.62 0 284.09869474213104 5.2824006 490 Sample_05_pos.mzML 807621.06 0 254.1609829416835 5.2925267 498 Sample_05_pos.mzML 125776.41 0 228.1703774765928 5.428404 499 Sample_05_pos.mzML 747203.75 0 254.16093846752423 5.4288635 500 Sample_05_pos.mzML 142754.45 0 176.06557454370355 5.4312606 501 Sample_05_pos.mzML 1039539.0 0 86.09634303157317 5.453327 502 Sample_05_pos.mzML 4694281.5 0 132.10179944532445 5.452833 505 Sample_05_pos.mzML 1063649.8 0 133.10515142846097 5.4484563 506 Sample_05_pos.mzML 5303523.0 0 132.10179448037488 5.4554677 507 Sample_05_pos.mzML 1205337.0 0 86.09633268244676 5.4559617 508 Sample_05_pos.mzML 81444.47 0 192.0394553458964 5.4579144 510 Sample_05_pos.mzML 782647.0 0 254.160928157678 5.431993 518 Sample_05_pos.mzML 388883.56 0 208.01345244401543 5.4915414 529 Sample_05_pos.mzML 924816.6 0 122.9244093086683 5.570595 530 Sample_05_pos.mzML 348526.84 0 458.7694151411931 5.5711894 532 Sample_05_pos.mzML 598520.94 0 206.88568577248728 5.572176 534 Sample_05_pos.mzML 387466.5 0 542.7307149004203 5.5728345 537 Sample_05_pos.mzML 1213135.2 0 290.8469756666516 5.574323 539 Sample_05_pos.mzML 346906.28 0 292.84486404160776 5.57543 546 Sample_05_pos.mzML 35638120.0 0 118.086136282161 5.6935368 547 Sample_05_pos.mzML 1891152.9 0 119.08943078666724 5.6957307 549 Sample_05_pos.mzML 455016.03 0 158.03999253356488 5.6885877 558 Sample_05_pos.mzML 40748044.0 0 118.08614084735753 5.695406 559 Sample_05_pos.mzML 5815215.5 0 156.0419594783285 5.700437 561 Sample_05_pos.mzML 234105.3 0 133.10503503876865 5.7478676 563 Sample_05_pos.mzML 2160515.2 0 119.08942925468972 5.6976 564 Sample_05_pos.mzML 2676075.8 0 235.1649571996301 5.6980495 573 Sample_05_pos.mzML 6764586.5 0 273.1208172600843 5.7226243 586 Sample_05_pos.mzML 1166725.9 0 150.0580937823089 5.736668 587 Sample_05_pos.mzML 2269652.0 0 257.14684101952525 5.737107 591 Sample_05_pos.mzML 1839464.8 0 163.05338891159045 5.738424 603 Sample_05_pos.mzML 1198324.8 0 107.0714836044441 5.7414956 604 Sample_05_pos.mzML 2485129.2 0 136.05042953346918 5.741495 606 Sample_05_pos.mzML 20352338.0 0 153.07702607515895 5.742373 609 Sample_05_pos.mzML 510767.66 0 201.00917974363804 5.743689 617 Sample_05_pos.mzML 6089922.5 0 156.04195771190652 5.7104034 621 Sample_05_pos.mzML 6527100.5 0 273.12082086293464 5.7262015 622 Sample_05_pos.mzML 331221.47 0 132.10170818206214 5.7288346 628 Sample_05_pos.mzML 234105.3 0 133.10504212972964 5.765699 640 Sample_05_pos.mzML 536744.2 0 217.15447541961305 5.817688 659 Sample_05_pos.mzML 128407.4 0 203.13879992661973 5.825148 660 Sample_05_pos.mzML 695458.3 0 215.13885933944832 5.825148 674 Sample_05_pos.mzML 229188.83 0 138.0547721930798 5.8345313 678 Sample_05_pos.mzML 138488.52 0 227.15804343513688 5.843843 679 Sample_05_pos.mzML 1232436.2 0 226.1548276939271 5.84388 683 Sample_05_pos.mzML 1659677.5 0 118.08618244730933 5.818649 685 Sample_05_pos.mzML 177351.89 0 197.040867463821 5.8871245 686 Sample_05_pos.mzML 150730.86 0 320.17136170937744 5.910408 687 Sample_05_pos.mzML 854422.5 0 115.08651467149711 5.9351325 688 Sample_05_pos.mzML 245845.38 0 137.06841851907743 5.936834 690 Sample_05_pos.mzML 7474.482 0 265.11149031603264 5.9485784 691 Sample_05_pos.mzML 112504.234 0 228.14534892007973 6.0084243 693 Sample_05_pos.mzML 267295.25 0 226.1548933204581 6.043236 695 Sample_05_pos.mzML 555416.9 0 228.1454157073448 6.1668887 698 Sample_05_pos.mzML 891215.94 0 118.08615791324712 6.2560725 699 Sample_05_pos.mzML 380730.2 0 132.10171546003687 6.300898 700 Sample_05_pos.mzML 154848.14 0 133.10509747646654 6.288588 701 Sample_05_pos.mzML 323958.56 0 153.07699495948592 6.2302094 708 Sample_05_pos.mzML 297000.6 0 298.02467259368444 6.2890944 710 Sample_05_pos.mzML 688486.56 0 162.0499397667938 6.361732 711 Sample_05_pos.mzML 1938487.4 0 118.08612947184405 6.2692437 713 Sample_05_pos.mzML 2478744.0 0 90.976550099308 6.411321 717 Sample_05_pos.mzML 179310.81 0 133.10506197129337 6.3418784 723 Sample_05_pos.mzML 37855.266 0 132.10170322970416 6.3238697 729 Sample_05_pos.mzML 5204133.0 0 430.9133167798752 6.445311 730 Sample_05_pos.mzML 3487599.0 0 498.9006283059093 6.4422398 733 Sample_05_pos.mzML 2758848.8 0 566.887996552571 6.4444346 742 Sample_05_pos.mzML 647271.9 0 162.049928906656 6.3924384 743 Sample_05_pos.mzML 3075904.0 0 566.8879974709893 6.465941 744 Sample_05_pos.mzML 63932.953 0 298.0246176631577 6.392486 746 Sample_05_pos.mzML 4053285.2 0 90.9765516798645 6.4571624 752 Sample_05_pos.mzML 6079298.0 0 362.925952839678 6.459356 753 Sample_05_pos.mzML 6209772.5 0 430.91332032039486 6.4764752 754 Sample_05_pos.mzML 4137498.8 0 498.9006293329196 6.464187 760 Sample_05_pos.mzML 5936013.5 0 430.9133173583412 6.47867 763 Sample_05_pos.mzML 7781954.0 0 362.9259521619515 6.46155 768 Sample_05_pos.mzML 5457328.5 0 498.9006350513378 6.4663815 772 Sample_05_pos.mzML 4227440.5 0 566.8880079908274 6.4703307 774 Sample_05_pos.mzML 35480628.0 0 226.95130605314407 6.4734025 776 Sample_05_pos.mzML 5173056.5 0 158.96391743043827 6.475264 777 Sample_05_pos.mzML 5143415.5 0 90.97655184812557 6.4699974 783 Sample_05_pos.mzML 8068805.0 0 430.913321997725 6.485361 797 Sample_05_pos.mzML 2497963.5 0 498.9006368424921 6.481851 798 Sample_05_pos.mzML 1929501.1 0 566.8880087807638 6.490188 801 Sample_05_pos.mzML 1299701.9 0 116.07045588148864 6.535134 806 Sample_05_pos.mzML 1798657.8 0 90.97654696859416 6.497805 807 Sample_05_pos.mzML 1153153.6 0 133.1050813977587 6.57356 820 Sample_05_pos.mzML 67457.555 0 258.15586908713766 6.8444924 821 Sample_05_pos.mzML 107188.8 0 301.96555337204217 6.8449597 822 Sample_05_pos.mzML 323107.53 0 214.12973993847905 6.8736024 826 Sample_05_pos.mzML 188546.94 0 376.979765282261 6.890302 833 Sample_05_pos.mzML 177544.2 0 308.9923908286443 6.898309 835 Sample_05_pos.mzML 62980.293 0 173.09190815945408 6.8987 836 Sample_05_pos.mzML 850461.06 0 165.99085411729348 6.9019084 837 Sample_05_pos.mzML 79539.06 0 451.9939689509807 6.901796 842 Sample_05_pos.mzML 351886.12 0 122.02695576262852 6.907451 845 Sample_05_pos.mzML 18775.893 0 241.0309804045192 6.929818 848 Sample_05_pos.mzML 165355.86 0 118.08612324531742 6.906456 850 Sample_05_pos.mzML 348738.28 0 122.02695713603926 6.910003 853 Sample_05_pos.mzML 97414.23 0 208.1806931005108 6.967325 857 Sample_05_pos.mzML 68657.11 0 226.95139637449867 7.056883 858 Sample_05_pos.mzML 131637.9 0 258.156014085099 7.159303 859 Sample_05_pos.mzML 25759.543 0 104.07052981519426 7.1661315 860 Sample_05_pos.mzML 75013.13 0 226.9514186720039 7.1463103 861 Sample_05_pos.mzML 8433.195 0 245.9476010251665 7.220245 862 Sample_05_pos.mzML 8933.361 0 201.9837410781343 7.2195973 863 Sample_05_pos.mzML 0.0 0 267.92949707305337 7.2172837 864 Sample_05_pos.mzML 97375.04 0 90.05496978874557 7.6612244 865 Sample_05_pos.mzML 40023.484 0 244.140503738826 7.6647267 866 Sample_05_pos.mzML 15347.379 0 230.14997669311865 7.6839995 867 Sample_05_pos.mzML 27946.451 0 134.01883779940704 7.6638207 868 Sample_05_pos.mzML 20206.057 0 328.0301594961641 7.9222236 869 Sample_05_pos.mzML 40105.695 0 306.048316086854 7.914533 870 Sample_05_pos.mzML 42853.14 0 285.1667082325685 7.933275 871 Sample_05_pos.mzML 36987.348 0 387.2709948049544 7.9394317 872 Sample_05_pos.mzML 57756.098 0 187.10747655608205 7.93947 877 Sample_05_pos.mzML 147173.28 0 197.0894356361632 7.961445 879 Sample_05_pos.mzML 596195.75 0 269.16060472372754 7.962421 880 Sample_05_pos.mzML 176218.44 0 346.05434588118914 7.9639306 881 Sample_05_pos.mzML 306339.34 0 271.1510202898235 7.9642925 890 Sample_05_pos.mzML 148188.4 0 129.06566925010313 7.9716926 891 Sample_05_pos.mzML 1026013.25 0 120.06545039741656 7.972265 894 Sample_05_pos.mzML 350667.25 0 164.02922326766455 7.9790225 895 Sample_05_pos.mzML 160271.44 0 133.10507612878197 7.9839897 896 Sample_05_pos.mzML 174212.81 0 153.07696300828565 7.981729 899 Sample_05_pos.mzML 148188.4 0 129.06566954676447 7.973686 901 Sample_05_pos.mzML 648288.8 0 233.10652019611663 7.9997315 904 Sample_05_pos.mzML 207541.31 0 217.12933749214804 8.017409 909 Sample_05_pos.mzML 36884.305 0 205.11810687589983 8.066115 910 Sample_05_pos.mzML 75503.12 0 176.09158435507644 8.110695 911 Sample_05_pos.mzML 188754.86 0 120.06538793621888 8.095319 912 Sample_05_pos.mzML 205139.73 0 216.13414402314515 8.137809 913 Sample_05_pos.mzML 64030.18 0 254.110947332547 8.13853 918 Sample_05_pos.mzML 43270.785 0 142.09734305994664 8.155034 919 Sample_05_pos.mzML 57223.52 0 247.12867941295664 8.191632 920 Sample_05_pos.mzML 65554.55 0 203.11372007085788 8.203923 921 Sample_05_pos.mzML 34223.74 0 246.1446736791892 8.23056 922 Sample_05_pos.mzML 114601.98 0 261.1443564364716 8.234616 923 Sample_05_pos.mzML 26070.379 0 283.12626085214976 8.235302 924 Sample_05_pos.mzML 112206.01 0 269.16066025719937 8.241423 925 Sample_05_pos.mzML 29772.754 0 226.9513300667016 8.252555 926 Sample_05_pos.mzML 20627.627 0 118.0861033091863 8.375219 927 Sample_05_pos.mzML 0.0 0 244.0942511712273 8.360445 928 Sample_05_pos.mzML 34683.586 0 201.1788423536045 8.363343 929 Sample_05_pos.mzML 384079.1 0 200.1756825779179 8.360786 930 Sample_05_pos.mzML 68652.23 0 226.9513188023629 8.36787 931 Sample_05_pos.mzML 23672.285 0 217.1181167414713 8.373118 932 Sample_05_pos.mzML 35195.97 0 265.12695885890884 8.393177 933 Sample_05_pos.mzML 24483.375 0 365.105201429741 8.39588 934 Sample_05_pos.mzML 16792.137 0 157.16978702908858 8.416748 935 Sample_05_pos.mzML 17174.357 0 205.11817679551444 8.449443 936 Sample_05_pos.mzML 48448.1 0 166.0531984049978 8.511632 937 Sample_05_pos.mzML 0.0 0 210.01689084731828 8.517229 938 Sample_05_pos.mzML 57081.59 0 574.1288443930529 8.598261 939 Sample_05_pos.mzML 99419.12 0 188.03499184859004 8.604352 940 Sample_05_pos.mzML 38313.08 0 166.05302736240878 8.598813 941 Sample_05_pos.mzML 0.0 0 147.07628217729822 8.606629 942 Sample_05_pos.mzML 0.0 0 169.0581892689462 8.606629 944 Sample_05_pos.mzML 121059.586 0 175.10751430696803 8.61571 945 Sample_05_pos.mzML 158163.44 0 258.14458594133026 8.616849 949 Sample_05_pos.mzML 623498.56 0 106.0497993519311 8.619147 951 Sample_05_pos.mzML 66556.055 0 227.09996497608665 8.619727 953 Sample_05_pos.mzML 84409.73 0 365.1050858603464 8.622464 954 Sample_05_pos.mzML 80431.375 0 277.03801398466214 8.624969 957 Sample_05_pos.mzML 439515.84 0 230.1133787668119 8.627342 958 Sample_05_pos.mzML 122381.336 0 150.01357254868546 8.627431 964 Sample_05_pos.mzML 126899.19 0 268.12651808851587 8.64582 965 Sample_05_pos.mzML 71813.63 0 246.14460651871127 8.647682 966 Sample_05_pos.mzML 37097.387 0 118.0860713755489 8.666564 970 Sample_05_pos.mzML 99496.0 0 331.0597083994683 8.728163 971 Sample_05_pos.mzML 304269.44 0 177.02446857919654 8.73112 974 Sample_05_pos.mzML 414606.16 0 155.04258957375788 8.740393 975 Sample_05_pos.mzML 400196.53 0 230.1133464625389 8.74039 979 Sample_05_pos.mzML 841263.9 0 133.0606595880094 8.745018 980 Sample_05_pos.mzML 184814.58 0 286.15069933735964 8.763644 982 Sample_05_pos.mzML 203276.31 0 247.12860338588263 8.766978 988 Sample_05_pos.mzML 87962.88 0 361.1977693027184 8.791953 994 Sample_05_pos.mzML 681194.94 0 296.0656615542094 8.852614 995 Sample_05_pos.mzML 2645108.8 0 280.0918526920189 8.8539295 998 Sample_05_pos.mzML 989811.25 0 537.1943231163153 8.85701 999 Sample_05_pos.mzML 805105.2 0 259.11326523868405 8.8587675 1003 Sample_05_pos.mzML 9480708.0 0 258.1099364516471 8.860084 1009 Sample_05_pos.mzML 61421.48 0 153.07693685054173 8.865781 1016 Sample_05_pos.mzML 287270.5 0 322.1869685406384 8.8856325 1019 Sample_05_pos.mzML 355796.44 0 348.0696595688975 8.905177 1020 Sample_05_pos.mzML 119608.1 0 156.14936280240056 8.929667 1023 Sample_05_pos.mzML 194133.17 0 255.14499651185736 8.961529 1026 Sample_05_pos.mzML 119983.71 0 198.0847628014792 8.995751 1027 Sample_05_pos.mzML 67729.51 0 176.1027959719887 8.99959 1029 Sample_05_pos.mzML 841672.4 0 288.2028931457914 9.03741 1030 Sample_05_pos.mzML 98408.3 0 289.2065919245926 9.038054 1031 Sample_05_pos.mzML 80514.38 0 168.076587656824 9.039931 1033 Sample_05_pos.mzML 153798.47 0 229.12936404392448 9.058728 1034 Sample_05_pos.mzML 71492.39 0 251.11128458048435 9.060653 1036 Sample_05_pos.mzML 143227.47 0 294.18102755142905 9.065932 1039 Sample_05_pos.mzML 40325.16 0 258.1447309396798 9.109013 1040 Sample_05_pos.mzML 0.0 0 365.1052316626935 9.099115 1043 Sample_05_pos.mzML 16757.752 0 258.14458259952363 9.161549 1045 Sample_05_pos.mzML 81068.07 0 216.0629531114795 9.191652 1048 Sample_05_pos.mzML 62633.684 0 238.04483266653563 9.194025 1051 Sample_05_pos.mzML 266805.4 0 269.1604872451791 9.198629 1053 Sample_05_pos.mzML 1783655.6 0 260.19665861930304 9.201791 1054 Sample_05_pos.mzML 226160.02 0 261.20006499413546 9.202691 1067 Sample_05_pos.mzML 299826.2 0 149.06356867672196 9.225198 1069 Sample_05_pos.mzML 792077.44 0 130.04972503456412 9.2256365 1071 Sample_05_pos.mzML 5600191.0 0 148.06031941955982 9.226085 1079 Sample_05_pos.mzML 2225574.8 0 288.2028125859761 9.241891 1085 Sample_05_pos.mzML 234145.84 0 221.112942320711 9.250683 1096 Sample_05_pos.mzML 247042.08 0 366.10847337323975 9.300052 1099 Sample_05_pos.mzML 1891730.8 0 365.1051586729516 9.302187 1100 Sample_05_pos.mzML 40329.14 0 118.08606206806408 9.277427 1102 Sample_05_pos.mzML 167520.5 0 360.149656817636 9.311521 1107 Sample_05_pos.mzML 154445.64 0 359.26492669564453 9.318966 1111 Sample_05_pos.mzML 830186.3 0 260.1967063364553 9.344571 1112 Sample_05_pos.mzML 97127.45 0 261.2001203040639 9.346213 1113 Sample_05_pos.mzML 71147.38 0 433.0925277310742 9.346755 1118 Sample_05_pos.mzML 143648.78 0 345.22421788168214 9.386636 1121 Sample_05_pos.mzML 500189.75 0 203.1501620783906 9.454228 1122 Sample_05_pos.mzML 65152.223 0 188.1755993548724 9.460129 1124 Sample_05_pos.mzML 137738.3 0 294.16712720772256 9.486702 1125 Sample_05_pos.mzML 77907.766 0 335.0339660433254 9.493368 1126 Sample_05_pos.mzML 156482.28 0 313.0520546222224 9.502534 1127 Sample_05_pos.mzML 105433.7 0 289.206630553843 9.5099125 1128 Sample_05_pos.mzML 891832.7 0 288.2029258528593 9.509217 1131 Sample_05_pos.mzML 171119.27 0 218.18619761371053 9.525903 1132 Sample_05_pos.mzML 102206.87 0 306.06162796412696 9.547405 1133 Sample_05_pos.mzML 48163.99 0 188.17558642399584 9.518045 1134 Sample_05_pos.mzML 74930.22 0 260.1967002040386 9.570424 1135 Sample_05_pos.mzML 19249.047 0 306.1592562972893 9.571097 1136 Sample_05_pos.mzML 815878.9 0 284.0796833657358 9.646189 1137 Sample_05_pos.mzML 76027.12 0 324.0588200527568 9.649519 1138 Sample_05_pos.mzML 89418.266 0 219.09737415252712 9.655475 1139 Sample_05_pos.mzML 155627.0 0 148.0602834766663 9.6562 1141 Sample_05_pos.mzML 45821.98 0 154.01670024274702 9.662093 1143 Sample_05_pos.mzML 0.0 0 195.04322321426469 9.665049 1144 Sample_05_pos.mzML 275241.1 0 290.1344649431372 9.675607 1145 Sample_05_pos.mzML 88423.09 0 283.04150739594115 9.690609 1149 Sample_05_pos.mzML 113207.08 0 207.0973923543056 9.729797 1150 Sample_05_pos.mzML 55910.92 0 308.09087390128616 9.73265 1151 Sample_05_pos.mzML 47961.137 0 613.1510753489329 9.735156 1155 Sample_05_pos.mzML 43181.613 0 317.2180748441611 9.774086 1157 Sample_05_pos.mzML 323976.34 0 260.1966837829511 9.806193 1159 Sample_05_pos.mzML 79508.93 0 345.2493190320606 9.83373 1163 Sample_05_pos.mzML 134507.92 0 282.1180701017672 9.848723 1164 Sample_05_pos.mzML 191909.6 0 219.0973471625064 9.852621 1165 Sample_05_pos.mzML 148382.06 0 248.12386819185812 9.854269 1167 Sample_05_pos.mzML 261495.55 0 262.90666776551785 9.858233 1168 Sample_05_pos.mzML 187065.61 0 284.0795670488393 9.863204 1171 Sample_05_pos.mzML 1120998.1 0 134.04468296663256 9.863805 1172 Sample_05_pos.mzML 173533.11 0 142.94789363209495 9.862807 1174 Sample_05_pos.mzML 170576.94 0 249.107884486856 9.871725 1175 Sample_05_pos.mzML 787945.5 0 274.18716937581314 9.873346 1181 Sample_05_pos.mzML 193574.84 0 338.1819343706756 9.884996 1185 Sample_05_pos.mzML 178904.64 0 175.14390259797082 9.938897 1187 Sample_05_pos.mzML 6860489.0 0 156.07665515382126 9.965302 1188 Sample_05_pos.mzML 194986.72 0 178.05845818353518 9.965835 1189 Sample_05_pos.mzML 371891.16 0 110.07110800895867 9.96585 1192 Sample_05_pos.mzML 450717.56 0 157.07990648632463 9.970797 1195 Sample_05_pos.mzML 289708.22 0 246.1809879902873 9.996257 1201 Sample_05_pos.mzML 106345.24 0 299.0363071280015 10.030114 1205 Sample_05_pos.mzML 139267.95 0 310.17584025335856 10.059572 1206 Sample_05_pos.mzML 98920.4 0 190.1628070441479 10.089722 1207 Sample_05_pos.mzML 1121433.5 0 189.15962556992508 10.091929 1208 Sample_05_pos.mzML 112095.67 0 275.1908113067463 10.101804 1209 Sample_05_pos.mzML 1072893.8 0 274.18718518067203 10.102931 1211 Sample_05_pos.mzML 578123.8 0 364.0649234803579 10.105504 1216 Sample_05_pos.mzML 514866.47 0 227.11370840600603 10.148948 1219 Sample_05_pos.mzML 26609.793 0 195.0254494451458 10.179174 1220 Sample_05_pos.mzML 253074.2 0 323.0839267608916 10.180491 1224 Sample_05_pos.mzML 222495.16 0 237.05378657328663 10.185353 1229 Sample_05_pos.mzML 125801.45 0 259.12865594655494 10.204153 1234 Sample_05_pos.mzML 36837.7 0 235.09230901827425 10.252195 1239 Sample_05_pos.mzML 156955.1 0 472.2874612980231 10.308299 1242 Sample_05_pos.mzML 17049678.0 0 175.11882033505466 10.356683 1243 Sample_05_pos.mzML 540887.3 0 349.23023603947246 10.357158 1244 Sample_05_pos.mzML 193782.05 0 371.2121607007718 10.357639 1246 Sample_05_pos.mzML 1098140.4 0 176.12211343714353 10.358672 1249 Sample_05_pos.mzML 321055.66 0 197.1006803958095 10.360531 1251 Sample_05_pos.mzML 223466.77 0 130.09729229124068 10.370269 1252 Sample_05_pos.mzML 447780.72 0 246.18095223184145 10.376628 1254 Sample_05_pos.mzML 33402.55 0 364.0649180883176 10.324018 1256 Sample_05_pos.mzML 72145.17 0 272.1714484795354 10.424933 1258 Sample_05_pos.mzML 226279.92 0 257.1242348570159 10.465497 1259 Sample_05_pos.mzML 111918.28 0 285.2030842021909 10.469291 1260 Sample_05_pos.mzML 143799.84 0 156.0765780966775 10.469985 1261 Sample_05_pos.mzML 231718.42 0 442.74712460313145 10.470643 1263 Sample_05_pos.mzML 102880.88 0 347.228682719869 10.512813 1264 Sample_05_pos.mzML 109840.234 0 303.20249423925924 10.522915 1266 Sample_05_pos.mzML 165127.12 0 213.09809375538885 10.5390005 1267 Sample_05_pos.mzML 39241.57 0 589.1399646335841 10.551182 1271 Sample_05_pos.mzML 117498.64 0 156.07656270160743 10.643449 1272 Sample_05_pos.mzML 1144495.1 0 175.11883104950437 10.63616 1276 Sample_05_pos.mzML 426015.97 0 148.11599366591082 10.651277 1278 Sample_05_pos.mzML 153952.23 0 191.07647587262292 10.651727 1279 Sample_05_pos.mzML 1259354.9 0 130.0861855729082 10.652225 1280 Sample_05_pos.mzML 203916.55 0 84.08064494962149 10.652238 1281 Sample_05_pos.mzML 6364258.5 0 147.1127199612054 10.652242 1283 Sample_05_pos.mzML 136293.94 0 169.09453102570544 10.654132 1289 Sample_05_pos.mzML 160403.98 0 244.16534762312872 10.664137 1290 Sample_05_pos.mzML 75146.21 0 257.1969723050618 10.6713915 1293 Sample_05_pos.mzML 806510.25 0 133.09706985780863 10.722098 1295 Sample_05_pos.mzML 378498.16 0 116.07050095631276 10.722583 1296 Sample_05_pos.mzML 81710.45 0 489.2762008111585 10.794624 1298 Sample_05_pos.mzML 329141.97 0 175.11881153058343 10.751388 1310 Sample_05_pos.mzML 929414.5 0 304.03932259922425 10.842536 1317 Sample_05_pos.mzML 1722590.9 0 283.06144442783113 10.857608 1318 Sample_05_pos.mzML 859036.3 0 563.1074885117305 10.858048 1320 Sample_05_pos.mzML 21352716.0 0 282.05750541230793 10.858509 1321 Sample_05_pos.mzML 1847162.0 0 284.0531507149704 10.858556 1324 Sample_05_pos.mzML 400079.25 0 163.05334706421047 10.861239 1330 Sample_05_pos.mzML 397220.9 0 237.0359682970429 10.877342 1334 Sample_05_pos.mzML 108313.5 0 175.1187171353388 10.861039 1336 Sample_05_pos.mzML 69625.87 0 241.03078940211464 10.946838 1342 Sample_05_pos.mzML 1733894.2 0 246.1559001157775 10.92701 1345 Sample_05_pos.mzML 161211.89 0 247.15931781669644 10.927976 1346 Sample_05_pos.mzML 158210.27 0 243.1085915333856 10.930374 1348 Sample_05_pos.mzML 330801.06 0 163.0534682624983 10.963395 1349 Sample_05_pos.mzML 181862.78 0 241.0308201955841 10.969333 1350 Sample_05_pos.mzML 38867.684 0 158.91554905353604 10.985007 1352 Sample_05_pos.mzML 58001.797 0 284.0795279906775 11.007104 1353 Sample_05_pos.mzML 47289.59 0 285.1191553590796 11.007634 1354 Sample_05_pos.mzML 97212.48 0 218.14977569757968 11.019916 1355 Sample_05_pos.mzML 364210.4 0 276.1666669024399 11.127444 1356 Sample_05_pos.mzML 27148.205 0 277.17032556111366 11.130445 1360 Sample_05_pos.mzML 11150.064 0 270.11951370352017 11.143098 1361 Sample_05_pos.mzML 35710.527 0 477.7683038765202 11.143561 1362 Sample_05_pos.mzML 307838.2 0 218.149918302188 11.197883 1364 Sample_05_pos.mzML 35523.586 0 175.11883005279304 11.212697 1365 Sample_05_pos.mzML 118682.27 0 248.16044847300984 11.214851 1366 Sample_05_pos.mzML 64711.414 0 241.03097143373472 11.219297 1367 Sample_05_pos.mzML 426828.16 0 232.14043462663736 11.221642 1369 Sample_05_pos.mzML 73208.016 0 282.057543479596 11.168553 1370 Sample_05_pos.mzML 63286.195 0 313.18703563912146 11.3278265 1371 Sample_05_pos.mzML 15749.27 0 248.1605684094749 11.336497 1374 Sample_05_pos.mzML 359055.53 0 277.1390483125494 11.51134 1376 Sample_05_pos.mzML 24025.828 0 278.1423901329732 11.513539 1377 Sample_05_pos.mzML 371444.03 0 282.057449726996 11.514416 1378 Sample_05_pos.mzML 568318.8 0 304.16126122413266 11.517955 1388 Sample_05_pos.mzML 1024604.6 0 262.1506913923568 11.531592 1389 Sample_05_pos.mzML 635576.0 0 204.13402659101504 11.532012 1407 Sample_05_pos.mzML 1104609.6 0 276.1550226035785 11.559689 1409 Sample_05_pos.mzML 95738610.0 0 241.03094338850485 11.5610075 1415 Sample_05_pos.mzML 8393742.0 0 243.02678201103345 11.562327 1426 Sample_05_pos.mzML 523146.78 0 303.1772234383022 11.568047 1437 Sample_05_pos.mzML 1058504.8 0 251.166119732511 11.585159 1457 Sample_05_pos.mzML 941716.8 0 275.1710225348117 11.613685 1466 Sample_05_pos.mzML 2083333.1 0 263.0128023889946 11.642216 1469 Sample_05_pos.mzML 371432.4 0 278.98660980913854 11.648937 1471 Sample_05_pos.mzML 339793.16 0 396.2363286809719 11.677346 1473 Sample_05_pos.mzML 1630127.1 0 234.1446648417694 11.690246 1485 Sample_05_pos.mzML 1101919.8 0 261.15555602427605 11.726382 1487 Sample_05_pos.mzML 463099.03 0 289.1616430518823 11.733912 1488 Sample_05_pos.mzML 100913.8 0 182.9849459620996 11.736179 1492 Sample_05_pos.mzML 114779.49 0 304.02686844036094 11.8071165 1499 Sample_05_pos.mzML 269679.8 0 151.03510544906462 11.850545 1503 Sample_05_pos.mzML 124850.875 0 278.9867347050311 11.727371 1509 Sample_05_pos.mzML 208892.53 0 304.0269243781329 11.844499 1510 Sample_05_pos.mzML 514291.47 0 151.03514920449794 11.8673315 1515 Sample_05_pos.mzML 9515.527 0 376.2189013075872 11.939273 1521 Sample_05_pos.mzML 0.0 0 473.3444755147893 12.102442 1522 Sample_05_pos.mzML 0.0 0 298.05247964856613 12.136988 1523 Sample_05_pos.mzML 40664.668 0 173.13408485930873 12.497563 1524 Sample_05_pos.mzML 39882.043 0 427.0952727376404 12.633031 1525 Sample_05_pos.mzML 30019.666 0 182.98494465025965 12.898163 1527 Sample_05_pos.mzML 2486000.5 0 167.01271717741983 12.917134 1528 Sample_05_pos.mzML 641029.6 0 255.94395639690367 12.917243 1530 Sample_05_pos.mzML 254709.47 0 385.9017133531906 12.921013 1531 Sample_05_pos.mzML 355049.47 0 143.99665492800966 12.922867 1533 Sample_05_pos.mzML 1528172.4 0 125.98620278672723 12.925508 1536 Sample_05_pos.mzML 291166.97 0 282.9047940378916 12.953278 1539 Sample_05_pos.mzML 45552.875 0 491.7875226546853 13.435786 1540 Sample_05_pos.mzML 602372.7 0 167.01272908201915 14.068723 1541 Sample_05_pos.mzML 28502.912 0 241.03094812769385 14.083734 1542 Sample_05_pos.mzML 243018.05 0 125.9861272213276 14.077281 1543 Sample_05_pos.mzML 47667.05 0 241.03092328785684 14.2579565 1544 Sample_05_pos.mzML 107082.75 0 125.98610652607104 14.2632475 1545 Sample_05_pos.mzML 96381.15 0 125.9860987016528 14.282119 1546 Sample_05_pos.mzML 186943.3 0 167.01266837053672 14.29509 1547 Sample_05_pos.mzML 3877.5166 0 241.03092878208284 14.737781 1548 Sample_05_pos.mzML 5073.856 0 241.03095848676367 15.381517 1549 Sample_05_pos.mzML 1772.5774 0 241.03092431621664 15.560758 1550 Sample_05_pos.mzML 71722.414 0 125.98607678073093 19.125986 1551 Sample_05_pos.mzML 73565.055 0 125.986068468798 19.237349 1 Sample_10_pos.mzML 64512.05 0 124.08669564836464 0.884114 2 Sample_10_pos.mzML 4053.6306 0 709.5135709142155 0.9277029 3 Sample_10_pos.mzML 20339.35 0 708.5102830575064 0.92855316 4 Sample_10_pos.mzML 0.0 0 680.4788218943072 0.94213986 5 Sample_10_pos.mzML 0.0 0 663.4525341847894 0.94251555 8 Sample_10_pos.mzML 16444.629 0 124.0866635483428 0.9758523 13 Sample_10_pos.mzML 43312.86 0 338.3410184191165 0.94918865 14 Sample_10_pos.mzML 47481.184 0 228.19530207513023 0.9487448 15 Sample_10_pos.mzML 54513.094 0 431.3836089366016 0.94785005 16 Sample_10_pos.mzML 6426.2246 0 171.14883588649835 0.96850353 18 Sample_10_pos.mzML 203336.55 0 392.253772671759 0.95138794 19 Sample_10_pos.mzML 1399.8096 0 144.98179283118262 0.9658699 24 Sample_10_pos.mzML 2234344.5 0 394.2890043118055 0.9663088 25 Sample_10_pos.mzML 9929598.0 0 393.2855729410101 0.9663088 27 Sample_10_pos.mzML 605844.25 0 377.2624336443359 0.96850294 34 Sample_10_pos.mzML 2698506.8 0 376.2589851838652 0.9727521 38 Sample_10_pos.mzML 1617144.1 0 421.31661595485554 0.9779623 39 Sample_10_pos.mzML 74971.17 0 88.07551193113026 0.97947496 53 Sample_10_pos.mzML 22586.02 0 124.08666138918748 0.993165 56 Sample_10_pos.mzML 477761.25 0 377.2624197988114 0.9718469 59 Sample_10_pos.mzML 194447.7 0 432.2372666227246 1.0112926 62 Sample_10_pos.mzML 428502.3 0 421.3166253437647 0.97587925 63 Sample_10_pos.mzML 96510.12 0 387.179513993051 1.0174752 64 Sample_10_pos.mzML 107678.94 0 404.206042018552 1.0174752 66 Sample_10_pos.mzML 37326.676 0 88.07550968410891 0.9884599 67 Sample_10_pos.mzML 1285338.9 0 394.2889108048021 0.9842202 68 Sample_10_pos.mzML 45842.688 0 351.23847785630625 1.0211498 70 Sample_10_pos.mzML 5684310.0 0 393.2854598750544 0.9889083 73 Sample_10_pos.mzML 1942488.0 0 376.25890207776246 0.99538916 74 Sample_10_pos.mzML 0.0 0 288.2529471652366 1.0429213 75 Sample_10_pos.mzML 21164.818 0 331.0807619477385 1.0405952 77 Sample_10_pos.mzML 92421.9 0 326.3776187676901 1.0575842 78 Sample_10_pos.mzML 11135.347 0 171.14889188727136 1.0486741 79 Sample_10_pos.mzML 17246.76 0 327.3810916038047 1.0591878 80 Sample_10_pos.mzML 15427.586 0 163.13257303241096 1.0823013 81 Sample_10_pos.mzML 1646992.6 0 393.2854036509345 1.0183046 83 Sample_10_pos.mzML 197556.89 0 244.1904237605233 1.0973613 84 Sample_10_pos.mzML 210367.25 0 226.1798566023925 1.0981086 85 Sample_10_pos.mzML 105136.65 0 266.17230843797444 1.0986773 86 Sample_10_pos.mzML 25384.9 0 227.1831032067456 1.0987782 87 Sample_10_pos.mzML 46488.953 0 304.29949433328 1.1027321 88 Sample_10_pos.mzML 6850.1816 0 305.30293167052633 1.1067916 92 Sample_10_pos.mzML 23514.008 0 251.18498943129944 1.1416863 93 Sample_10_pos.mzML 44446.95 0 124.08670965523844 1.1556855 94 Sample_10_pos.mzML 19596.693 0 216.0559227001227 1.1569017 95 Sample_10_pos.mzML 3265320.8 0 214.04970061718825 1.1580465 97 Sample_10_pos.mzML 413019.53 0 215.0529211514825 1.1586148 98 Sample_10_pos.mzML 41267.926 0 212.14716102940864 1.1687001 99 Sample_10_pos.mzML 4348.1133 0 258.2788169776792 1.167492 100 Sample_10_pos.mzML 103137.12 0 88.07553334535379 1.1669827 101 Sample_10_pos.mzML 35909.82 0 180.10163704706503 1.1693052 102 Sample_10_pos.mzML 0.0 0 259.28220830541363 1.1698533 103 Sample_10_pos.mzML 378499.0 0 211.143882330612 1.1725975 104 Sample_10_pos.mzML 58554.633 0 367.2087928080393 1.1786896 106 Sample_10_pos.mzML 20576.854 0 164.07039862833477 1.1870936 107 Sample_10_pos.mzML 16445.852 0 245.1281492380409 1.1915327 108 Sample_10_pos.mzML 20197.457 0 284.13905400436323 1.1924504 110 Sample_10_pos.mzML 19932.81 0 230.2476229409027 1.208052 111 Sample_10_pos.mzML 0.0 0 231.2509189682441 1.2119467 113 Sample_10_pos.mzML 26874.08 0 245.1282150522416 1.2145875 114 Sample_10_pos.mzML 38783.566 0 197.1282601988709 1.232969 115 Sample_10_pos.mzML 4142.8896 0 200.23706200725795 1.2285993 116 Sample_10_pos.mzML 3665.6626 0 402.3573877818645 1.2316772 117 Sample_10_pos.mzML 12468.142 0 144.04758008856655 1.2390124 119 Sample_10_pos.mzML 13308.573 0 284.1390667992057 1.1856359 120 Sample_10_pos.mzML 16992.389 0 110.05986025284652 1.3090072 121 Sample_10_pos.mzML 122997.06 0 156.10173858023458 1.2697691 122 Sample_10_pos.mzML 23901.873 0 590.2061363974616 1.27046 123 Sample_10_pos.mzML 16147.542 0 138.09113936072484 1.286875 124 Sample_10_pos.mzML 153545.73 0 96.0442997411288 1.286875 125 Sample_10_pos.mzML 80407.54 0 162.06601688304164 1.2898526 127 Sample_10_pos.mzML 5131.8945 0 170.11734099333302 1.2949688 128 Sample_10_pos.mzML 5655.9946 0 210.1097480469689 1.3193958 129 Sample_10_pos.mzML 0.0 0 146.98014902199242 1.2979198 130 Sample_10_pos.mzML 42986.547 0 197.12825593496416 1.2959038 131 Sample_10_pos.mzML 14924.704 0 144.98196187706563 1.3213226 135 Sample_10_pos.mzML 17661.477 0 169.07576992147565 1.3398076 137 Sample_10_pos.mzML 184096.5 0 246.1519543589688 1.3437899 138 Sample_10_pos.mzML 36587.266 0 195.11265710236808 1.3443106 140 Sample_10_pos.mzML 40123.445 0 154.0860441472675 1.3451465 142 Sample_10_pos.mzML 71212.15 0 110.0598549901638 1.3488079 148 Sample_10_pos.mzML 70107.96 0 243.14891618061824 1.3506924 151 Sample_10_pos.mzML 180654.66 0 126.05477443803215 1.3522042 152 Sample_10_pos.mzML 126788.25 0 100.07552017645202 1.3522406 156 Sample_10_pos.mzML 242645.48 0 283.12204191444454 1.3535328 166 Sample_10_pos.mzML 36473.727 0 298.0965493713124 1.3567747 167 Sample_10_pos.mzML 146336.81 0 227.17513409439653 1.3601131 170 Sample_10_pos.mzML 93121.37 0 239.1486489095845 1.3637681 171 Sample_10_pos.mzML 136384.56 0 332.20810646332137 1.3653196 173 Sample_10_pos.mzML 847191.06 0 331.2046411437328 1.3668481 175 Sample_10_pos.mzML 141404.39 0 353.18635058440617 1.3700385 177 Sample_10_pos.mzML 60034.348 0 124.08674078601246 1.378172 178 Sample_10_pos.mzML 967753.9 0 123.05520806435112 1.3835589 181 Sample_10_pos.mzML 61373.938 0 224.07373638627203 1.3882531 182 Sample_10_pos.mzML 116089.23 0 195.1224565621741 1.3905834 184 Sample_10_pos.mzML 8323.979 0 210.1097363228984 1.3884922 187 Sample_10_pos.mzML 236181.98 0 283.1220435150896 1.3583255 190 Sample_10_pos.mzML 21523.139 0 195.11287983767883 1.3899492 191 Sample_10_pos.mzML 19563.81 0 249.13438273444345 1.4200606 192 Sample_10_pos.mzML 0.0 0 105.06971063859694 1.4354923 193 Sample_10_pos.mzML 27200.25 0 393.28554314722027 1.3910813 195 Sample_10_pos.mzML 74629.44 0 124.08674995537856 1.3871161 196 Sample_10_pos.mzML 10776.287 0 393.28567548041735 1.4236475 197 Sample_10_pos.mzML 8880.816 0 151.09631717250656 1.4888855 198 Sample_10_pos.mzML 23739.133 0 348.14383698933153 1.4761354 199 Sample_10_pos.mzML 26935.28 0 375.0811540275393 1.489473 201 Sample_10_pos.mzML 16654.123 0 353.0992471828444 1.4867625 202 Sample_10_pos.mzML 14770.503 0 337.03648815326005 1.5395262 203 Sample_10_pos.mzML 28409.986 0 321.06256590229526 1.5395222 204 Sample_10_pos.mzML 0.0 0 298.0966397086858 1.6940964 205 Sample_10_pos.mzML 168336.19 0 190.08951118437503 1.7135324 206 Sample_10_pos.mzML 0.0 0 144.98195244122175 1.9972055 207 Sample_10_pos.mzML 80219.36 0 190.0894178152409 1.9916908 208 Sample_10_pos.mzML 20288.375 0 146.08097871921322 1.9896737 209 Sample_10_pos.mzML 108054.39 0 267.1449176772506 1.9950703 210 Sample_10_pos.mzML 55168.25 0 152.07041948711262 2.0314512 211 Sample_10_pos.mzML 1541242.4 0 170.08106776554337 2.0327005 212 Sample_10_pos.mzML 108385.21 0 171.08430196994564 2.037283 213 Sample_10_pos.mzML 86947.68 0 331.2046255896961 2.049584 214 Sample_10_pos.mzML 35994.707 0 212.10276003144267 2.2255604 215 Sample_10_pos.mzML 293204.06 0 176.07386576343754 2.2393477 216 Sample_10_pos.mzML 0.0 0 395.1961437435049 2.25555 217 Sample_10_pos.mzML 27390.578 0 171.07623002808543 2.4603689 218 Sample_10_pos.mzML 0.0 0 136.06166758377617 2.4618294 219 Sample_10_pos.mzML 38512.938 0 162.99758522735817 2.464494 220 Sample_10_pos.mzML 64566.168 0 176.07378886026444 2.466533 221 Sample_10_pos.mzML 96792.914 0 212.1027452521681 2.4712422 222 Sample_10_pos.mzML 62373.57 0 234.0846850483877 2.4712543 224 Sample_10_pos.mzML 108505.48 0 251.1500001009124 2.490054 225 Sample_10_pos.mzML 87944.36 0 170.08096549677393 2.497286 227 Sample_10_pos.mzML 154486.27 0 242.09971739527816 2.5311325 228 Sample_10_pos.mzML 356922.0 0 220.11781080236509 2.5324228 229 Sample_10_pos.mzML 31628.18 0 221.1210520053073 2.5324228 231 Sample_10_pos.mzML 401352.47 0 137.04566565562763 2.61302 232 Sample_10_pos.mzML 221710.78 0 167.09253949646646 2.6150174 233 Sample_10_pos.mzML 401673.44 0 159.02756167849526 2.6262987 234 Sample_10_pos.mzML 200519.89 0 175.00145180579432 2.6233456 235 Sample_10_pos.mzML 196668.72 0 83.06022538821384 2.6915092 236 Sample_10_pos.mzML 256042.42 0 159.02754096432605 2.6711876 238 Sample_10_pos.mzML 1053371.6 0 269.1074820276356 2.733594 239 Sample_10_pos.mzML 113195.734 0 136.06159150189967 2.7327607 240 Sample_10_pos.mzML 10208641.0 0 268.103853951424 2.735583 241 Sample_10_pos.mzML 56965.855 0 124.0867204867036 2.7465951 242 Sample_10_pos.mzML 61813.32 0 206.04549179878435 2.7396824 246 Sample_10_pos.mzML 114936.805 0 169.05813466701616 2.7622888 247 Sample_10_pos.mzML 20161.754 0 147.07620312825443 2.7634428 249 Sample_10_pos.mzML 105798.055 0 251.14995309511343 2.8096216 250 Sample_10_pos.mzML 47270.188 0 124.08672952186082 2.7857726 251 Sample_10_pos.mzML 80618.266 0 166.07212983034697 2.8522704 252 Sample_10_pos.mzML 37684.23 0 86.09628372212455 2.8936963 253 Sample_10_pos.mzML 356614.88 0 162.0582063782167 2.922553 254 Sample_10_pos.mzML 41301.254 0 158.08114129553522 3.0417824 255 Sample_10_pos.mzML 44010.043 0 124.03925425687731 3.3331635 256 Sample_10_pos.mzML 70908.14 0 131.11768354659372 3.5462894 259 Sample_10_pos.mzML 889030.3 0 147.03008748928804 3.6102345 265 Sample_10_pos.mzML 130668.375 0 237.1342771902892 3.554259 268 Sample_10_pos.mzML 2229887.8 0 104.10690922607166 3.615613 270 Sample_10_pos.mzML 124064.21 0 105.1101628079843 3.5773337 276 Sample_10_pos.mzML 974142.6 0 356.99219855042145 3.6094525 277 Sample_10_pos.mzML 337928.94 0 257.10061043785606 3.6021051 278 Sample_10_pos.mzML 1578547.8 0 235.11878342337727 3.6104362 279 Sample_10_pos.mzML 3030501.0 0 104.10691140742011 3.6254394 281 Sample_10_pos.mzML 15737045.0 0 146.02691561369866 3.617239 282 Sample_10_pos.mzML 2699459.0 0 189.99069726862683 3.6186962 284 Sample_10_pos.mzML 3501431.0 0 104.10691151684348 3.6318386 285 Sample_10_pos.mzML 129684.11 0 105.11016638499711 3.6433537 286 Sample_10_pos.mzML 445863.16 0 270.1921498403816 3.6826499 289 Sample_10_pos.mzML 439099.75 0 307.0436219791634 3.8853528 297 Sample_10_pos.mzML 806399.25 0 291.0697298907951 3.9010928 298 Sample_10_pos.mzML 200662.1 0 257.1006228106187 3.904753 299 Sample_10_pos.mzML 246554.86 0 270.1921248236023 3.9918861 305 Sample_10_pos.mzML 1191254.1 0 235.11874356344256 3.9848194 307 Sample_10_pos.mzML 2133642.2 0 146.02687268396707 3.9806588 308 Sample_10_pos.mzML 223441.3 0 314.09137691435643 3.989151 310 Sample_10_pos.mzML 316926.62 0 269.0877500718245 3.9971244 311 Sample_10_pos.mzML 276195.38 0 270.1921288646996 3.9987442 313 Sample_10_pos.mzML 377554.66 0 137.04561392556303 4.0023994 314 Sample_10_pos.mzML 149603.53 0 268.1037209235785 4.003829 315 Sample_10_pos.mzML 710507.44 0 163.05335215225128 4.0424848 317 Sample_10_pos.mzML 453114.5 0 152.05653168599866 4.009559 321 Sample_10_pos.mzML 3009879.8 0 148.04256672639687 4.012652 324 Sample_10_pos.mzML 115968.88 0 213.08672615987487 4.018884 334 Sample_10_pos.mzML 221023.11 0 245.18571573726572 4.136272 345 Sample_10_pos.mzML 151039.03 0 134.11737910350053 4.1628757 348 Sample_10_pos.mzML 549963.0 0 163.0533777453292 4.1968255 349 Sample_10_pos.mzML 0.0 0 137.04558546014155 4.19949 352 Sample_10_pos.mzML 64259.023 0 268.1037602942401 4.2119775 353 Sample_10_pos.mzML 75722.664 0 229.118040650464 4.229315 354 Sample_10_pos.mzML 147558.69 0 245.18574102113112 4.2097106 356 Sample_10_pos.mzML 70585.555 0 200.10278438614216 4.2574863 357 Sample_10_pos.mzML 57806.86 0 268.1037589105309 4.217879 358 Sample_10_pos.mzML 48750.438 0 270.1922424181455 4.279421 359 Sample_10_pos.mzML 81944.375 0 189.99075931378115 4.327314 360 Sample_10_pos.mzML 138969.72 0 134.11743645494067 4.2845025 361 Sample_10_pos.mzML 51375.195 0 242.18611577228643 4.3433714 362 Sample_10_pos.mzML 33105.582 0 304.1765208263302 4.7402077 363 Sample_10_pos.mzML 0.0 0 172.13294299742864 4.7589955 364 Sample_10_pos.mzML 37321.094 0 189.9905913432856 4.772744 367 Sample_10_pos.mzML 332530.66 0 159.09139985691644 4.8108883 371 Sample_10_pos.mzML 1287055.2 0 120.08061352243423 4.8438725 372 Sample_10_pos.mzML 892129.75 0 167.08935800092092 4.845658 373 Sample_10_pos.mzML 842722.2 0 266.07438437754746 4.819725 375 Sample_10_pos.mzML 482930.4 0 249.0607079423268 4.8210406 378 Sample_10_pos.mzML 2545938.8 0 205.09695945152035 4.8233333 380 Sample_10_pos.mzML 1971822.6 0 188.07038343865275 4.8246927 384 Sample_10_pos.mzML 1597133.9 0 188.07038967593124 4.8265615 385 Sample_10_pos.mzML 786044.2 0 266.07438495902727 4.8215938 390 Sample_10_pos.mzML 13437430.0 0 166.08609631348253 4.846532 391 Sample_10_pos.mzML 1205766.0 0 146.02679892343698 4.84755 392 Sample_10_pos.mzML 1859933.8 0 120.08061021815044 4.850492 393 Sample_10_pos.mzML 2878920.2 0 176.11331845539647 4.850525 405 Sample_10_pos.mzML 14982.583 0 124.08671779184456 4.861618 406 Sample_10_pos.mzML 289955.97 0 242.18597353886392 4.893828 414 Sample_10_pos.mzML 922286.4 0 167.0893640074416 4.8583703 415 Sample_10_pos.mzML 1132379.8 0 188.070370874549 4.853523 432 Sample_10_pos.mzML 7709666.5 0 132.10181358254428 5.070786 439 Sample_10_pos.mzML 2049012.2 0 134.10843493246685 5.0749183 440 Sample_10_pos.mzML 37822050.0 0 133.10514633013727 5.075796 441 Sample_10_pos.mzML 11103861.0 0 132.10180873486888 5.0757966 442 Sample_10_pos.mzML 895865.75 0 254.16086399050823 5.076235 444 Sample_10_pos.mzML 7728683.0 0 86.09634855868607 5.0771127 460 Sample_10_pos.mzML 887711.5 0 231.1700284982437 5.157729 462 Sample_10_pos.mzML 6172753.5 0 86.09635085819752 5.0803976 464 Sample_10_pos.mzML 8779367.0 0 132.1018131478376 5.079959 465 Sample_10_pos.mzML 30047980.0 0 133.10514770247934 5.0799584 466 Sample_10_pos.mzML 1622126.1 0 134.10843686992123 5.079081 471 Sample_10_pos.mzML 943657.3 0 231.17003514728088 5.1624675 472 Sample_10_pos.mzML 475623.44 0 177.068867688938 5.0954223 476 Sample_10_pos.mzML 1341578.1 0 146.02680791872297 5.2020907 482 Sample_10_pos.mzML 402019.8 0 170.06097130330835 5.208097 485 Sample_10_pos.mzML 349366.25 0 322.054438749271 5.261234 486 Sample_10_pos.mzML 825007.7 0 306.0806507387645 5.269045 487 Sample_10_pos.mzML 376285.56 0 284.09869474213104 5.2824006 490 Sample_10_pos.mzML 1016244.4 0 254.1609829416835 5.2925267 498 Sample_10_pos.mzML 146409.56 0 228.1703774765928 5.428404 499 Sample_10_pos.mzML 800334.6 0 254.16093846752423 5.4288635 500 Sample_10_pos.mzML 165422.31 0 176.06557454370355 5.4312606 501 Sample_10_pos.mzML 1180351.6 0 86.09634303157317 5.453327 502 Sample_10_pos.mzML 5230149.0 0 132.10179944532445 5.452833 505 Sample_10_pos.mzML 1175530.5 0 133.10515142846097 5.4484563 506 Sample_10_pos.mzML 5899969.0 0 132.10179448037488 5.4554677 507 Sample_10_pos.mzML 1318650.0 0 86.09633268244676 5.4559617 508 Sample_10_pos.mzML 84348.93 0 192.0394553458964 5.4579144 510 Sample_10_pos.mzML 800334.6 0 254.160928157678 5.431993 518 Sample_10_pos.mzML 340881.7 0 208.01345244401543 5.4915414 529 Sample_10_pos.mzML 947971.1 0 122.9244093086683 5.570595 530 Sample_10_pos.mzML 340079.12 0 458.7694151411931 5.5711894 532 Sample_10_pos.mzML 595716.94 0 206.88568577248728 5.572176 534 Sample_10_pos.mzML 373788.22 0 542.7307149004203 5.5728345 537 Sample_10_pos.mzML 1197598.2 0 290.8469756666516 5.574323 539 Sample_10_pos.mzML 342088.1 0 292.84486404160776 5.57543 546 Sample_10_pos.mzML 37477104.0 0 118.086136282161 5.6935368 547 Sample_10_pos.mzML 1994164.9 0 119.08943078666724 5.6957307 549 Sample_10_pos.mzML 525611.2 0 158.03999253356488 5.6885877 558 Sample_10_pos.mzML 42146976.0 0 118.08614084735753 5.695406 559 Sample_10_pos.mzML 6888096.0 0 156.0419594783285 5.700437 561 Sample_10_pos.mzML 116179.49 0 133.10503503876865 5.7478676 563 Sample_10_pos.mzML 2231712.8 0 119.08942925468972 5.6976 564 Sample_10_pos.mzML 2748946.8 0 235.1649571996301 5.6980495 573 Sample_10_pos.mzML 7229335.0 0 273.1208172600843 5.7226243 586 Sample_10_pos.mzML 1137434.1 0 150.0580937823089 5.736668 587 Sample_10_pos.mzML 1864627.8 0 257.14684101952525 5.737107 591 Sample_10_pos.mzML 12329489.0 0 163.05338891159045 5.738424 603 Sample_10_pos.mzML 1146148.1 0 107.0714836044441 5.7414956 604 Sample_10_pos.mzML 2347668.2 0 136.05042953346918 5.741495 606 Sample_10_pos.mzML 19214682.0 0 153.07702607515895 5.742373 609 Sample_10_pos.mzML 2378668.0 0 201.00917974363804 5.743689 617 Sample_10_pos.mzML 3926336.2 0 156.04195771190652 5.7104034 621 Sample_10_pos.mzML 5925640.5 0 273.12082086293464 5.7262015 622 Sample_10_pos.mzML 71281.14 0 132.10170818206214 5.7288346 628 Sample_10_pos.mzML 116179.49 0 133.10504212972964 5.765699 640 Sample_10_pos.mzML 495714.9 0 217.15447541961305 5.817688 659 Sample_10_pos.mzML 258144.31 0 203.13879992661973 5.825148 660 Sample_10_pos.mzML 616797.44 0 215.13885933944832 5.825148 674 Sample_10_pos.mzML 240333.97 0 138.0547721930798 5.8345313 678 Sample_10_pos.mzML 145711.66 0 227.15804343513688 5.843843 679 Sample_10_pos.mzML 1291826.1 0 226.1548276939271 5.84388 683 Sample_10_pos.mzML 1968706.0 0 118.08618244730933 5.818649 685 Sample_10_pos.mzML 176759.53 0 197.040867463821 5.8871245 686 Sample_10_pos.mzML 151801.56 0 320.17136170937744 5.910408 687 Sample_10_pos.mzML 909317.0 0 115.08651467149711 5.9351325 688 Sample_10_pos.mzML 256252.44 0 137.06841851907743 5.936834 690 Sample_10_pos.mzML 118579.945 0 265.11149031603264 5.9485784 691 Sample_10_pos.mzML 118790.055 0 228.14534892007973 6.0084243 693 Sample_10_pos.mzML 335551.53 0 226.1548933204581 6.043236 695 Sample_10_pos.mzML 614243.3 0 228.1454157073448 6.1668887 698 Sample_10_pos.mzML 1870517.4 0 118.08615791324712 6.2560725 699 Sample_10_pos.mzML 206041.45 0 132.10171546003687 6.300898 700 Sample_10_pos.mzML 173193.53 0 133.10509747646654 6.288588 701 Sample_10_pos.mzML 387268.3 0 153.07699495948592 6.2302094 708 Sample_10_pos.mzML 168372.97 0 298.02467259368444 6.2890944 710 Sample_10_pos.mzML 605504.1 0 162.0499397667938 6.361732 711 Sample_10_pos.mzML 1439245.4 0 118.08612947184405 6.2692437 713 Sample_10_pos.mzML 2078712.2 0 90.976550099308 6.411321 717 Sample_10_pos.mzML 319427.0 0 133.10506197129337 6.3418784 723 Sample_10_pos.mzML 110735.81 0 132.10170322970416 6.3238697 729 Sample_10_pos.mzML 4774388.0 0 430.9133167798752 6.445311 730 Sample_10_pos.mzML 3193995.5 0 498.9006283059093 6.4422398 733 Sample_10_pos.mzML 2526995.5 0 566.887996552571 6.4444346 742 Sample_10_pos.mzML 987178.5 0 162.049928906656 6.3924384 743 Sample_10_pos.mzML 2941103.2 0 566.8879974709893 6.465941 744 Sample_10_pos.mzML 305027.03 0 298.0246176631577 6.392486 746 Sample_10_pos.mzML 4022114.8 0 90.9765516798645 6.4571624 752 Sample_10_pos.mzML 6103727.5 0 362.925952839678 6.459356 753 Sample_10_pos.mzML 6286833.0 0 430.91332032039486 6.4764752 754 Sample_10_pos.mzML 4169418.5 0 498.9006293329196 6.464187 760 Sample_10_pos.mzML 6604782.5 0 430.9133173583412 6.47867 763 Sample_10_pos.mzML 7952887.5 0 362.9259521619515 6.46155 768 Sample_10_pos.mzML 5585808.0 0 498.9006350513378 6.4663815 772 Sample_10_pos.mzML 4291186.5 0 566.8880079908274 6.4703307 774 Sample_10_pos.mzML 36418920.0 0 226.95130605314407 6.4734025 776 Sample_10_pos.mzML 5254982.5 0 158.96391743043827 6.475264 777 Sample_10_pos.mzML 5287862.5 0 90.97655184812557 6.4699974 783 Sample_10_pos.mzML 8299962.0 0 430.913321997725 6.485361 797 Sample_10_pos.mzML 3120528.2 0 498.9006368424921 6.481851 798 Sample_10_pos.mzML 2394849.0 0 566.8880087807638 6.490188 801 Sample_10_pos.mzML 1189447.1 0 116.07045588148864 6.535134 806 Sample_10_pos.mzML 2228203.5 0 90.97654696859416 6.497805 807 Sample_10_pos.mzML 674440.5 0 133.1050813977587 6.57356 820 Sample_10_pos.mzML 75101.61 0 258.15586908713766 6.8444924 821 Sample_10_pos.mzML 122414.86 0 301.96555337204217 6.8449597 822 Sample_10_pos.mzML 383654.78 0 214.12973993847905 6.8736024 826 Sample_10_pos.mzML 312500.38 0 376.979765282261 6.890302 833 Sample_10_pos.mzML 337208.84 0 308.9923908286443 6.898309 835 Sample_10_pos.mzML 140512.81 0 173.09190815945408 6.8987 836 Sample_10_pos.mzML 1532969.2 0 165.99085411729348 6.9019084 837 Sample_10_pos.mzML 208896.84 0 451.9939689509807 6.901796 842 Sample_10_pos.mzML 1292968.6 0 122.02695576262852 6.907451 845 Sample_10_pos.mzML 111293.72 0 241.0309804045192 6.929818 848 Sample_10_pos.mzML 214455.64 0 118.08612324531742 6.906456 850 Sample_10_pos.mzML 1247852.6 0 122.02695713603926 6.910003 853 Sample_10_pos.mzML 122863.164 0 208.1806931005108 6.967325 857 Sample_10_pos.mzML 101192.51 0 226.95139637449867 7.056883 858 Sample_10_pos.mzML 302362.28 0 258.156014085099 7.159303 859 Sample_10_pos.mzML 103183.98 0 104.07052981519426 7.1661315 860 Sample_10_pos.mzML 299377.16 0 226.9514186720039 7.1463103 861 Sample_10_pos.mzML 39434.047 0 245.9476010251665 7.220245 862 Sample_10_pos.mzML 38159.906 0 201.9837410781343 7.2195973 863 Sample_10_pos.mzML 26891.63 0 267.92949707305337 7.2172837 864 Sample_10_pos.mzML 98151.86 0 90.05496978874557 7.6612244 865 Sample_10_pos.mzML 37922.652 0 244.140503738826 7.6647267 866 Sample_10_pos.mzML 14850.807 0 230.14997669311865 7.6839995 867 Sample_10_pos.mzML 23875.742 0 134.01883779940704 7.6638207 868 Sample_10_pos.mzML 29854.99 0 328.0301594961641 7.9222236 869 Sample_10_pos.mzML 55318.664 0 306.048316086854 7.914533 870 Sample_10_pos.mzML 50914.516 0 285.1667082325685 7.933275 871 Sample_10_pos.mzML 39903.58 0 387.2709948049544 7.9394317 872 Sample_10_pos.mzML 66677.96 0 187.10747655608205 7.93947 877 Sample_10_pos.mzML 159536.84 0 197.0894356361632 7.961445 879 Sample_10_pos.mzML 652481.7 0 269.16060472372754 7.962421 880 Sample_10_pos.mzML 247497.3 0 346.05434588118914 7.9639306 881 Sample_10_pos.mzML 183989.39 0 271.1510202898235 7.9642925 890 Sample_10_pos.mzML 157859.45 0 129.06566925010313 7.9716926 891 Sample_10_pos.mzML 1072473.4 0 120.06545039741656 7.972265 894 Sample_10_pos.mzML 349391.1 0 164.02922326766455 7.9790225 895 Sample_10_pos.mzML 117009.19 0 133.10507612878197 7.9839897 896 Sample_10_pos.mzML 134330.36 0 153.07696300828565 7.981729 899 Sample_10_pos.mzML 157859.45 0 129.06566954676447 7.973686 901 Sample_10_pos.mzML 717406.75 0 233.10652019611663 7.9997315 904 Sample_10_pos.mzML 212249.75 0 217.12933749214804 8.017409 909 Sample_10_pos.mzML 34043.703 0 205.11810687589983 8.066115 910 Sample_10_pos.mzML 70833.6 0 176.09158435507644 8.110695 911 Sample_10_pos.mzML 73091.555 0 120.06538793621888 8.095319 912 Sample_10_pos.mzML 194508.27 0 216.13414402314515 8.137809 913 Sample_10_pos.mzML 60411.094 0 254.110947332547 8.13853 918 Sample_10_pos.mzML 41637.957 0 142.09734305994664 8.155034 919 Sample_10_pos.mzML 57565.035 0 247.12867941295664 8.191632 920 Sample_10_pos.mzML 59625.957 0 203.11372007085788 8.203923 921 Sample_10_pos.mzML 31925.24 0 246.1446736791892 8.23056 922 Sample_10_pos.mzML 108886.13 0 261.1443564364716 8.234616 923 Sample_10_pos.mzML 25956.906 0 283.12626085214976 8.235302 924 Sample_10_pos.mzML 109112.28 0 269.16066025719937 8.241423 925 Sample_10_pos.mzML 16868.244 0 226.9513300667016 8.252555 926 Sample_10_pos.mzML 8648.797 0 118.0861033091863 8.375219 927 Sample_10_pos.mzML 0.0 0 244.0942511712273 8.360445 928 Sample_10_pos.mzML 18142.281 0 201.1788423536045 8.363343 929 Sample_10_pos.mzML 245891.6 0 200.1756825779179 8.360786 930 Sample_10_pos.mzML 20993.738 0 226.9513188023629 8.36787 931 Sample_10_pos.mzML 14520.887 0 217.1181167414713 8.373118 932 Sample_10_pos.mzML 28854.576 0 265.12695885890884 8.393177 933 Sample_10_pos.mzML 18587.01 0 365.105201429741 8.39588 934 Sample_10_pos.mzML 24696.625 0 157.16978702908858 8.416748 935 Sample_10_pos.mzML 11742.965 0 205.11817679551444 8.449443 936 Sample_10_pos.mzML 43222.11 0 166.0531984049978 8.511632 937 Sample_10_pos.mzML 0.0 0 210.01689084731828 8.517229 938 Sample_10_pos.mzML 51110.746 0 574.1288443930529 8.598261 939 Sample_10_pos.mzML 82410.586 0 188.03499184859004 8.604352 940 Sample_10_pos.mzML 27621.51 0 166.05302736240878 8.598813 941 Sample_10_pos.mzML 0.0 0 147.07628217729822 8.606629 942 Sample_10_pos.mzML 0.0 0 169.0581892689462 8.606629 944 Sample_10_pos.mzML 105934.51 0 175.10751430696803 8.61571 945 Sample_10_pos.mzML 143265.97 0 258.14458594133026 8.616849 949 Sample_10_pos.mzML 544556.9 0 106.0497993519311 8.619147 951 Sample_10_pos.mzML 61578.566 0 227.09996497608665 8.619727 953 Sample_10_pos.mzML 74155.83 0 365.1050858603464 8.622464 954 Sample_10_pos.mzML 70311.664 0 277.03801398466214 8.624969 957 Sample_10_pos.mzML 417808.03 0 230.1133787668119 8.627342 958 Sample_10_pos.mzML 104525.22 0 150.01357254868546 8.627431 964 Sample_10_pos.mzML 130647.44 0 268.12651808851587 8.64582 965 Sample_10_pos.mzML 71505.41 0 246.14460651871127 8.647682 966 Sample_10_pos.mzML 39072.156 0 118.0860713755489 8.666564 970 Sample_10_pos.mzML 108582.4 0 331.0597083994683 8.728163 971 Sample_10_pos.mzML 324382.72 0 177.02446857919654 8.73112 974 Sample_10_pos.mzML 438910.75 0 155.04258957375788 8.740393 975 Sample_10_pos.mzML 413742.06 0 230.1133464625389 8.74039 979 Sample_10_pos.mzML 842251.56 0 133.0606595880094 8.745018 980 Sample_10_pos.mzML 186259.42 0 286.15069933735964 8.763644 982 Sample_10_pos.mzML 205710.44 0 247.12860338588263 8.766978 988 Sample_10_pos.mzML 96020.99 0 361.1977693027184 8.791953 994 Sample_10_pos.mzML 713345.06 0 296.0656615542094 8.852614 995 Sample_10_pos.mzML 2871488.0 0 280.0918526920189 8.8539295 998 Sample_10_pos.mzML 1083127.0 0 537.1943231163153 8.85701 999 Sample_10_pos.mzML 833164.25 0 259.11326523868405 8.8587675 1003 Sample_10_pos.mzML 9827115.0 0 258.1099364516471 8.860084 1009 Sample_10_pos.mzML 35144.54 0 153.07693685054173 8.865781 1016 Sample_10_pos.mzML 283424.44 0 322.1869685406384 8.8856325 1019 Sample_10_pos.mzML 329502.78 0 348.0696595688975 8.905177 1020 Sample_10_pos.mzML 154804.6 0 156.14936280240056 8.929667 1023 Sample_10_pos.mzML 211135.53 0 255.14499651185736 8.961529 1026 Sample_10_pos.mzML 139651.39 0 198.0847628014792 8.995751 1027 Sample_10_pos.mzML 72499.21 0 176.1027959719887 8.99959 1029 Sample_10_pos.mzML 910161.0 0 288.2028931457914 9.03741 1030 Sample_10_pos.mzML 108030.25 0 289.2065919245926 9.038054 1031 Sample_10_pos.mzML 88486.79 0 168.076587656824 9.039931 1033 Sample_10_pos.mzML 160653.05 0 229.12936404392448 9.058728 1034 Sample_10_pos.mzML 79204.64 0 251.11128458048435 9.060653 1036 Sample_10_pos.mzML 147020.6 0 294.18102755142905 9.065932 1039 Sample_10_pos.mzML 46102.285 0 258.1447309396798 9.109013 1040 Sample_10_pos.mzML 9022.747 0 365.1052316626935 9.099115 1043 Sample_10_pos.mzML 25872.23 0 258.14458259952363 9.161549 1045 Sample_10_pos.mzML 96928.96 0 216.0629531114795 9.191652 1048 Sample_10_pos.mzML 75226.41 0 238.04483266653563 9.194025 1051 Sample_10_pos.mzML 269419.0 0 269.1604872451791 9.198629 1053 Sample_10_pos.mzML 1982883.8 0 260.19665861930304 9.201791 1054 Sample_10_pos.mzML 250678.72 0 261.20006499413546 9.202691 1067 Sample_10_pos.mzML 309339.84 0 149.06356867672196 9.225198 1069 Sample_10_pos.mzML 830728.7 0 130.04972503456412 9.2256365 1071 Sample_10_pos.mzML 5776651.0 0 148.06031941955982 9.226085 1079 Sample_10_pos.mzML 2312590.8 0 288.2028125859761 9.241891 1085 Sample_10_pos.mzML 242100.1 0 221.112942320711 9.250683 1096 Sample_10_pos.mzML 215052.75 0 366.10847337323975 9.300052 1099 Sample_10_pos.mzML 1688001.9 0 365.1051586729516 9.302187 1100 Sample_10_pos.mzML 22656.975 0 118.08606206806408 9.277427 1102 Sample_10_pos.mzML 143823.58 0 360.149656817636 9.311521 1107 Sample_10_pos.mzML 165151.56 0 359.26492669564453 9.318966 1111 Sample_10_pos.mzML 803729.1 0 260.1967063364553 9.344571 1112 Sample_10_pos.mzML 98504.24 0 261.2001203040639 9.346213 1113 Sample_10_pos.mzML 49801.04 0 433.0925277310742 9.346755 1118 Sample_10_pos.mzML 130500.73 0 345.22421788168214 9.386636 1121 Sample_10_pos.mzML 476362.03 0 203.1501620783906 9.454228 1122 Sample_10_pos.mzML 71811.695 0 188.1755993548724 9.460129 1124 Sample_10_pos.mzML 139191.36 0 294.16712720772256 9.486702 1125 Sample_10_pos.mzML 54907.746 0 335.0339660433254 9.493368 1126 Sample_10_pos.mzML 116674.945 0 313.0520546222224 9.502534 1127 Sample_10_pos.mzML 92445.414 0 289.206630553843 9.5099125 1128 Sample_10_pos.mzML 770220.7 0 288.2029258528593 9.509217 1131 Sample_10_pos.mzML 173651.12 0 218.18619761371053 9.525903 1132 Sample_10_pos.mzML 65413.168 0 306.06162796412696 9.547405 1133 Sample_10_pos.mzML 50272.016 0 188.17558642399584 9.518045 1134 Sample_10_pos.mzML 71469.8 0 260.1967002040386 9.570424 1135 Sample_10_pos.mzML 19509.152 0 306.1592562972893 9.571097 1136 Sample_10_pos.mzML 499730.3 0 284.0796833657358 9.646189 1137 Sample_10_pos.mzML 59460.39 0 324.0588200527568 9.649519 1138 Sample_10_pos.mzML 89786.53 0 219.09737415252712 9.655475 1139 Sample_10_pos.mzML 148112.42 0 148.0602834766663 9.6562 1141 Sample_10_pos.mzML 104821.92 0 154.01670024274702 9.662093 1143 Sample_10_pos.mzML 94567.01 0 195.04322321426469 9.665049 1144 Sample_10_pos.mzML 270089.56 0 290.1344649431372 9.675607 1145 Sample_10_pos.mzML 179175.75 0 283.04150739594115 9.690609 1149 Sample_10_pos.mzML 115717.13 0 207.0973923543056 9.729797 1150 Sample_10_pos.mzML 196452.8 0 308.09087390128616 9.73265 1151 Sample_10_pos.mzML 43702.2 0 613.1510753489329 9.735156 1155 Sample_10_pos.mzML 46293.668 0 317.2180748441611 9.774086 1157 Sample_10_pos.mzML 339444.84 0 260.1966837829511 9.806193 1159 Sample_10_pos.mzML 86001.59 0 345.2493190320606 9.83373 1163 Sample_10_pos.mzML 142504.36 0 282.1180701017672 9.848723 1164 Sample_10_pos.mzML 202508.83 0 219.0973471625064 9.852621 1165 Sample_10_pos.mzML 151982.4 0 248.12386819185812 9.854269 1167 Sample_10_pos.mzML 294688.97 0 262.90666776551785 9.858233 1168 Sample_10_pos.mzML 96333.09 0 284.0795670488393 9.863204 1171 Sample_10_pos.mzML 1139565.8 0 134.04468296663256 9.863805 1172 Sample_10_pos.mzML 192719.55 0 142.94789363209495 9.862807 1174 Sample_10_pos.mzML 174987.92 0 249.107884486856 9.871725 1175 Sample_10_pos.mzML 822266.25 0 274.18716937581314 9.873346 1181 Sample_10_pos.mzML 202707.28 0 338.1819343706756 9.884996 1185 Sample_10_pos.mzML 191722.77 0 175.14390259797082 9.938897 1187 Sample_10_pos.mzML 6550347.5 0 156.07665515382126 9.965302 1188 Sample_10_pos.mzML 183423.67 0 178.05845818353518 9.965835 1189 Sample_10_pos.mzML 346906.22 0 110.07110800895867 9.96585 1192 Sample_10_pos.mzML 403830.06 0 157.07990648632463 9.970797 1195 Sample_10_pos.mzML 316392.5 0 246.1809879902873 9.996257 1201 Sample_10_pos.mzML 81178.95 0 299.0363071280015 10.030114 1205 Sample_10_pos.mzML 152359.25 0 310.17584025335856 10.059572 1206 Sample_10_pos.mzML 106927.41 0 190.1628070441479 10.089722 1207 Sample_10_pos.mzML 1204689.1 0 189.15962556992508 10.091929 1208 Sample_10_pos.mzML 128658.07 0 275.1908113067463 10.101804 1209 Sample_10_pos.mzML 1225552.1 0 274.18718518067203 10.102931 1211 Sample_10_pos.mzML 537213.8 0 364.0649234803579 10.105504 1216 Sample_10_pos.mzML 560447.94 0 227.11370840600603 10.148948 1219 Sample_10_pos.mzML 179785.47 0 195.0254494451458 10.179174 1220 Sample_10_pos.mzML 1315004.1 0 323.0839267608916 10.180491 1224 Sample_10_pos.mzML 240445.34 0 237.05378657328663 10.185353 1229 Sample_10_pos.mzML 129457.23 0 259.12865594655494 10.204153 1234 Sample_10_pos.mzML 42448.984 0 235.09230901827425 10.252195 1239 Sample_10_pos.mzML 173887.52 0 472.2874612980231 10.308299 1242 Sample_10_pos.mzML 17493100.0 0 175.11882033505466 10.356683 1243 Sample_10_pos.mzML 564097.25 0 349.23023603947246 10.357158 1244 Sample_10_pos.mzML 204886.9 0 371.2121607007718 10.357639 1246 Sample_10_pos.mzML 1115090.1 0 176.12211343714353 10.358672 1249 Sample_10_pos.mzML 322344.66 0 197.1006803958095 10.360531 1251 Sample_10_pos.mzML 323205.47 0 130.09729229124068 10.370269 1252 Sample_10_pos.mzML 503883.75 0 246.18095223184145 10.376628 1254 Sample_10_pos.mzML 34340.375 0 364.0649180883176 10.324018 1256 Sample_10_pos.mzML 73742.83 0 272.1714484795354 10.424933 1258 Sample_10_pos.mzML 222190.38 0 257.1242348570159 10.465497 1259 Sample_10_pos.mzML 125112.89 0 285.2030842021909 10.469291 1260 Sample_10_pos.mzML 236800.6 0 156.0765780966775 10.469985 1261 Sample_10_pos.mzML 218410.55 0 442.74712460313145 10.470643 1263 Sample_10_pos.mzML 115119.64 0 347.228682719869 10.512813 1264 Sample_10_pos.mzML 120408.164 0 303.20249423925924 10.522915 1266 Sample_10_pos.mzML 184121.12 0 213.09809375538885 10.5390005 1267 Sample_10_pos.mzML 44038.742 0 589.1399646335841 10.551182 1271 Sample_10_pos.mzML 81843.47 0 156.07656270160743 10.643449 1272 Sample_10_pos.mzML 1126317.9 0 175.11883104950437 10.63616 1276 Sample_10_pos.mzML 444651.88 0 148.11599366591082 10.651277 1278 Sample_10_pos.mzML 165266.17 0 191.07647587262292 10.651727 1279 Sample_10_pos.mzML 1291748.4 0 130.0861855729082 10.652225 1280 Sample_10_pos.mzML 229060.14 0 84.08064494962149 10.652238 1281 Sample_10_pos.mzML 6998838.0 0 147.1127199612054 10.652242 1283 Sample_10_pos.mzML 147216.0 0 169.09453102570544 10.654132 1289 Sample_10_pos.mzML 170370.81 0 244.16534762312872 10.664137 1290 Sample_10_pos.mzML 85090.76 0 257.1969723050618 10.6713915 1293 Sample_10_pos.mzML 826491.9 0 133.09706985780863 10.722098 1295 Sample_10_pos.mzML 367882.25 0 116.07050095631276 10.722583 1296 Sample_10_pos.mzML 93297.23 0 489.2762008111585 10.794624 1298 Sample_10_pos.mzML 114592.234 0 175.11881153058343 10.751388 1310 Sample_10_pos.mzML 414160.1 0 304.03932259922425 10.842536 1317 Sample_10_pos.mzML 2874140.2 0 283.06144442783113 10.857608 1318 Sample_10_pos.mzML 1479413.0 0 563.1074885117305 10.858048 1320 Sample_10_pos.mzML 35872936.0 0 282.05750541230793 10.858509 1321 Sample_10_pos.mzML 3081958.5 0 284.0531507149704 10.858556 1324 Sample_10_pos.mzML 777145.25 0 163.05334706421047 10.861239 1330 Sample_10_pos.mzML 1067946.0 0 237.0359682970429 10.877342 1334 Sample_10_pos.mzML 127726.77 0 175.1187171353388 10.861039 1336 Sample_10_pos.mzML 43371.33 0 241.03078940211464 10.946838 1342 Sample_10_pos.mzML 1565112.2 0 246.1559001157775 10.92701 1345 Sample_10_pos.mzML 140378.92 0 247.15931781669644 10.927976 1346 Sample_10_pos.mzML 151278.55 0 243.1085915333856 10.930374 1348 Sample_10_pos.mzML 696700.8 0 163.0534682624983 10.963395 1349 Sample_10_pos.mzML 91492.914 0 241.0308201955841 10.969333 1350 Sample_10_pos.mzML 37582.742 0 158.91554905353604 10.985007 1352 Sample_10_pos.mzML 31643.49 0 284.0795279906775 11.007104 1353 Sample_10_pos.mzML 55667.984 0 285.1191553590796 11.007634 1354 Sample_10_pos.mzML 111756.586 0 218.14977569757968 11.019916 1355 Sample_10_pos.mzML 1081890.6 0 276.1666669024399 11.127444 1356 Sample_10_pos.mzML 99902.72 0 277.17032556111366 11.130445 1360 Sample_10_pos.mzML 60782.746 0 270.11951370352017 11.143098 1361 Sample_10_pos.mzML 43672.23 0 477.7683038765202 11.143561 1362 Sample_10_pos.mzML 574283.6 0 218.149918302188 11.197883 1364 Sample_10_pos.mzML 94346.38 0 175.11883005279304 11.212697 1365 Sample_10_pos.mzML 175861.34 0 248.16044847300984 11.214851 1366 Sample_10_pos.mzML 238818.1 0 241.03097143373472 11.219297 1367 Sample_10_pos.mzML 604788.06 0 232.14043462663736 11.221642 1369 Sample_10_pos.mzML 179439.14 0 282.057543479596 11.168553 1370 Sample_10_pos.mzML 85499.42 0 313.18703563912146 11.3278265 1371 Sample_10_pos.mzML 15086.036 0 248.1605684094749 11.336497 1374 Sample_10_pos.mzML 377583.88 0 277.1390483125494 11.51134 1376 Sample_10_pos.mzML 27177.133 0 278.1423901329732 11.513539 1377 Sample_10_pos.mzML 327722.84 0 282.057449726996 11.514416 1378 Sample_10_pos.mzML 565011.94 0 304.16126122413266 11.517955 1388 Sample_10_pos.mzML 1054009.0 0 262.1506913923568 11.531592 1389 Sample_10_pos.mzML 605972.8 0 204.13402659101504 11.532012 1407 Sample_10_pos.mzML 1186387.9 0 276.1550226035785 11.559689 1409 Sample_10_pos.mzML 76608510.0 0 241.03094338850485 11.5610075 1415 Sample_10_pos.mzML 6787737.0 0 243.02678201103345 11.562327 1426 Sample_10_pos.mzML 595041.25 0 303.1772234383022 11.568047 1437 Sample_10_pos.mzML 1099860.6 0 251.166119732511 11.585159 1457 Sample_10_pos.mzML 982624.7 0 275.1710225348117 11.613685 1466 Sample_10_pos.mzML 1740551.4 0 263.0128023889946 11.642216 1469 Sample_10_pos.mzML 279763.62 0 278.98660980913854 11.648937 1471 Sample_10_pos.mzML 349067.88 0 396.2363286809719 11.677346 1473 Sample_10_pos.mzML 1434135.4 0 234.1446648417694 11.690246 1485 Sample_10_pos.mzML 859243.4 0 261.15555602427605 11.726382 1487 Sample_10_pos.mzML 399453.03 0 289.1616430518823 11.733912 1488 Sample_10_pos.mzML 47267.613 0 182.9849459620996 11.736179 1492 Sample_10_pos.mzML 97137.805 0 304.02686844036094 11.8071165 1499 Sample_10_pos.mzML 219853.05 0 151.03510544906462 11.850545 1503 Sample_10_pos.mzML 51537.51 0 278.9867347050311 11.727371 1509 Sample_10_pos.mzML 44865.316 0 304.0269243781329 11.844499 1510 Sample_10_pos.mzML 300125.1 0 151.03514920449794 11.8673315 1515 Sample_10_pos.mzML 0.0 0 376.2189013075872 11.939273 1521 Sample_10_pos.mzML 0.0 0 473.3444755147893 12.102442 1522 Sample_10_pos.mzML 0.0 0 298.05247964856613 12.136988 1523 Sample_10_pos.mzML 44087.793 0 173.13408485930873 12.497563 1524 Sample_10_pos.mzML 30570.252 0 427.0952727376404 12.633031 1525 Sample_10_pos.mzML 3227.281 0 182.98494465025965 12.898163 1527 Sample_10_pos.mzML 2530208.5 0 167.01271717741983 12.917134 1528 Sample_10_pos.mzML 562733.3 0 255.94395639690367 12.917243 1530 Sample_10_pos.mzML 244456.72 0 385.9017133531906 12.921013 1531 Sample_10_pos.mzML 322684.75 0 143.99665492800966 12.922867 1533 Sample_10_pos.mzML 1622968.9 0 125.98620278672723 12.925508 1536 Sample_10_pos.mzML 231260.69 0 282.9047940378916 12.953278 1539 Sample_10_pos.mzML 59047.48 0 491.7875226546853 13.435786 1540 Sample_10_pos.mzML 69278.02 0 167.01272908201915 14.068723 1541 Sample_10_pos.mzML 0.0 0 241.03094812769385 14.083734 1542 Sample_10_pos.mzML 0.0 0 125.9861272213276 14.077281 1543 Sample_10_pos.mzML 1827.3862 0 241.03092328785684 14.2579565 1544 Sample_10_pos.mzML 61341.965 0 125.98610652607104 14.2632475 1545 Sample_10_pos.mzML 496155.4 0 125.9860987016528 14.282119 1546 Sample_10_pos.mzML 997921.94 0 167.01266837053672 14.29509 1547 Sample_10_pos.mzML 2223.5022 0 241.03092878208284 14.737781 1548 Sample_10_pos.mzML 0.0 0 241.03095848676367 15.381517 1549 Sample_10_pos.mzML 0.0 0 241.03092431621664 15.560758 1550 Sample_10_pos.mzML 72860.37 0 125.98607678073093 19.125986 1551 Sample_10_pos.mzML 69297.9 0 125.986068468798 19.237349 1 Sample_03_pos.mzML 52061.613 0 124.08669564836464 0.884114 2 Sample_03_pos.mzML 12420.074 0 709.5135709142155 0.9277029 3 Sample_03_pos.mzML 34814.14 0 708.5102830575064 0.92855316 4 Sample_03_pos.mzML 13473.955 0 680.4788218943072 0.94213986 5 Sample_03_pos.mzML 14470.799 0 663.4525341847894 0.94251555 8 Sample_03_pos.mzML 37396.07 0 124.0866635483428 0.9758523 13 Sample_03_pos.mzML 2405.689 0 338.3410184191165 0.94918865 14 Sample_03_pos.mzML 9692.411 0 228.19530207513023 0.9487448 15 Sample_03_pos.mzML 5913.5967 0 431.3836089366016 0.94785005 16 Sample_03_pos.mzML 43393.973 0 171.14883588649835 0.96850353 18 Sample_03_pos.mzML 262125.23 0 392.253772671759 0.95138794 19 Sample_03_pos.mzML 15737.285 0 144.98179283118262 0.9658699 24 Sample_03_pos.mzML 2332631.5 0 394.2890043118055 0.9663088 25 Sample_03_pos.mzML 10353007.0 0 393.2855729410101 0.9663088 27 Sample_03_pos.mzML 607592.9 0 377.2624336443359 0.96850294 34 Sample_03_pos.mzML 2702093.8 0 376.2589851838652 0.9727521 38 Sample_03_pos.mzML 1245481.2 0 421.31661595485554 0.9779623 39 Sample_03_pos.mzML 236688.72 0 88.07551193113026 0.97947496 53 Sample_03_pos.mzML 96117.62 0 124.08666138918748 0.993165 56 Sample_03_pos.mzML 518646.3 0 377.2624197988114 0.9718469 59 Sample_03_pos.mzML 291821.8 0 432.2372666227246 1.0112926 62 Sample_03_pos.mzML 960428.1 0 421.3166253437647 0.97587925 63 Sample_03_pos.mzML 179512.47 0 387.179513993051 1.0174752 64 Sample_03_pos.mzML 190432.95 0 404.206042018552 1.0174752 66 Sample_03_pos.mzML 49369.145 0 88.07550968410891 0.9884599 67 Sample_03_pos.mzML 1951392.4 0 394.2889108048021 0.9842202 68 Sample_03_pos.mzML 39268.75 0 351.23847785630625 1.0211498 70 Sample_03_pos.mzML 8573582.0 0 393.2854598750544 0.9889083 73 Sample_03_pos.mzML 2509026.2 0 376.25890207776246 0.99538916 74 Sample_03_pos.mzML 36154.64 0 288.2529471652366 1.0429213 75 Sample_03_pos.mzML 19972.996 0 331.0807619477385 1.0405952 77 Sample_03_pos.mzML 32524.805 0 326.3776187676901 1.0575842 78 Sample_03_pos.mzML 58862.918 0 171.14889188727136 1.0486741 79 Sample_03_pos.mzML 0.0 0 327.3810916038047 1.0591878 80 Sample_03_pos.mzML 25687.33 0 163.13257303241096 1.0823013 81 Sample_03_pos.mzML 1339473.5 0 393.2854036509345 1.0183046 83 Sample_03_pos.mzML 73245.04 0 244.1904237605233 1.0973613 84 Sample_03_pos.mzML 74791.89 0 226.1798566023925 1.0981086 85 Sample_03_pos.mzML 36918.434 0 266.17230843797444 1.0986773 86 Sample_03_pos.mzML 3875.3872 0 227.1831032067456 1.0987782 87 Sample_03_pos.mzML 97612.77 0 304.29949433328 1.1027321 88 Sample_03_pos.mzML 18320.037 0 305.30293167052633 1.1067916 92 Sample_03_pos.mzML 29586.955 0 251.18498943129944 1.1416863 93 Sample_03_pos.mzML 33613.03 0 124.08670965523844 1.1556855 94 Sample_03_pos.mzML 21563.805 0 216.0559227001227 1.1569017 95 Sample_03_pos.mzML 3394044.2 0 214.04970061718825 1.1580465 97 Sample_03_pos.mzML 427807.25 0 215.0529211514825 1.1586148 98 Sample_03_pos.mzML 34029.48 0 212.14716102940864 1.1687001 99 Sample_03_pos.mzML 3507.8555 0 258.2788169776792 1.167492 100 Sample_03_pos.mzML 128740.05 0 88.07553334535379 1.1669827 101 Sample_03_pos.mzML 40176.38 0 180.10163704706503 1.1693052 102 Sample_03_pos.mzML 0.0 0 259.28220830541363 1.1698533 103 Sample_03_pos.mzML 393667.75 0 211.143882330612 1.1725975 104 Sample_03_pos.mzML 67514.34 0 367.2087928080393 1.1786896 106 Sample_03_pos.mzML 19268.232 0 164.07039862833477 1.1870936 107 Sample_03_pos.mzML 31357.938 0 245.1281492380409 1.1915327 108 Sample_03_pos.mzML 20105.854 0 284.13905400436323 1.1924504 110 Sample_03_pos.mzML 19315.125 0 230.2476229409027 1.208052 111 Sample_03_pos.mzML 0.0 0 231.2509189682441 1.2119467 113 Sample_03_pos.mzML 32938.24 0 245.1282150522416 1.2145875 114 Sample_03_pos.mzML 45977.895 0 197.1282601988709 1.232969 115 Sample_03_pos.mzML 10581.008 0 200.23706200725795 1.2285993 116 Sample_03_pos.mzML 38171.137 0 402.3573877818645 1.2316772 117 Sample_03_pos.mzML 14119.7 0 144.04758008856655 1.2390124 119 Sample_03_pos.mzML 20105.854 0 284.1390667992057 1.1856359 120 Sample_03_pos.mzML 75318.32 0 110.05986025284652 1.3090072 121 Sample_03_pos.mzML 133524.25 0 156.10173858023458 1.2697691 122 Sample_03_pos.mzML 22965.336 0 590.2061363974616 1.27046 123 Sample_03_pos.mzML 17295.879 0 138.09113936072484 1.286875 124 Sample_03_pos.mzML 162968.95 0 96.0442997411288 1.286875 125 Sample_03_pos.mzML 82589.17 0 162.06601688304164 1.2898526 127 Sample_03_pos.mzML 92614.03 0 170.11734099333302 1.2949688 128 Sample_03_pos.mzML 92989.914 0 210.1097480469689 1.3193958 129 Sample_03_pos.mzML 82341.57 0 146.98014902199242 1.2979198 130 Sample_03_pos.mzML 51424.03 0 197.12825593496416 1.2959038 131 Sample_03_pos.mzML 216934.52 0 144.98196187706563 1.3213226 135 Sample_03_pos.mzML 22709.88 0 169.07576992147565 1.3398076 137 Sample_03_pos.mzML 59472.68 0 246.1519543589688 1.3437899 138 Sample_03_pos.mzML 39698.914 0 195.11265710236808 1.3443106 140 Sample_03_pos.mzML 52185.168 0 154.0860441472675 1.3451465 142 Sample_03_pos.mzML 97755.445 0 110.0598549901638 1.3488079 148 Sample_03_pos.mzML 73682.22 0 243.14891618061824 1.3506924 151 Sample_03_pos.mzML 176949.62 0 126.05477443803215 1.3522042 152 Sample_03_pos.mzML 116070.16 0 100.07552017645202 1.3522406 156 Sample_03_pos.mzML 322613.2 0 283.12204191444454 1.3535328 166 Sample_03_pos.mzML 67800.52 0 298.0965493713124 1.3567747 167 Sample_03_pos.mzML 146273.27 0 227.17513409439653 1.3601131 170 Sample_03_pos.mzML 92971.375 0 239.1486489095845 1.3637681 171 Sample_03_pos.mzML 25316.42 0 332.20810646332137 1.3653196 173 Sample_03_pos.mzML 173292.0 0 331.2046411437328 1.3668481 175 Sample_03_pos.mzML 23080.957 0 353.18635058440617 1.3700385 177 Sample_03_pos.mzML 70930.83 0 124.08674078601246 1.378172 178 Sample_03_pos.mzML 857172.1 0 123.05520806435112 1.3835589 181 Sample_03_pos.mzML 67226.28 0 224.07373638627203 1.3882531 182 Sample_03_pos.mzML 127258.46 0 195.1224565621741 1.3905834 184 Sample_03_pos.mzML 53942.67 0 210.1097363228984 1.3884922 187 Sample_03_pos.mzML 312058.88 0 283.1220435150896 1.3583255 190 Sample_03_pos.mzML 18477.678 0 195.11287983767883 1.3899492 191 Sample_03_pos.mzML 20763.797 0 249.13438273444345 1.4200606 192 Sample_03_pos.mzML 0.0 0 105.06971063859694 1.4354923 193 Sample_03_pos.mzML 11059.081 0 393.28554314722027 1.3910813 195 Sample_03_pos.mzML 60967.297 0 124.08674995537856 1.3871161 196 Sample_03_pos.mzML 3374.1147 0 393.28567548041735 1.4236475 197 Sample_03_pos.mzML 20566.254 0 151.09631717250656 1.4888855 198 Sample_03_pos.mzML 19309.46 0 348.14383698933153 1.4761354 199 Sample_03_pos.mzML 21604.668 0 375.0811540275393 1.489473 201 Sample_03_pos.mzML 13190.788 0 353.0992471828444 1.4867625 202 Sample_03_pos.mzML 0.0 0 337.03648815326005 1.5395262 203 Sample_03_pos.mzML 0.0 0 321.06256590229526 1.5395222 204 Sample_03_pos.mzML 0.0 0 298.0966397086858 1.6940964 205 Sample_03_pos.mzML 70977.98 0 190.08951118437503 1.7135324 206 Sample_03_pos.mzML 36800.98 0 144.98195244122175 1.9972055 207 Sample_03_pos.mzML 97823.59 0 190.0894178152409 1.9916908 208 Sample_03_pos.mzML 23172.25 0 146.08097871921322 1.9896737 209 Sample_03_pos.mzML 132303.4 0 267.1449176772506 1.9950703 210 Sample_03_pos.mzML 115029.89 0 152.07041948711262 2.0314512 211 Sample_03_pos.mzML 2449934.0 0 170.08106776554337 2.0327005 212 Sample_03_pos.mzML 194046.11 0 171.08430196994564 2.037283 213 Sample_03_pos.mzML 0.0 0 331.2046255896961 2.049584 214 Sample_03_pos.mzML 23785.527 0 212.10276003144267 2.2255604 215 Sample_03_pos.mzML 215600.61 0 176.07386576343754 2.2393477 216 Sample_03_pos.mzML 0.0 0 395.1961437435049 2.25555 217 Sample_03_pos.mzML 16203.538 0 171.07623002808543 2.4603689 218 Sample_03_pos.mzML 0.0 0 136.06166758377617 2.4618294 219 Sample_03_pos.mzML 28013.941 0 162.99758522735817 2.464494 220 Sample_03_pos.mzML 52193.785 0 176.07378886026444 2.466533 221 Sample_03_pos.mzML 84401.27 0 212.1027452521681 2.4712422 222 Sample_03_pos.mzML 46306.957 0 234.0846850483877 2.4712543 224 Sample_03_pos.mzML 94026.78 0 251.1500001009124 2.490054 225 Sample_03_pos.mzML 104427.91 0 170.08096549677393 2.497286 227 Sample_03_pos.mzML 169455.84 0 242.09971739527816 2.5311325 228 Sample_03_pos.mzML 406199.97 0 220.11781080236509 2.5324228 229 Sample_03_pos.mzML 33706.1 0 221.1210520053073 2.5324228 231 Sample_03_pos.mzML 559181.8 0 137.04566565562763 2.61302 232 Sample_03_pos.mzML 232571.84 0 167.09253949646646 2.6150174 233 Sample_03_pos.mzML 531658.4 0 159.02756167849526 2.6262987 234 Sample_03_pos.mzML 267833.75 0 175.00145180579432 2.6233456 235 Sample_03_pos.mzML 25312.535 0 83.06022538821384 2.6915092 236 Sample_03_pos.mzML 323520.5 0 159.02754096432605 2.6711876 238 Sample_03_pos.mzML 1061493.5 0 269.1074820276356 2.733594 239 Sample_03_pos.mzML 116437.945 0 136.06159150189967 2.7327607 240 Sample_03_pos.mzML 10332747.0 0 268.103853951424 2.735583 241 Sample_03_pos.mzML 39368.676 0 124.0867204867036 2.7465951 242 Sample_03_pos.mzML 50645.477 0 206.04549179878435 2.7396824 246 Sample_03_pos.mzML 101125.93 0 169.05813466701616 2.7622888 247 Sample_03_pos.mzML 17482.707 0 147.07620312825443 2.7634428 249 Sample_03_pos.mzML 108514.055 0 251.14995309511343 2.8096216 250 Sample_03_pos.mzML 18574.52 0 124.08672952186082 2.7857726 251 Sample_03_pos.mzML 74967.95 0 166.07212983034697 2.8522704 252 Sample_03_pos.mzML 25966.8 0 86.09628372212455 2.8936963 253 Sample_03_pos.mzML 309716.97 0 162.0582063782167 2.922553 254 Sample_03_pos.mzML 36829.96 0 158.08114129553522 3.0417824 255 Sample_03_pos.mzML 48685.508 0 124.03925425687731 3.3331635 256 Sample_03_pos.mzML 7025.01 0 131.11768354659372 3.5462894 259 Sample_03_pos.mzML 23362.125 0 147.03008748928804 3.6102345 265 Sample_03_pos.mzML 40996.7 0 237.1342771902892 3.554259 268 Sample_03_pos.mzML 1981920.0 0 104.10690922607166 3.615613 270 Sample_03_pos.mzML 81744.0 0 105.1101628079843 3.5773337 276 Sample_03_pos.mzML 40428.36 0 356.99219855042145 3.6094525 277 Sample_03_pos.mzML 420210.03 0 257.10061043785606 3.6021051 278 Sample_03_pos.mzML 1299612.1 0 235.11878342337727 3.6104362 279 Sample_03_pos.mzML 2755454.5 0 104.10691140742011 3.6254394 281 Sample_03_pos.mzML 1183971.1 0 146.02691561369866 3.617239 282 Sample_03_pos.mzML 376797.5 0 189.99069726862683 3.6186962 284 Sample_03_pos.mzML 3070359.0 0 104.10691151684348 3.6318386 285 Sample_03_pos.mzML 160847.55 0 105.11016638499711 3.6433537 286 Sample_03_pos.mzML 353286.06 0 270.1921498403816 3.6826499 289 Sample_03_pos.mzML 222936.9 0 307.0436219791634 3.8853528 297 Sample_03_pos.mzML 442098.78 0 291.0697298907951 3.9010928 298 Sample_03_pos.mzML 200396.83 0 257.1006228106187 3.904753 299 Sample_03_pos.mzML 130847.17 0 270.1921248236023 3.9918861 305 Sample_03_pos.mzML 1147782.4 0 235.11874356344256 3.9848194 307 Sample_03_pos.mzML 478580.94 0 146.02687268396707 3.9806588 308 Sample_03_pos.mzML 221057.48 0 314.09137691435643 3.989151 310 Sample_03_pos.mzML 190408.9 0 269.0877500718245 3.9971244 311 Sample_03_pos.mzML 320801.9 0 270.1921288646996 3.9987442 313 Sample_03_pos.mzML 226067.86 0 137.04561392556303 4.0023994 314 Sample_03_pos.mzML 118270.195 0 268.1037209235785 4.003829 315 Sample_03_pos.mzML 87208.11 0 163.05335215225128 4.0424848 317 Sample_03_pos.mzML 957503.5 0 152.05653168599866 4.009559 321 Sample_03_pos.mzML 3468510.5 0 148.04256672639687 4.012652 324 Sample_03_pos.mzML 122400.85 0 213.08672615987487 4.018884 334 Sample_03_pos.mzML 83866.94 0 245.18571573726572 4.136272 345 Sample_03_pos.mzML 73952.195 0 134.11737910350053 4.1628757 348 Sample_03_pos.mzML 221411.12 0 163.0533777453292 4.1968255 349 Sample_03_pos.mzML 0.0 0 137.04558546014155 4.19949 352 Sample_03_pos.mzML 26246.738 0 268.1037602942401 4.2119775 353 Sample_03_pos.mzML 64105.984 0 229.118040650464 4.229315 354 Sample_03_pos.mzML 109322.39 0 245.18574102113112 4.2097106 356 Sample_03_pos.mzML 43233.973 0 200.10278438614216 4.2574863 357 Sample_03_pos.mzML 9575.748 0 268.1037589105309 4.217879 358 Sample_03_pos.mzML 11450.487 0 270.1922424181455 4.279421 359 Sample_03_pos.mzML 0.0 0 189.99075931378115 4.327314 360 Sample_03_pos.mzML 33223.934 0 134.11743645494067 4.2845025 361 Sample_03_pos.mzML 0.0 0 242.18611577228643 4.3433714 362 Sample_03_pos.mzML 29694.342 0 304.1765208263302 4.7402077 363 Sample_03_pos.mzML 0.0 0 172.13294299742864 4.7589955 364 Sample_03_pos.mzML 0.0 0 189.9905913432856 4.772744 367 Sample_03_pos.mzML 265599.12 0 159.09139985691644 4.8108883 371 Sample_03_pos.mzML 1237386.8 0 120.08061352243423 4.8438725 372 Sample_03_pos.mzML 889672.94 0 167.08935800092092 4.845658 373 Sample_03_pos.mzML 828604.25 0 266.07438437754746 4.819725 375 Sample_03_pos.mzML 485734.16 0 249.0607079423268 4.8210406 378 Sample_03_pos.mzML 2568196.8 0 205.09695945152035 4.8233333 380 Sample_03_pos.mzML 1951408.2 0 188.07038343865275 4.8246927 384 Sample_03_pos.mzML 1593412.4 0 188.07038967593124 4.8265615 385 Sample_03_pos.mzML 776061.44 0 266.07438495902727 4.8215938 390 Sample_03_pos.mzML 13163105.0 0 166.08609631348253 4.846532 391 Sample_03_pos.mzML 235504.38 0 146.02679892343698 4.84755 392 Sample_03_pos.mzML 1788410.9 0 120.08061021815044 4.850492 393 Sample_03_pos.mzML 2934355.5 0 176.11331845539647 4.850525 405 Sample_03_pos.mzML 10817.849 0 124.08671779184456 4.861618 406 Sample_03_pos.mzML 298569.94 0 242.18597353886392 4.893828 414 Sample_03_pos.mzML 859734.56 0 167.0893640074416 4.8583703 415 Sample_03_pos.mzML 1084387.5 0 188.070370874549 4.853523 432 Sample_03_pos.mzML 7717674.5 0 132.10181358254428 5.070786 439 Sample_03_pos.mzML 2088683.8 0 134.10843493246685 5.0749183 440 Sample_03_pos.mzML 38524904.0 0 133.10514633013727 5.075796 441 Sample_03_pos.mzML 10729384.0 0 132.10180873486888 5.0757966 442 Sample_03_pos.mzML 973953.2 0 254.16086399050823 5.076235 444 Sample_03_pos.mzML 7529687.5 0 86.09634855868607 5.0771127 460 Sample_03_pos.mzML 878155.75 0 231.1700284982437 5.157729 462 Sample_03_pos.mzML 5771073.5 0 86.09635085819752 5.0803976 464 Sample_03_pos.mzML 8137889.5 0 132.1018131478376 5.079959 465 Sample_03_pos.mzML 29449618.0 0 133.10514770247934 5.0799584 466 Sample_03_pos.mzML 1592539.2 0 134.10843686992123 5.079081 471 Sample_03_pos.mzML 935577.2 0 231.17003514728088 5.1624675 472 Sample_03_pos.mzML 434620.06 0 177.068867688938 5.0954223 476 Sample_03_pos.mzML 346643.12 0 146.02680791872297 5.2020907 482 Sample_03_pos.mzML 405463.62 0 170.06097130330835 5.208097 485 Sample_03_pos.mzML 318945.28 0 322.054438749271 5.261234 486 Sample_03_pos.mzML 772481.44 0 306.0806507387645 5.269045 487 Sample_03_pos.mzML 376038.84 0 284.09869474213104 5.2824006 490 Sample_03_pos.mzML 933554.8 0 254.1609829416835 5.2925267 498 Sample_03_pos.mzML 139283.56 0 228.1703774765928 5.428404 499 Sample_03_pos.mzML 756357.44 0 254.16093846752423 5.4288635 500 Sample_03_pos.mzML 144266.14 0 176.06557454370355 5.4312606 501 Sample_03_pos.mzML 1027532.2 0 86.09634303157317 5.453327 502 Sample_03_pos.mzML 4851238.5 0 132.10179944532445 5.452833 505 Sample_03_pos.mzML 1186380.6 0 133.10515142846097 5.4484563 506 Sample_03_pos.mzML 5408181.5 0 132.10179448037488 5.4554677 507 Sample_03_pos.mzML 1144595.9 0 86.09633268244676 5.4559617 508 Sample_03_pos.mzML 81548.836 0 192.0394553458964 5.4579144 510 Sample_03_pos.mzML 756357.44 0 254.160928157678 5.431993 518 Sample_03_pos.mzML 346712.7 0 208.01345244401543 5.4915414 529 Sample_03_pos.mzML 899276.94 0 122.9244093086683 5.570595 530 Sample_03_pos.mzML 362995.84 0 458.7694151411931 5.5711894 532 Sample_03_pos.mzML 595813.7 0 206.88568577248728 5.572176 534 Sample_03_pos.mzML 400990.62 0 542.7307149004203 5.5728345 537 Sample_03_pos.mzML 1223299.9 0 290.8469756666516 5.574323 539 Sample_03_pos.mzML 346686.12 0 292.84486404160776 5.57543 546 Sample_03_pos.mzML 33454698.0 0 118.086136282161 5.6935368 547 Sample_03_pos.mzML 1789935.4 0 119.08943078666724 5.6957307 549 Sample_03_pos.mzML 239196.42 0 158.03999253356488 5.6885877 558 Sample_03_pos.mzML 37538990.0 0 118.08614084735753 5.695406 559 Sample_03_pos.mzML 6739473.0 0 156.0419594783285 5.700437 561 Sample_03_pos.mzML 185581.77 0 133.10503503876865 5.7478676 563 Sample_03_pos.mzML 2006154.6 0 119.08942925468972 5.6976 564 Sample_03_pos.mzML 2468340.8 0 235.1649571996301 5.6980495 573 Sample_03_pos.mzML 7576638.5 0 273.1208172600843 5.7226243 586 Sample_03_pos.mzML 1103228.2 0 150.0580937823089 5.736668 587 Sample_03_pos.mzML 1935667.2 0 257.14684101952525 5.737107 591 Sample_03_pos.mzML 2850771.8 0 163.05338891159045 5.738424 603 Sample_03_pos.mzML 1120069.5 0 107.0714836044441 5.7414956 604 Sample_03_pos.mzML 2356360.2 0 136.05042953346918 5.741495 606 Sample_03_pos.mzML 19181174.0 0 153.07702607515895 5.742373 609 Sample_03_pos.mzML 760346.94 0 201.00917974363804 5.743689 617 Sample_03_pos.mzML 2968017.2 0 156.04195771190652 5.7104034 621 Sample_03_pos.mzML 4035967.2 0 273.12082086293464 5.7262015 622 Sample_03_pos.mzML 268603.72 0 132.10170818206214 5.7288346 628 Sample_03_pos.mzML 185581.77 0 133.10504212972964 5.765699 640 Sample_03_pos.mzML 485606.4 0 217.15447541961305 5.817688 659 Sample_03_pos.mzML 250699.67 0 203.13879992661973 5.825148 660 Sample_03_pos.mzML 615271.7 0 215.13885933944832 5.825148 674 Sample_03_pos.mzML 203751.48 0 138.0547721930798 5.8345313 678 Sample_03_pos.mzML 139617.92 0 227.15804343513688 5.843843 679 Sample_03_pos.mzML 1223596.0 0 226.1548276939271 5.84388 683 Sample_03_pos.mzML 1561752.8 0 118.08618244730933 5.818649 685 Sample_03_pos.mzML 167455.39 0 197.040867463821 5.8871245 686 Sample_03_pos.mzML 141429.25 0 320.17136170937744 5.910408 687 Sample_03_pos.mzML 774215.56 0 115.08651467149711 5.9351325 688 Sample_03_pos.mzML 220996.38 0 137.06841851907743 5.936834 690 Sample_03_pos.mzML 220654.95 0 265.11149031603264 5.9485784 691 Sample_03_pos.mzML 90236.48 0 228.14534892007973 6.0084243 693 Sample_03_pos.mzML 191541.83 0 226.1548933204581 6.043236 695 Sample_03_pos.mzML 331229.0 0 228.1454157073448 6.1668887 698 Sample_03_pos.mzML 1644119.4 0 118.08615791324712 6.2560725 699 Sample_03_pos.mzML 147977.47 0 132.10171546003687 6.300898 700 Sample_03_pos.mzML 309674.34 0 133.10509747646654 6.288588 701 Sample_03_pos.mzML 420520.03 0 153.07699495948592 6.2302094 708 Sample_03_pos.mzML 150709.55 0 298.02467259368444 6.2890944 710 Sample_03_pos.mzML 376842.38 0 162.0499397667938 6.361732 711 Sample_03_pos.mzML 947304.25 0 118.08612947184405 6.2692437 713 Sample_03_pos.mzML 1924630.1 0 90.976550099308 6.411321 717 Sample_03_pos.mzML 316409.75 0 133.10506197129337 6.3418784 723 Sample_03_pos.mzML 286770.03 0 132.10170322970416 6.3238697 729 Sample_03_pos.mzML 4587245.0 0 430.9133167798752 6.445311 730 Sample_03_pos.mzML 3083248.2 0 498.9006283059093 6.4422398 733 Sample_03_pos.mzML 2459487.8 0 566.887996552571 6.4444346 742 Sample_03_pos.mzML 831708.7 0 162.049928906656 6.3924384 743 Sample_03_pos.mzML 2803971.8 0 566.8879974709893 6.465941 744 Sample_03_pos.mzML 267029.78 0 298.0246176631577 6.392486 746 Sample_03_pos.mzML 3551965.5 0 90.9765516798645 6.4571624 752 Sample_03_pos.mzML 5641016.0 0 362.925952839678 6.459356 753 Sample_03_pos.mzML 5790867.5 0 430.91332032039486 6.4764752 754 Sample_03_pos.mzML 3865996.2 0 498.9006293329196 6.464187 760 Sample_03_pos.mzML 5849440.0 0 430.9133173583412 6.47867 763 Sample_03_pos.mzML 7312490.0 0 362.9259521619515 6.46155 768 Sample_03_pos.mzML 5179927.0 0 498.9006350513378 6.4663815 772 Sample_03_pos.mzML 3998690.2 0 566.8880079908274 6.4703307 774 Sample_03_pos.mzML 33157444.0 0 226.95130605314407 6.4734025 776 Sample_03_pos.mzML 4834457.0 0 158.96391743043827 6.475264 777 Sample_03_pos.mzML 4735326.5 0 90.97655184812557 6.4699974 783 Sample_03_pos.mzML 7623654.5 0 430.913321997725 6.485361 797 Sample_03_pos.mzML 2676491.5 0 498.9006368424921 6.481851 798 Sample_03_pos.mzML 2066041.4 0 566.8880087807638 6.490188 801 Sample_03_pos.mzML 1121313.2 0 116.07045588148864 6.535134 806 Sample_03_pos.mzML 1933065.9 0 90.97654696859416 6.497805 807 Sample_03_pos.mzML 1059174.0 0 133.1050813977587 6.57356 820 Sample_03_pos.mzML 66013.75 0 258.15586908713766 6.8444924 821 Sample_03_pos.mzML 81570.15 0 301.96555337204217 6.8449597 822 Sample_03_pos.mzML 327765.4 0 214.12973993847905 6.8736024 826 Sample_03_pos.mzML 239231.67 0 376.979765282261 6.890302 833 Sample_03_pos.mzML 242842.33 0 308.9923908286443 6.898309 835 Sample_03_pos.mzML 83200.67 0 173.09190815945408 6.8987 836 Sample_03_pos.mzML 1075541.9 0 165.99085411729348 6.9019084 837 Sample_03_pos.mzML 132350.47 0 451.9939689509807 6.901796 842 Sample_03_pos.mzML 572538.25 0 122.02695576262852 6.907451 845 Sample_03_pos.mzML 56727.477 0 241.0309804045192 6.929818 848 Sample_03_pos.mzML 166025.31 0 118.08612324531742 6.906456 850 Sample_03_pos.mzML 562417.5 0 122.02695713603926 6.910003 853 Sample_03_pos.mzML 97954.73 0 208.1806931005108 6.967325 857 Sample_03_pos.mzML 104688.67 0 226.95139637449867 7.056883 858 Sample_03_pos.mzML 121631.695 0 258.156014085099 7.159303 859 Sample_03_pos.mzML 22485.31 0 104.07052981519426 7.1661315 860 Sample_03_pos.mzML 75108.76 0 226.9514186720039 7.1463103 861 Sample_03_pos.mzML 0.0 0 245.9476010251665 7.220245 862 Sample_03_pos.mzML 0.0 0 201.9837410781343 7.2195973 863 Sample_03_pos.mzML 0.0 0 267.92949707305337 7.2172837 864 Sample_03_pos.mzML 85655.65 0 90.05496978874557 7.6612244 865 Sample_03_pos.mzML 34680.734 0 244.140503738826 7.6647267 866 Sample_03_pos.mzML 11339.219 0 230.14997669311865 7.6839995 867 Sample_03_pos.mzML 9299.572 0 134.01883779940704 7.6638207 868 Sample_03_pos.mzML 27065.102 0 328.0301594961641 7.9222236 869 Sample_03_pos.mzML 58664.273 0 306.048316086854 7.914533 870 Sample_03_pos.mzML 45604.145 0 285.1667082325685 7.933275 871 Sample_03_pos.mzML 36685.883 0 387.2709948049544 7.9394317 872 Sample_03_pos.mzML 63896.65 0 187.10747655608205 7.93947 877 Sample_03_pos.mzML 143640.56 0 197.0894356361632 7.961445 879 Sample_03_pos.mzML 584993.9 0 269.16060472372754 7.962421 880 Sample_03_pos.mzML 260001.89 0 346.05434588118914 7.9639306 881 Sample_03_pos.mzML 191804.52 0 271.1510202898235 7.9642925 890 Sample_03_pos.mzML 145715.53 0 129.06566925010313 7.9716926 891 Sample_03_pos.mzML 1009223.25 0 120.06545039741656 7.972265 894 Sample_03_pos.mzML 351812.28 0 164.02922326766455 7.9790225 895 Sample_03_pos.mzML 183087.12 0 133.10507612878197 7.9839897 896 Sample_03_pos.mzML 114931.81 0 153.07696300828565 7.981729 899 Sample_03_pos.mzML 145715.53 0 129.06566954676447 7.973686 901 Sample_03_pos.mzML 645009.0 0 233.10652019611663 7.9997315 904 Sample_03_pos.mzML 201477.08 0 217.12933749214804 8.017409 909 Sample_03_pos.mzML 33533.66 0 205.11810687589983 8.066115 910 Sample_03_pos.mzML 69084.98 0 176.09158435507644 8.110695 911 Sample_03_pos.mzML 54798.5 0 120.06538793621888 8.095319 912 Sample_03_pos.mzML 185708.23 0 216.13414402314515 8.137809 913 Sample_03_pos.mzML 57082.766 0 254.110947332547 8.13853 918 Sample_03_pos.mzML 39343.37 0 142.09734305994664 8.155034 919 Sample_03_pos.mzML 52135.594 0 247.12867941295664 8.191632 920 Sample_03_pos.mzML 55592.35 0 203.11372007085788 8.203923 921 Sample_03_pos.mzML 29450.805 0 246.1446736791892 8.23056 922 Sample_03_pos.mzML 99714.21 0 261.1443564364716 8.234616 923 Sample_03_pos.mzML 23432.62 0 283.12626085214976 8.235302 924 Sample_03_pos.mzML 93283.07 0 269.16066025719937 8.241423 925 Sample_03_pos.mzML 5121.9253 0 226.9513300667016 8.252555 926 Sample_03_pos.mzML 1700.5381 0 118.0861033091863 8.375219 927 Sample_03_pos.mzML 0.0 0 244.0942511712273 8.360445 928 Sample_03_pos.mzML 14453.624 0 201.1788423536045 8.363343 929 Sample_03_pos.mzML 216574.94 0 200.1756825779179 8.360786 930 Sample_03_pos.mzML 28894.129 0 226.9513188023629 8.36787 931 Sample_03_pos.mzML 11135.324 0 217.1181167414713 8.373118 932 Sample_03_pos.mzML 23338.08 0 265.12695885890884 8.393177 933 Sample_03_pos.mzML 12269.173 0 365.105201429741 8.39588 934 Sample_03_pos.mzML 18931.229 0 157.16978702908858 8.416748 935 Sample_03_pos.mzML 7177.9385 0 205.11817679551444 8.449443 936 Sample_03_pos.mzML 38541.93 0 166.0531984049978 8.511632 937 Sample_03_pos.mzML 0.0 0 210.01689084731828 8.517229 938 Sample_03_pos.mzML 47251.293 0 574.1288443930529 8.598261 939 Sample_03_pos.mzML 75197.29 0 188.03499184859004 8.604352 940 Sample_03_pos.mzML 23688.125 0 166.05302736240878 8.598813 941 Sample_03_pos.mzML 0.0 0 147.07628217729822 8.606629 942 Sample_03_pos.mzML 0.0 0 169.0581892689462 8.606629 944 Sample_03_pos.mzML 97416.17 0 175.10751430696803 8.61571 945 Sample_03_pos.mzML 138026.73 0 258.14458594133026 8.616849 949 Sample_03_pos.mzML 518523.78 0 106.0497993519311 8.619147 951 Sample_03_pos.mzML 56761.684 0 227.09996497608665 8.619727 953 Sample_03_pos.mzML 74442.414 0 365.1050858603464 8.622464 954 Sample_03_pos.mzML 78553.42 0 277.03801398466214 8.624969 957 Sample_03_pos.mzML 387850.28 0 230.1133787668119 8.627342 958 Sample_03_pos.mzML 115851.84 0 150.01357254868546 8.627431 964 Sample_03_pos.mzML 131461.4 0 268.12651808851587 8.64582 965 Sample_03_pos.mzML 71952.664 0 246.14460651871127 8.647682 966 Sample_03_pos.mzML 59352.1 0 118.0860713755489 8.666564 970 Sample_03_pos.mzML 116103.266 0 331.0597083994683 8.728163 971 Sample_03_pos.mzML 323904.0 0 177.02446857919654 8.73112 974 Sample_03_pos.mzML 573709.9 0 155.04258957375788 8.740393 975 Sample_03_pos.mzML 462971.62 0 230.1133464625389 8.74039 979 Sample_03_pos.mzML 888876.2 0 133.0606595880094 8.745018 980 Sample_03_pos.mzML 243057.61 0 286.15069933735964 8.763644 982 Sample_03_pos.mzML 227295.88 0 247.12860338588263 8.766978 988 Sample_03_pos.mzML 131992.86 0 361.1977693027184 8.791953 994 Sample_03_pos.mzML 1035954.2 0 296.0656615542094 8.852614 995 Sample_03_pos.mzML 3845177.8 0 280.0918526920189 8.8539295 998 Sample_03_pos.mzML 1517157.1 0 537.1943231163153 8.85701 999 Sample_03_pos.mzML 1192061.8 0 259.11326523868405 8.8587675 1003 Sample_03_pos.mzML 14136317.0 0 258.1099364516471 8.860084 1009 Sample_03_pos.mzML 30183.236 0 153.07693685054173 8.865781 1016 Sample_03_pos.mzML 410118.56 0 322.1869685406384 8.8856325 1019 Sample_03_pos.mzML 345656.03 0 348.0696595688975 8.905177 1020 Sample_03_pos.mzML 187739.81 0 156.14936280240056 8.929667 1023 Sample_03_pos.mzML 290230.78 0 255.14499651185736 8.961529 1026 Sample_03_pos.mzML 159267.33 0 198.0847628014792 8.995751 1027 Sample_03_pos.mzML 83650.695 0 176.1027959719887 8.99959 1029 Sample_03_pos.mzML 1296369.4 0 288.2028931457914 9.03741 1030 Sample_03_pos.mzML 154305.3 0 289.2065919245926 9.038054 1031 Sample_03_pos.mzML 103479.16 0 168.076587656824 9.039931 1033 Sample_03_pos.mzML 192680.78 0 229.12936404392448 9.058728 1034 Sample_03_pos.mzML 92252.055 0 251.11128458048435 9.060653 1036 Sample_03_pos.mzML 191903.5 0 294.18102755142905 9.065932 1039 Sample_03_pos.mzML 49748.51 0 258.1447309396798 9.109013 1040 Sample_03_pos.mzML 26992.52 0 365.1052316626935 9.099115 1043 Sample_03_pos.mzML 31805.176 0 258.14458259952363 9.161549 1045 Sample_03_pos.mzML 100129.984 0 216.0629531114795 9.191652 1048 Sample_03_pos.mzML 78666.66 0 238.04483266653563 9.194025 1051 Sample_03_pos.mzML 385211.2 0 269.1604872451791 9.198629 1053 Sample_03_pos.mzML 2732063.2 0 260.19665861930304 9.201791 1054 Sample_03_pos.mzML 343751.34 0 261.20006499413546 9.202691 1067 Sample_03_pos.mzML 379569.53 0 149.06356867672196 9.225198 1069 Sample_03_pos.mzML 1027617.9 0 130.04972503456412 9.2256365 1071 Sample_03_pos.mzML 7131460.5 0 148.06031941955982 9.226085 1079 Sample_03_pos.mzML 3287361.5 0 288.2028125859761 9.241891 1085 Sample_03_pos.mzML 344761.6 0 221.112942320711 9.250683 1096 Sample_03_pos.mzML 313631.12 0 366.10847337323975 9.300052 1099 Sample_03_pos.mzML 2407501.5 0 365.1051586729516 9.302187 1100 Sample_03_pos.mzML 45968.18 0 118.08606206806408 9.277427 1102 Sample_03_pos.mzML 227812.94 0 360.149656817636 9.311521 1107 Sample_03_pos.mzML 240195.55 0 359.26492669564453 9.318966 1111 Sample_03_pos.mzML 1190372.0 0 260.1967063364553 9.344571 1112 Sample_03_pos.mzML 144987.03 0 261.2001203040639 9.346213 1113 Sample_03_pos.mzML 45250.984 0 433.0925277310742 9.346755 1118 Sample_03_pos.mzML 163109.84 0 345.22421788168214 9.386636 1121 Sample_03_pos.mzML 482074.2 0 203.1501620783906 9.454228 1122 Sample_03_pos.mzML 72994.08 0 188.1755993548724 9.460129 1124 Sample_03_pos.mzML 130793.3 0 294.16712720772256 9.486702 1125 Sample_03_pos.mzML 71116.82 0 335.0339660433254 9.493368 1126 Sample_03_pos.mzML 146385.31 0 313.0520546222224 9.502534 1127 Sample_03_pos.mzML 102367.59 0 289.206630553843 9.5099125 1128 Sample_03_pos.mzML 865665.7 0 288.2029258528593 9.509217 1131 Sample_03_pos.mzML 154651.81 0 218.18619761371053 9.525903 1132 Sample_03_pos.mzML 52691.31 0 306.06162796412696 9.547405 1133 Sample_03_pos.mzML 46588.305 0 188.17558642399584 9.518045 1134 Sample_03_pos.mzML 73403.58 0 260.1967002040386 9.570424 1135 Sample_03_pos.mzML 22386.834 0 306.1592562972893 9.571097 1136 Sample_03_pos.mzML 463755.75 0 284.0796833657358 9.646189 1137 Sample_03_pos.mzML 55152.61 0 324.0588200527568 9.649519 1138 Sample_03_pos.mzML 81564.01 0 219.09737415252712 9.655475 1139 Sample_03_pos.mzML 164702.03 0 148.0602834766663 9.6562 1141 Sample_03_pos.mzML 66052.46 0 154.01670024274702 9.662093 1143 Sample_03_pos.mzML 12709.594 0 195.04322321426469 9.665049 1144 Sample_03_pos.mzML 247061.94 0 290.1344649431372 9.675607 1145 Sample_03_pos.mzML 185799.97 0 283.04150739594115 9.690609 1149 Sample_03_pos.mzML 111543.984 0 207.0973923543056 9.729797 1150 Sample_03_pos.mzML 66919.54 0 308.09087390128616 9.73265 1151 Sample_03_pos.mzML 43488.508 0 613.1510753489329 9.735156 1155 Sample_03_pos.mzML 45968.6 0 317.2180748441611 9.774086 1157 Sample_03_pos.mzML 326789.5 0 260.1966837829511 9.806193 1159 Sample_03_pos.mzML 83523.31 0 345.2493190320606 9.83373 1163 Sample_03_pos.mzML 129059.516 0 282.1180701017672 9.848723 1164 Sample_03_pos.mzML 201833.84 0 219.0973471625064 9.852621 1165 Sample_03_pos.mzML 148036.75 0 248.12386819185812 9.854269 1167 Sample_03_pos.mzML 250217.88 0 262.90666776551785 9.858233 1168 Sample_03_pos.mzML 97124.68 0 284.0795670488393 9.863204 1171 Sample_03_pos.mzML 1127351.6 0 134.04468296663256 9.863805 1172 Sample_03_pos.mzML 157126.64 0 142.94789363209495 9.862807 1174 Sample_03_pos.mzML 179968.81 0 249.107884486856 9.871725 1175 Sample_03_pos.mzML 822179.25 0 274.18716937581314 9.873346 1181 Sample_03_pos.mzML 211154.17 0 338.1819343706756 9.884996 1185 Sample_03_pos.mzML 188375.6 0 175.14390259797082 9.938897 1187 Sample_03_pos.mzML 6480774.0 0 156.07665515382126 9.965302 1188 Sample_03_pos.mzML 174460.2 0 178.05845818353518 9.965835 1189 Sample_03_pos.mzML 341814.97 0 110.07110800895867 9.96585 1192 Sample_03_pos.mzML 421604.06 0 157.07990648632463 9.970797 1195 Sample_03_pos.mzML 293558.75 0 246.1809879902873 9.996257 1201 Sample_03_pos.mzML 99183.28 0 299.0363071280015 10.030114 1205 Sample_03_pos.mzML 139523.69 0 310.17584025335856 10.059572 1206 Sample_03_pos.mzML 100271.27 0 190.1628070441479 10.089722 1207 Sample_03_pos.mzML 1143866.1 0 189.15962556992508 10.091929 1208 Sample_03_pos.mzML 115200.76 0 275.1908113067463 10.101804 1209 Sample_03_pos.mzML 1092745.2 0 274.18718518067203 10.102931 1211 Sample_03_pos.mzML 506435.56 0 364.0649234803579 10.105504 1216 Sample_03_pos.mzML 512138.84 0 227.11370840600603 10.148948 1219 Sample_03_pos.mzML 14661.975 0 195.0254494451458 10.179174 1220 Sample_03_pos.mzML 190611.16 0 323.0839267608916 10.180491 1224 Sample_03_pos.mzML 206641.86 0 237.05378657328663 10.185353 1229 Sample_03_pos.mzML 123819.516 0 259.12865594655494 10.204153 1234 Sample_03_pos.mzML 30698.9 0 235.09230901827425 10.252195 1239 Sample_03_pos.mzML 155333.03 0 472.2874612980231 10.308299 1242 Sample_03_pos.mzML 17300910.0 0 175.11882033505466 10.356683 1243 Sample_03_pos.mzML 557079.75 0 349.23023603947246 10.357158 1244 Sample_03_pos.mzML 189661.52 0 371.2121607007718 10.357639 1246 Sample_03_pos.mzML 1116870.6 0 176.12211343714353 10.358672 1249 Sample_03_pos.mzML 313480.25 0 197.1006803958095 10.360531 1251 Sample_03_pos.mzML 177283.94 0 130.09729229124068 10.370269 1252 Sample_03_pos.mzML 507979.94 0 246.18095223184145 10.376628 1254 Sample_03_pos.mzML 28753.938 0 364.0649180883176 10.324018 1256 Sample_03_pos.mzML 74048.12 0 272.1714484795354 10.424933 1258 Sample_03_pos.mzML 224687.61 0 257.1242348570159 10.465497 1259 Sample_03_pos.mzML 121212.09 0 285.2030842021909 10.469291 1260 Sample_03_pos.mzML 137947.36 0 156.0765780966775 10.469985 1261 Sample_03_pos.mzML 217232.47 0 442.74712460313145 10.470643 1263 Sample_03_pos.mzML 110789.875 0 347.228682719869 10.512813 1264 Sample_03_pos.mzML 107990.47 0 303.20249423925924 10.522915 1266 Sample_03_pos.mzML 155307.56 0 213.09809375538885 10.5390005 1267 Sample_03_pos.mzML 38560.18 0 589.1399646335841 10.551182 1271 Sample_03_pos.mzML 84369.78 0 156.07656270160743 10.643449 1272 Sample_03_pos.mzML 1056141.9 0 175.11883104950437 10.63616 1276 Sample_03_pos.mzML 414528.94 0 148.11599366591082 10.651277 1278 Sample_03_pos.mzML 139175.72 0 191.07647587262292 10.651727 1279 Sample_03_pos.mzML 1191994.8 0 130.0861855729082 10.652225 1280 Sample_03_pos.mzML 189485.53 0 84.08064494962149 10.652238 1281 Sample_03_pos.mzML 6307834.0 0 147.1127199612054 10.652242 1283 Sample_03_pos.mzML 129352.0 0 169.09453102570544 10.654132 1289 Sample_03_pos.mzML 164628.42 0 244.16534762312872 10.664137 1290 Sample_03_pos.mzML 70079.086 0 257.1969723050618 10.6713915 1293 Sample_03_pos.mzML 817380.7 0 133.09706985780863 10.722098 1295 Sample_03_pos.mzML 370885.47 0 116.07050095631276 10.722583 1296 Sample_03_pos.mzML 85435.164 0 489.2762008111585 10.794624 1298 Sample_03_pos.mzML 252291.66 0 175.11881153058343 10.751388 1310 Sample_03_pos.mzML 876544.6 0 304.03932259922425 10.842536 1317 Sample_03_pos.mzML 1547164.8 0 283.06144442783113 10.857608 1318 Sample_03_pos.mzML 801172.25 0 563.1074885117305 10.858048 1320 Sample_03_pos.mzML 20449818.0 0 282.05750541230793 10.858509 1321 Sample_03_pos.mzML 1759772.1 0 284.0531507149704 10.858556 1324 Sample_03_pos.mzML 357938.2 0 163.05334706421047 10.861239 1330 Sample_03_pos.mzML 448032.7 0 237.0359682970429 10.877342 1334 Sample_03_pos.mzML 148848.55 0 175.1187171353388 10.861039 1336 Sample_03_pos.mzML 70274.76 0 241.03078940211464 10.946838 1342 Sample_03_pos.mzML 1622755.2 0 246.1559001157775 10.92701 1345 Sample_03_pos.mzML 149206.22 0 247.15931781669644 10.927976 1346 Sample_03_pos.mzML 148172.33 0 243.1085915333856 10.930374 1348 Sample_03_pos.mzML 350504.72 0 163.0534682624983 10.963395 1349 Sample_03_pos.mzML 172061.0 0 241.0308201955841 10.969333 1350 Sample_03_pos.mzML 35467.62 0 158.91554905353604 10.985007 1352 Sample_03_pos.mzML 23650.943 0 284.0795279906775 11.007104 1353 Sample_03_pos.mzML 39380.4 0 285.1191553590796 11.007634 1354 Sample_03_pos.mzML 84429.52 0 218.14977569757968 11.019916 1355 Sample_03_pos.mzML 171526.7 0 276.1666669024399 11.127444 1356 Sample_03_pos.mzML 7999.808 0 277.17032556111366 11.130445 1360 Sample_03_pos.mzML 0.0 0 270.11951370352017 11.143098 1361 Sample_03_pos.mzML 33239.992 0 477.7683038765202 11.143561 1362 Sample_03_pos.mzML 62980.99 0 218.149918302188 11.197883 1364 Sample_03_pos.mzML 0.0 0 175.11883005279304 11.212697 1365 Sample_03_pos.mzML 16713.926 0 248.16044847300984 11.214851 1366 Sample_03_pos.mzML 0.0 0 241.03097143373472 11.219297 1367 Sample_03_pos.mzML 74714.92 0 232.14043462663736 11.221642 1369 Sample_03_pos.mzML 0.0 0 282.057543479596 11.168553 1370 Sample_03_pos.mzML 62039.094 0 313.18703563912146 11.3278265 1371 Sample_03_pos.mzML 12682.907 0 248.1605684094749 11.336497 1374 Sample_03_pos.mzML 400455.0 0 277.1390483125494 11.51134 1376 Sample_03_pos.mzML 32095.45 0 278.1423901329732 11.513539 1377 Sample_03_pos.mzML 124748.85 0 282.057449726996 11.514416 1378 Sample_03_pos.mzML 509776.78 0 304.16126122413266 11.517955 1388 Sample_03_pos.mzML 536395.56 0 262.1506913923568 11.531592 1389 Sample_03_pos.mzML 681521.8 0 204.13402659101504 11.532012 1407 Sample_03_pos.mzML 1170965.6 0 276.1550226035785 11.559689 1409 Sample_03_pos.mzML 98329760.0 0 241.03094338850485 11.5610075 1415 Sample_03_pos.mzML 8650774.0 0 243.02678201103345 11.562327 1426 Sample_03_pos.mzML 526280.8 0 303.1772234383022 11.568047 1437 Sample_03_pos.mzML 1116415.9 0 251.166119732511 11.585159 1457 Sample_03_pos.mzML 986726.7 0 275.1710225348117 11.613685 1466 Sample_03_pos.mzML 2393426.5 0 263.0128023889946 11.642216 1469 Sample_03_pos.mzML 418198.38 0 278.98660980913854 11.648937 1471 Sample_03_pos.mzML 345184.25 0 396.2363286809719 11.677346 1473 Sample_03_pos.mzML 1744339.0 0 234.1446648417694 11.690246 1485 Sample_03_pos.mzML 1288012.2 0 261.15555602427605 11.726382 1487 Sample_03_pos.mzML 506053.12 0 289.1616430518823 11.733912 1488 Sample_03_pos.mzML 202680.45 0 182.9849459620996 11.736179 1492 Sample_03_pos.mzML 107144.01 0 304.02686844036094 11.8071165 1499 Sample_03_pos.mzML 162381.95 0 151.03510544906462 11.850545 1503 Sample_03_pos.mzML 170189.48 0 278.9867347050311 11.727371 1509 Sample_03_pos.mzML 270324.9 0 304.0269243781329 11.844499 1510 Sample_03_pos.mzML 611903.5 0 151.03514920449794 11.8673315 1515 Sample_03_pos.mzML 32744.295 0 376.2189013075872 11.939273 1521 Sample_03_pos.mzML 0.0 0 473.3444755147893 12.102442 1522 Sample_03_pos.mzML 0.0 0 298.05247964856613 12.136988 1523 Sample_03_pos.mzML 39540.586 0 173.13408485930873 12.497563 1524 Sample_03_pos.mzML 26898.9 0 427.0952727376404 12.633031 1525 Sample_03_pos.mzML 42950.375 0 182.98494465025965 12.898163 1527 Sample_03_pos.mzML 2430576.5 0 167.01271717741983 12.917134 1528 Sample_03_pos.mzML 624038.75 0 255.94395639690367 12.917243 1530 Sample_03_pos.mzML 246511.67 0 385.9017133531906 12.921013 1531 Sample_03_pos.mzML 336708.8 0 143.99665492800966 12.922867 1533 Sample_03_pos.mzML 1482996.0 0 125.98620278672723 12.925508 1536 Sample_03_pos.mzML 281800.0 0 282.9047940378916 12.953278 1539 Sample_03_pos.mzML 47835.453 0 491.7875226546853 13.435786 1540 Sample_03_pos.mzML 64863.812 0 167.01272908201915 14.068723 1541 Sample_03_pos.mzML 0.0 0 241.03094812769385 14.083734 1542 Sample_03_pos.mzML 0.0 0 125.9861272213276 14.077281 1543 Sample_03_pos.mzML 5412.2646 0 241.03092328785684 14.2579565 1544 Sample_03_pos.mzML 37029.438 0 125.98610652607104 14.2632475 1545 Sample_03_pos.mzML 407448.1 0 125.9860987016528 14.282119 1546 Sample_03_pos.mzML 1012665.2 0 167.01266837053672 14.29509 1547 Sample_03_pos.mzML 93234.305 0 241.03092878208284 14.737781 1548 Sample_03_pos.mzML 31101.7 0 241.03095848676367 15.381517 1549 Sample_03_pos.mzML 2769.794 0 241.03092431621664 15.560758 1550 Sample_03_pos.mzML 367704.62 0 125.98607678073093 19.125986 1551 Sample_03_pos.mzML 69779.516 0 125.986068468798 19.237349 1 Sample_09_pos.mzML 59588.06 0 124.08669564836464 0.884114 2 Sample_09_pos.mzML 8746.409 0 709.5135709142155 0.9277029 3 Sample_09_pos.mzML 34588.707 0 708.5102830575064 0.92855316 4 Sample_09_pos.mzML 4580.6396 0 680.4788218943072 0.94213986 5 Sample_09_pos.mzML 11248.736 0 663.4525341847894 0.94251555 8 Sample_09_pos.mzML 73141.234 0 124.0866635483428 0.9758523 13 Sample_09_pos.mzML 25206.81 0 338.3410184191165 0.94918865 14 Sample_09_pos.mzML 14685.248 0 228.19530207513023 0.9487448 15 Sample_09_pos.mzML 28206.006 0 431.3836089366016 0.94785005 16 Sample_09_pos.mzML 7410.791 0 171.14883588649835 0.96850353 18 Sample_09_pos.mzML 401645.88 0 392.253772671759 0.95138794 19 Sample_09_pos.mzML 5965.1997 0 144.98179283118262 0.9658699 24 Sample_09_pos.mzML 4294507.0 0 394.2890043118055 0.9663088 25 Sample_09_pos.mzML 18772470.0 0 393.2855729410101 0.9663088 27 Sample_09_pos.mzML 1128176.4 0 377.2624336443359 0.96850294 34 Sample_09_pos.mzML 5126024.0 0 376.2589851838652 0.9727521 38 Sample_09_pos.mzML 70211.54 0 421.31661595485554 0.9779623 39 Sample_09_pos.mzML 106955.98 0 88.07551193113026 0.97947496 53 Sample_09_pos.mzML 16831.457 0 124.08666138918748 0.993165 56 Sample_09_pos.mzML 1128176.4 0 377.2624197988114 0.9718469 59 Sample_09_pos.mzML 70542.58 0 432.2372666227246 1.0112926 62 Sample_09_pos.mzML 2047490.1 0 421.3166253437647 0.97587925 63 Sample_09_pos.mzML 46601.21 0 387.179513993051 1.0174752 64 Sample_09_pos.mzML 56916.836 0 404.206042018552 1.0174752 66 Sample_09_pos.mzML 78632.625 0 88.07550968410891 0.9884599 67 Sample_09_pos.mzML 83314.32 0 394.2889108048021 0.9842202 68 Sample_09_pos.mzML 39665.61 0 351.23847785630625 1.0211498 70 Sample_09_pos.mzML 444512.53 0 393.2854598750544 0.9889083 73 Sample_09_pos.mzML 94622.74 0 376.25890207776246 0.99538916 74 Sample_09_pos.mzML 11397.434 0 288.2529471652366 1.0429213 75 Sample_09_pos.mzML 18599.85 0 331.0807619477385 1.0405952 77 Sample_09_pos.mzML 66050.61 0 326.3776187676901 1.0575842 78 Sample_09_pos.mzML 42533.95 0 171.14889188727136 1.0486741 79 Sample_09_pos.mzML 13483.651 0 327.3810916038047 1.0591878 80 Sample_09_pos.mzML 22980.943 0 163.13257303241096 1.0823013 81 Sample_09_pos.mzML 410126.22 0 393.2854036509345 1.0183046 83 Sample_09_pos.mzML 150846.95 0 244.1904237605233 1.0973613 84 Sample_09_pos.mzML 163164.11 0 226.1798566023925 1.0981086 85 Sample_09_pos.mzML 87734.914 0 266.17230843797444 1.0986773 86 Sample_09_pos.mzML 19644.02 0 227.1831032067456 1.0987782 87 Sample_09_pos.mzML 46446.117 0 304.29949433328 1.1027321 88 Sample_09_pos.mzML 6700.3887 0 305.30293167052633 1.1067916 92 Sample_09_pos.mzML 39175.086 0 251.18498943129944 1.1416863 93 Sample_09_pos.mzML 58757.953 0 124.08670965523844 1.1556855 94 Sample_09_pos.mzML 22257.693 0 216.0559227001227 1.1569017 95 Sample_09_pos.mzML 3318521.0 0 214.04970061718825 1.1580465 97 Sample_09_pos.mzML 421256.75 0 215.0529211514825 1.1586148 98 Sample_09_pos.mzML 41218.9 0 212.14716102940864 1.1687001 99 Sample_09_pos.mzML 0.0 0 258.2788169776792 1.167492 100 Sample_09_pos.mzML 121118.22 0 88.07553334535379 1.1669827 101 Sample_09_pos.mzML 42025.734 0 180.10163704706503 1.1693052 102 Sample_09_pos.mzML 0.0 0 259.28220830541363 1.1698533 103 Sample_09_pos.mzML 394566.2 0 211.143882330612 1.1725975 104 Sample_09_pos.mzML 50398.82 0 367.2087928080393 1.1786896 106 Sample_09_pos.mzML 21904.58 0 164.07039862833477 1.1870936 107 Sample_09_pos.mzML 46241.88 0 245.1281492380409 1.1915327 108 Sample_09_pos.mzML 22899.203 0 284.13905400436323 1.1924504 110 Sample_09_pos.mzML 14452.32 0 230.2476229409027 1.208052 111 Sample_09_pos.mzML 0.0 0 231.2509189682441 1.2119467 113 Sample_09_pos.mzML 30229.8 0 245.1282150522416 1.2145875 114 Sample_09_pos.mzML 43966.08 0 197.1282601988709 1.232969 115 Sample_09_pos.mzML 9798.116 0 200.23706200725795 1.2285993 116 Sample_09_pos.mzML 22918.758 0 402.3573877818645 1.2316772 117 Sample_09_pos.mzML 19873.354 0 144.04758008856655 1.2390124 119 Sample_09_pos.mzML 22899.203 0 284.1390667992057 1.1856359 120 Sample_09_pos.mzML 17489.9 0 110.05986025284652 1.3090072 121 Sample_09_pos.mzML 20949.088 0 156.10173858023458 1.2697691 122 Sample_09_pos.mzML 29101.53 0 590.2061363974616 1.27046 123 Sample_09_pos.mzML 15835.607 0 138.09113936072484 1.286875 124 Sample_09_pos.mzML 139956.89 0 96.0442997411288 1.286875 125 Sample_09_pos.mzML 0.0 0 162.06601688304164 1.2898526 127 Sample_09_pos.mzML 14102.17 0 170.11734099333302 1.2949688 128 Sample_09_pos.mzML 17549.744 0 210.1097480469689 1.3193958 129 Sample_09_pos.mzML 0.0 0 146.98014902199242 1.2979198 130 Sample_09_pos.mzML 40673.484 0 197.12825593496416 1.2959038 131 Sample_09_pos.mzML 1441.0403 0 144.98196187706563 1.3213226 135 Sample_09_pos.mzML 20292.473 0 169.07576992147565 1.3398076 137 Sample_09_pos.mzML 123498.85 0 246.1519543589688 1.3437899 138 Sample_09_pos.mzML 42497.996 0 195.11265710236808 1.3443106 140 Sample_09_pos.mzML 1246.2214 0 154.0860441472675 1.3451465 142 Sample_09_pos.mzML 73719.36 0 110.0598549901638 1.3488079 148 Sample_09_pos.mzML 67767.945 0 243.14891618061824 1.3506924 151 Sample_09_pos.mzML 191391.64 0 126.05477443803215 1.3522042 152 Sample_09_pos.mzML 119693.99 0 100.07552017645202 1.3522406 156 Sample_09_pos.mzML 0.0 0 283.12204191444454 1.3535328 166 Sample_09_pos.mzML 528973.56 0 298.0965493713124 1.3567747 167 Sample_09_pos.mzML 147508.08 0 227.17513409439653 1.3601131 170 Sample_09_pos.mzML 126549.695 0 239.1486489095845 1.3637681 171 Sample_09_pos.mzML 77813.73 0 332.20810646332137 1.3653196 173 Sample_09_pos.mzML 494425.2 0 331.2046411437328 1.3668481 175 Sample_09_pos.mzML 82475.87 0 353.18635058440617 1.3700385 177 Sample_09_pos.mzML 78932.38 0 124.08674078601246 1.378172 178 Sample_09_pos.mzML 923595.5 0 123.05520806435112 1.3835589 181 Sample_09_pos.mzML 71201.21 0 224.07373638627203 1.3882531 182 Sample_09_pos.mzML 220082.05 0 195.1224565621741 1.3905834 184 Sample_09_pos.mzML 13147.427 0 210.1097363228984 1.3884922 187 Sample_09_pos.mzML 0.0 0 283.1220435150896 1.3583255 190 Sample_09_pos.mzML 42497.996 0 195.11287983767883 1.3899492 191 Sample_09_pos.mzML 65810.086 0 249.13438273444345 1.4200606 192 Sample_09_pos.mzML 44488.836 0 105.06971063859694 1.4354923 193 Sample_09_pos.mzML 73839.39 0 393.28554314722027 1.3910813 195 Sample_09_pos.mzML 69028.96 0 124.08674995537856 1.3871161 196 Sample_09_pos.mzML 17165.48 0 393.28567548041735 1.4236475 197 Sample_09_pos.mzML 30892.844 0 151.09631717250656 1.4888855 198 Sample_09_pos.mzML 16106.184 0 348.14383698933153 1.4761354 199 Sample_09_pos.mzML 24179.16 0 375.0811540275393 1.489473 201 Sample_09_pos.mzML 8218.251 0 353.0992471828444 1.4867625 202 Sample_09_pos.mzML 0.0 0 337.03648815326005 1.5395262 203 Sample_09_pos.mzML 0.0 0 321.06256590229526 1.5395222 204 Sample_09_pos.mzML 56641.676 0 298.0966397086858 1.6940964 205 Sample_09_pos.mzML 124130.695 0 190.08951118437503 1.7135324 206 Sample_09_pos.mzML 17649.424 0 144.98195244122175 1.9972055 207 Sample_09_pos.mzML 80677.086 0 190.0894178152409 1.9916908 208 Sample_09_pos.mzML 20743.947 0 146.08097871921322 1.9896737 209 Sample_09_pos.mzML 372476.22 0 267.1449176772506 1.9950703 210 Sample_09_pos.mzML 131307.17 0 152.07041948711262 2.0314512 211 Sample_09_pos.mzML 2744471.8 0 170.08106776554337 2.0327005 212 Sample_09_pos.mzML 222369.89 0 171.08430196994564 2.037283 213 Sample_09_pos.mzML 48345.402 0 331.2046255896961 2.049584 214 Sample_09_pos.mzML 38952.688 0 212.10276003144267 2.2255604 215 Sample_09_pos.mzML 315797.7 0 176.07386576343754 2.2393477 216 Sample_09_pos.mzML 7146.0684 0 395.1961437435049 2.25555 217 Sample_09_pos.mzML 31669.783 0 171.07623002808543 2.4603689 218 Sample_09_pos.mzML 373304.34 0 136.06166758377617 2.4618294 219 Sample_09_pos.mzML 46955.35 0 162.99758522735817 2.464494 220 Sample_09_pos.mzML 87147.34 0 176.07378886026444 2.466533 221 Sample_09_pos.mzML 110071.33 0 212.1027452521681 2.4712422 222 Sample_09_pos.mzML 66177.69 0 234.0846850483877 2.4712543 224 Sample_09_pos.mzML 111004.83 0 251.1500001009124 2.490054 225 Sample_09_pos.mzML 176481.2 0 170.08096549677393 2.497286 227 Sample_09_pos.mzML 161733.8 0 242.09971739527816 2.5311325 228 Sample_09_pos.mzML 400724.94 0 220.11781080236509 2.5324228 229 Sample_09_pos.mzML 32890.414 0 221.1210520053073 2.5324228 231 Sample_09_pos.mzML 548313.25 0 137.04566565562763 2.61302 232 Sample_09_pos.mzML 226804.25 0 167.09253949646646 2.6150174 233 Sample_09_pos.mzML 540598.9 0 159.02756167849526 2.6262987 234 Sample_09_pos.mzML 271148.66 0 175.00145180579432 2.6233456 235 Sample_09_pos.mzML 44668.49 0 83.06022538821384 2.6915092 236 Sample_09_pos.mzML 342845.4 0 159.02754096432605 2.6711876 238 Sample_09_pos.mzML 1047948.44 0 269.1074820276356 2.733594 239 Sample_09_pos.mzML 120782.95 0 136.06159150189967 2.7327607 240 Sample_09_pos.mzML 10152523.0 0 268.103853951424 2.735583 241 Sample_09_pos.mzML 35488.754 0 124.0867204867036 2.7465951 242 Sample_09_pos.mzML 65232.816 0 206.04549179878435 2.7396824 246 Sample_09_pos.mzML 105705.766 0 169.05813466701616 2.7622888 247 Sample_09_pos.mzML 20457.924 0 147.07620312825443 2.7634428 249 Sample_09_pos.mzML 94189.12 0 251.14995309511343 2.8096216 250 Sample_09_pos.mzML 53226.496 0 124.08672952186082 2.7857726 251 Sample_09_pos.mzML 74341.875 0 166.07212983034697 2.8522704 252 Sample_09_pos.mzML 43697.047 0 86.09628372212455 2.8936963 253 Sample_09_pos.mzML 328690.72 0 162.0582063782167 2.922553 254 Sample_09_pos.mzML 40765.47 0 158.08114129553522 3.0417824 255 Sample_09_pos.mzML 50102.254 0 124.03925425687731 3.3331635 256 Sample_09_pos.mzML 26406.832 0 131.11768354659372 3.5462894 259 Sample_09_pos.mzML 17958.152 0 147.03008748928804 3.6102345 265 Sample_09_pos.mzML 44361.46 0 237.1342771902892 3.554259 268 Sample_09_pos.mzML 3244411.0 0 104.10690922607166 3.615613 270 Sample_09_pos.mzML 166180.2 0 105.1101628079843 3.5773337 276 Sample_09_pos.mzML 38210.754 0 356.99219855042145 3.6094525 277 Sample_09_pos.mzML 455270.25 0 257.10061043785606 3.6021051 278 Sample_09_pos.mzML 1278184.4 0 235.11878342337727 3.6104362 279 Sample_09_pos.mzML 2984271.8 0 104.10691140742011 3.6254394 281 Sample_09_pos.mzML 1182135.0 0 146.02691561369866 3.617239 282 Sample_09_pos.mzML 461871.03 0 189.99069726862683 3.6186962 284 Sample_09_pos.mzML 2607836.5 0 104.10691151684348 3.6318386 285 Sample_09_pos.mzML 122161.76 0 105.11016638499711 3.6433537 286 Sample_09_pos.mzML 361953.6 0 270.1921498403816 3.6826499 289 Sample_09_pos.mzML 95830.13 0 307.0436219791634 3.8853528 297 Sample_09_pos.mzML 207622.75 0 291.0697298907951 3.9010928 298 Sample_09_pos.mzML 186253.55 0 257.1006228106187 3.904753 299 Sample_09_pos.mzML 111107.3 0 270.1921248236023 3.9918861 305 Sample_09_pos.mzML 991243.4 0 235.11874356344256 3.9848194 307 Sample_09_pos.mzML 340137.9 0 146.02687268396707 3.9806588 308 Sample_09_pos.mzML 188503.4 0 314.09137691435643 3.989151 310 Sample_09_pos.mzML 89064.33 0 269.0877500718245 3.9971244 311 Sample_09_pos.mzML 285186.03 0 270.1921288646996 3.9987442 313 Sample_09_pos.mzML 109458.44 0 137.04561392556303 4.0023994 314 Sample_09_pos.mzML 116321.38 0 268.1037209235785 4.003829 315 Sample_09_pos.mzML 56197.16 0 163.05335215225128 4.0424848 317 Sample_09_pos.mzML 1268858.1 0 152.05653168599866 4.009559 321 Sample_09_pos.mzML 2054415.9 0 148.04256672639687 4.012652 324 Sample_09_pos.mzML 101860.7 0 213.08672615987487 4.018884 334 Sample_09_pos.mzML 202535.66 0 245.18571573726572 4.136272 345 Sample_09_pos.mzML 319317.53 0 134.11737910350053 4.1628757 348 Sample_09_pos.mzML 154670.56 0 163.0533777453292 4.1968255 349 Sample_09_pos.mzML 0.0 0 137.04558546014155 4.19949 352 Sample_09_pos.mzML 34030.2 0 268.1037602942401 4.2119775 353 Sample_09_pos.mzML 73447.51 0 229.118040650464 4.229315 354 Sample_09_pos.mzML 128560.46 0 245.18574102113112 4.2097106 356 Sample_09_pos.mzML 51469.758 0 200.10278438614216 4.2574863 357 Sample_09_pos.mzML 18388.625 0 268.1037589105309 4.217879 358 Sample_09_pos.mzML 25116.17 0 270.1922424181455 4.279421 359 Sample_09_pos.mzML 0.0 0 189.99075931378115 4.327314 360 Sample_09_pos.mzML 126580.93 0 134.11743645494067 4.2845025 361 Sample_09_pos.mzML 0.0 0 242.18611577228643 4.3433714 362 Sample_09_pos.mzML 22857.996 0 304.1765208263302 4.7402077 363 Sample_09_pos.mzML 0.0 0 172.13294299742864 4.7589955 364 Sample_09_pos.mzML 0.0 0 189.9905913432856 4.772744 367 Sample_09_pos.mzML 336717.03 0 159.09139985691644 4.8108883 371 Sample_09_pos.mzML 1255216.8 0 120.08061352243423 4.8438725 372 Sample_09_pos.mzML 867817.06 0 167.08935800092092 4.845658 373 Sample_09_pos.mzML 971345.1 0 266.07438437754746 4.819725 375 Sample_09_pos.mzML 506675.6 0 249.0607079423268 4.8210406 378 Sample_09_pos.mzML 2446726.2 0 205.09695945152035 4.8233333 380 Sample_09_pos.mzML 1912580.4 0 188.07038343865275 4.8246927 384 Sample_09_pos.mzML 1533176.0 0 188.07038967593124 4.8265615 385 Sample_09_pos.mzML 899798.3 0 266.07438495902727 4.8215938 390 Sample_09_pos.mzML 13158746.0 0 166.08609631348253 4.846532 391 Sample_09_pos.mzML 96080.266 0 146.02679892343698 4.84755 392 Sample_09_pos.mzML 1826777.0 0 120.08061021815044 4.850492 393 Sample_09_pos.mzML 2831787.2 0 176.11331845539647 4.850525 405 Sample_09_pos.mzML 24408.182 0 124.08671779184456 4.861618 406 Sample_09_pos.mzML 281251.0 0 242.18597353886392 4.893828 414 Sample_09_pos.mzML 905220.1 0 167.0893640074416 4.8583703 415 Sample_09_pos.mzML 1104776.6 0 188.070370874549 4.853523 432 Sample_09_pos.mzML 7849752.0 0 132.10181358254428 5.070786 439 Sample_09_pos.mzML 2077565.5 0 134.10843493246685 5.0749183 440 Sample_09_pos.mzML 38498270.0 0 133.10514633013727 5.075796 441 Sample_09_pos.mzML 11314760.0 0 132.10180873486888 5.0757966 442 Sample_09_pos.mzML 941871.9 0 254.16086399050823 5.076235 444 Sample_09_pos.mzML 8021792.5 0 86.09634855868607 5.0771127 460 Sample_09_pos.mzML 889420.4 0 231.1700284982437 5.157729 462 Sample_09_pos.mzML 6458256.5 0 86.09635085819752 5.0803976 464 Sample_09_pos.mzML 9085948.0 0 132.1018131478376 5.079959 465 Sample_09_pos.mzML 30838372.0 0 133.10514770247934 5.0799584 466 Sample_09_pos.mzML 1672641.9 0 134.10843686992123 5.079081 471 Sample_09_pos.mzML 911217.7 0 231.17003514728088 5.1624675 472 Sample_09_pos.mzML 499949.28 0 177.068867688938 5.0954223 476 Sample_09_pos.mzML 22600.648 0 146.02680791872297 5.2020907 482 Sample_09_pos.mzML 396063.22 0 170.06097130330835 5.208097 485 Sample_09_pos.mzML 320266.8 0 322.054438749271 5.261234 486 Sample_09_pos.mzML 783703.94 0 306.0806507387645 5.269045 487 Sample_09_pos.mzML 368133.53 0 284.09869474213104 5.2824006 490 Sample_09_pos.mzML 949817.1 0 254.1609829416835 5.2925267 498 Sample_09_pos.mzML 130168.67 0 228.1703774765928 5.428404 499 Sample_09_pos.mzML 803920.6 0 254.16093846752423 5.4288635 500 Sample_09_pos.mzML 173993.14 0 176.06557454370355 5.4312606 501 Sample_09_pos.mzML 1129462.5 0 86.09634303157317 5.453327 502 Sample_09_pos.mzML 4942505.0 0 132.10179944532445 5.452833 505 Sample_09_pos.mzML 1300582.6 0 133.10515142846097 5.4484563 506 Sample_09_pos.mzML 5543252.0 0 132.10179448037488 5.4554677 507 Sample_09_pos.mzML 1260369.6 0 86.09633268244676 5.4559617 508 Sample_09_pos.mzML 88291.83 0 192.0394553458964 5.4579144 510 Sample_09_pos.mzML 803920.6 0 254.160928157678 5.431993 518 Sample_09_pos.mzML 376605.84 0 208.01345244401543 5.4915414 529 Sample_09_pos.mzML 918527.6 0 122.9244093086683 5.570595 530 Sample_09_pos.mzML 338808.78 0 458.7694151411931 5.5711894 532 Sample_09_pos.mzML 582755.4 0 206.88568577248728 5.572176 534 Sample_09_pos.mzML 370396.3 0 542.7307149004203 5.5728345 537 Sample_09_pos.mzML 1185980.8 0 290.8469756666516 5.574323 539 Sample_09_pos.mzML 338546.3 0 292.84486404160776 5.57543 546 Sample_09_pos.mzML 38409430.0 0 118.086136282161 5.6935368 547 Sample_09_pos.mzML 2030566.5 0 119.08943078666724 5.6957307 549 Sample_09_pos.mzML 478433.9 0 158.03999253356488 5.6885877 558 Sample_09_pos.mzML 42928972.0 0 118.08614084735753 5.695406 559 Sample_09_pos.mzML 6344869.5 0 156.0419594783285 5.700437 561 Sample_09_pos.mzML 581183.0 0 133.10503503876865 5.7478676 563 Sample_09_pos.mzML 2266077.0 0 119.08942925468972 5.6976 564 Sample_09_pos.mzML 2672122.0 0 235.1649571996301 5.6980495 573 Sample_09_pos.mzML 6696782.5 0 273.1208172600843 5.7226243 586 Sample_09_pos.mzML 1209729.6 0 150.0580937823089 5.736668 587 Sample_09_pos.mzML 2029865.9 0 257.14684101952525 5.737107 591 Sample_09_pos.mzML 641286.5 0 163.05338891159045 5.738424 603 Sample_09_pos.mzML 1219491.9 0 107.0714836044441 5.7414956 604 Sample_09_pos.mzML 2498472.2 0 136.05042953346918 5.741495 606 Sample_09_pos.mzML 20344144.0 0 153.07702607515895 5.742373 609 Sample_09_pos.mzML 199993.84 0 201.00917974363804 5.743689 617 Sample_09_pos.mzML 2394217.0 0 156.04195771190652 5.7104034 621 Sample_09_pos.mzML 4537472.5 0 273.12082086293464 5.7262015 622 Sample_09_pos.mzML 107220.375 0 132.10170818206214 5.7288346 628 Sample_09_pos.mzML 501027.7 0 133.10504212972964 5.765699 640 Sample_09_pos.mzML 519210.72 0 217.15447541961305 5.817688 659 Sample_09_pos.mzML 232851.69 0 203.13879992661973 5.825148 660 Sample_09_pos.mzML 704989.2 0 215.13885933944832 5.825148 674 Sample_09_pos.mzML 235502.88 0 138.0547721930798 5.8345313 678 Sample_09_pos.mzML 145377.66 0 227.15804343513688 5.843843 679 Sample_09_pos.mzML 1271779.2 0 226.1548276939271 5.84388 683 Sample_09_pos.mzML 1123872.2 0 118.08618244730933 5.818649 685 Sample_09_pos.mzML 197408.9 0 197.040867463821 5.8871245 686 Sample_09_pos.mzML 146412.17 0 320.17136170937744 5.910408 687 Sample_09_pos.mzML 864000.6 0 115.08651467149711 5.9351325 688 Sample_09_pos.mzML 249963.78 0 137.06841851907743 5.936834 690 Sample_09_pos.mzML 0.0 0 265.11149031603264 5.9485784 691 Sample_09_pos.mzML 114940.83 0 228.14534892007973 6.0084243 693 Sample_09_pos.mzML 294540.84 0 226.1548933204581 6.043236 695 Sample_09_pos.mzML 619217.2 0 228.1454157073448 6.1668887 698 Sample_09_pos.mzML 1163675.9 0 118.08615791324712 6.2560725 699 Sample_09_pos.mzML 243108.0 0 132.10171546003687 6.300898 700 Sample_09_pos.mzML 324917.34 0 133.10509747646654 6.288588 701 Sample_09_pos.mzML 343595.62 0 153.07699495948592 6.2302094 708 Sample_09_pos.mzML 345950.78 0 298.02467259368444 6.2890944 710 Sample_09_pos.mzML 984227.8 0 162.0499397667938 6.361732 711 Sample_09_pos.mzML 1675662.0 0 118.08612947184405 6.2692437 713 Sample_09_pos.mzML 2616691.5 0 90.976550099308 6.411321 717 Sample_09_pos.mzML 190378.33 0 133.10506197129337 6.3418784 723 Sample_09_pos.mzML 73313.48 0 132.10170322970416 6.3238697 729 Sample_09_pos.mzML 5224327.5 0 430.9133167798752 6.445311 730 Sample_09_pos.mzML 3484137.2 0 498.9006283059093 6.4422398 733 Sample_09_pos.mzML 2708771.5 0 566.887996552571 6.4444346 742 Sample_09_pos.mzML 621334.9 0 162.049928906656 6.3924384 743 Sample_09_pos.mzML 3018133.0 0 566.8879974709893 6.465941 744 Sample_09_pos.mzML 163145.19 0 298.0246176631577 6.392486 746 Sample_09_pos.mzML 5227114.0 0 90.9765516798645 6.4571624 752 Sample_09_pos.mzML 6053342.0 0 362.925952839678 6.459356 753 Sample_09_pos.mzML 6210399.5 0 430.91332032039486 6.4764752 754 Sample_09_pos.mzML 4138266.8 0 498.9006293329196 6.464187 760 Sample_09_pos.mzML 5956560.0 0 430.9133173583412 6.47867 763 Sample_09_pos.mzML 7909643.0 0 362.9259521619515 6.46155 768 Sample_09_pos.mzML 5554798.5 0 498.9006350513378 6.4663815 772 Sample_09_pos.mzML 4244202.5 0 566.8880079908274 6.4703307 774 Sample_09_pos.mzML 36130584.0 0 226.95130605314407 6.4734025 776 Sample_09_pos.mzML 5209178.5 0 158.96391743043827 6.475264 777 Sample_09_pos.mzML 3483335.0 0 90.97655184812557 6.4699974 783 Sample_09_pos.mzML 8221284.0 0 430.913321997725 6.485361 797 Sample_09_pos.mzML 2532778.8 0 498.9006368424921 6.481851 798 Sample_09_pos.mzML 1941081.1 0 566.8880087807638 6.490188 801 Sample_09_pos.mzML 1333331.0 0 116.07045588148864 6.535134 806 Sample_09_pos.mzML 1752320.4 0 90.97654696859416 6.497805 807 Sample_09_pos.mzML 126577.22 0 133.1050813977587 6.57356 820 Sample_09_pos.mzML 71144.81 0 258.15586908713766 6.8444924 821 Sample_09_pos.mzML 251559.9 0 301.96555337204217 6.8449597 822 Sample_09_pos.mzML 351932.72 0 214.12973993847905 6.8736024 826 Sample_09_pos.mzML 93667.81 0 376.979765282261 6.890302 833 Sample_09_pos.mzML 69155.64 0 308.9923908286443 6.898309 835 Sample_09_pos.mzML 23079.441 0 173.09190815945408 6.8987 836 Sample_09_pos.mzML 503221.53 0 165.99085411729348 6.9019084 837 Sample_09_pos.mzML 1703.6418 0 451.9939689509807 6.901796 842 Sample_09_pos.mzML 86395.21 0 122.02695576262852 6.907451 845 Sample_09_pos.mzML 0.0 0 241.0309804045192 6.929818 848 Sample_09_pos.mzML 142796.95 0 118.08612324531742 6.906456 850 Sample_09_pos.mzML 86395.21 0 122.02695713603926 6.910003 853 Sample_09_pos.mzML 92828.87 0 208.1806931005108 6.967325 857 Sample_09_pos.mzML 451140.4 0 226.95139637449867 7.056883 858 Sample_09_pos.mzML 235389.06 0 258.156014085099 7.159303 859 Sample_09_pos.mzML 76389.83 0 104.07052981519426 7.1661315 860 Sample_09_pos.mzML 184461.58 0 226.9514186720039 7.1463103 861 Sample_09_pos.mzML 71671.766 0 245.9476010251665 7.220245 862 Sample_09_pos.mzML 79190.8 0 201.9837410781343 7.2195973 863 Sample_09_pos.mzML 48942.73 0 267.92949707305337 7.2172837 864 Sample_09_pos.mzML 106277.914 0 90.05496978874557 7.6612244 865 Sample_09_pos.mzML 40519.36 0 244.140503738826 7.6647267 866 Sample_09_pos.mzML 16861.39 0 230.14997669311865 7.6839995 867 Sample_09_pos.mzML 33074.184 0 134.01883779940704 7.6638207 868 Sample_09_pos.mzML 14765.538 0 328.0301594961641 7.9222236 869 Sample_09_pos.mzML 33566.24 0 306.048316086854 7.914533 870 Sample_09_pos.mzML 38983.133 0 285.1667082325685 7.933275 871 Sample_09_pos.mzML 32990.17 0 387.2709948049544 7.9394317 872 Sample_09_pos.mzML 49873.25 0 187.10747655608205 7.93947 877 Sample_09_pos.mzML 144655.95 0 197.0894356361632 7.961445 879 Sample_09_pos.mzML 560801.1 0 269.16060472372754 7.962421 880 Sample_09_pos.mzML 158042.11 0 346.05434588118914 7.9639306 881 Sample_09_pos.mzML 293863.03 0 271.1510202898235 7.9642925 890 Sample_09_pos.mzML 129242.37 0 129.06566925010313 7.9716926 891 Sample_09_pos.mzML 988385.56 0 120.06545039741656 7.972265 894 Sample_09_pos.mzML 356823.56 0 164.02922326766455 7.9790225 895 Sample_09_pos.mzML 159587.84 0 133.10507612878197 7.9839897 896 Sample_09_pos.mzML 54295.19 0 153.07696300828565 7.981729 899 Sample_09_pos.mzML 129242.37 0 129.06566954676447 7.973686 901 Sample_09_pos.mzML 661575.25 0 233.10652019611663 7.9997315 904 Sample_09_pos.mzML 200318.25 0 217.12933749214804 8.017409 909 Sample_09_pos.mzML 27984.61 0 205.11810687589983 8.066115 910 Sample_09_pos.mzML 64651.49 0 176.09158435507644 8.110695 911 Sample_09_pos.mzML 54254.34 0 120.06538793621888 8.095319 912 Sample_09_pos.mzML 171501.3 0 216.13414402314515 8.137809 913 Sample_09_pos.mzML 51185.97 0 254.110947332547 8.13853 918 Sample_09_pos.mzML 36634.875 0 142.09734305994664 8.155034 919 Sample_09_pos.mzML 51190.25 0 247.12867941295664 8.191632 920 Sample_09_pos.mzML 53144.484 0 203.11372007085788 8.203923 921 Sample_09_pos.mzML 29120.914 0 246.1446736791892 8.23056 922 Sample_09_pos.mzML 101683.836 0 261.1443564364716 8.234616 923 Sample_09_pos.mzML 23504.17 0 283.12626085214976 8.235302 924 Sample_09_pos.mzML 89122.08 0 269.16066025719937 8.241423 925 Sample_09_pos.mzML 17730.334 0 226.9513300667016 8.252555 926 Sample_09_pos.mzML 0.0 0 118.0861033091863 8.375219 927 Sample_09_pos.mzML 0.0 0 244.0942511712273 8.360445 928 Sample_09_pos.mzML 10236.886 0 201.1788423536045 8.363343 929 Sample_09_pos.mzML 191206.55 0 200.1756825779179 8.360786 930 Sample_09_pos.mzML 17910.465 0 226.9513188023629 8.36787 931 Sample_09_pos.mzML 8177.0005 0 217.1181167414713 8.373118 932 Sample_09_pos.mzML 21994.855 0 265.12695885890884 8.393177 933 Sample_09_pos.mzML 17911.955 0 365.105201429741 8.39588 934 Sample_09_pos.mzML 5663.6055 0 157.16978702908858 8.416748 935 Sample_09_pos.mzML 6705.876 0 205.11817679551444 8.449443 936 Sample_09_pos.mzML 38157.457 0 166.0531984049978 8.511632 937 Sample_09_pos.mzML 0.0 0 210.01689084731828 8.517229 938 Sample_09_pos.mzML 48171.17 0 574.1288443930529 8.598261 939 Sample_09_pos.mzML 87108.89 0 188.03499184859004 8.604352 940 Sample_09_pos.mzML 32347.064 0 166.05302736240878 8.598813 941 Sample_09_pos.mzML 0.0 0 147.07628217729822 8.606629 942 Sample_09_pos.mzML 0.0 0 169.0581892689462 8.606629 944 Sample_09_pos.mzML 104094.91 0 175.10751430696803 8.61571 945 Sample_09_pos.mzML 143440.06 0 258.14458594133026 8.616849 949 Sample_09_pos.mzML 555698.0 0 106.0497993519311 8.619147 951 Sample_09_pos.mzML 61878.152 0 227.09996497608665 8.619727 953 Sample_09_pos.mzML 81839.45 0 365.1050858603464 8.622464 954 Sample_09_pos.mzML 77430.805 0 277.03801398466214 8.624969 957 Sample_09_pos.mzML 389791.06 0 230.1133787668119 8.627342 958 Sample_09_pos.mzML 113556.88 0 150.01357254868546 8.627431 964 Sample_09_pos.mzML 119378.73 0 268.12651808851587 8.64582 965 Sample_09_pos.mzML 65805.305 0 246.14460651871127 8.647682 966 Sample_09_pos.mzML 43964.664 0 118.0860713755489 8.666564 970 Sample_09_pos.mzML 108034.445 0 331.0597083994683 8.728163 971 Sample_09_pos.mzML 329610.5 0 177.02446857919654 8.73112 974 Sample_09_pos.mzML 429419.66 0 155.04258957375788 8.740393 975 Sample_09_pos.mzML 372733.97 0 230.1133464625389 8.74039 979 Sample_09_pos.mzML 830990.06 0 133.0606595880094 8.745018 980 Sample_09_pos.mzML 172255.22 0 286.15069933735964 8.763644 982 Sample_09_pos.mzML 192884.56 0 247.12860338588263 8.766978 988 Sample_09_pos.mzML 87758.055 0 361.1977693027184 8.791953 994 Sample_09_pos.mzML 713302.75 0 296.0656615542094 8.852614 995 Sample_09_pos.mzML 2820373.5 0 280.0918526920189 8.8539295 998 Sample_09_pos.mzML 1075063.4 0 537.1943231163153 8.85701 999 Sample_09_pos.mzML 804575.2 0 259.11326523868405 8.8587675 1003 Sample_09_pos.mzML 9521293.0 0 258.1099364516471 8.860084 1009 Sample_09_pos.mzML 61893.387 0 153.07693685054173 8.865781 1016 Sample_09_pos.mzML 278377.66 0 322.1869685406384 8.8856325 1019 Sample_09_pos.mzML 347966.25 0 348.0696595688975 8.905177 1020 Sample_09_pos.mzML 128911.44 0 156.14936280240056 8.929667 1023 Sample_09_pos.mzML 178764.11 0 255.14499651185736 8.961529 1026 Sample_09_pos.mzML 119056.914 0 198.0847628014792 8.995751 1027 Sample_09_pos.mzML 62716.56 0 176.1027959719887 8.99959 1029 Sample_09_pos.mzML 809384.7 0 288.2028931457914 9.03741 1030 Sample_09_pos.mzML 92495.7 0 289.2065919245926 9.038054 1031 Sample_09_pos.mzML 75391.7 0 168.076587656824 9.039931 1033 Sample_09_pos.mzML 145483.25 0 229.12936404392448 9.058728 1034 Sample_09_pos.mzML 71906.8 0 251.11128458048435 9.060653 1036 Sample_09_pos.mzML 131602.52 0 294.18102755142905 9.065932 1039 Sample_09_pos.mzML 34548.11 0 258.1447309396798 9.109013 1040 Sample_09_pos.mzML 0.0 0 365.1052316626935 9.099115 1043 Sample_09_pos.mzML 30171.273 0 258.14458259952363 9.161549 1045 Sample_09_pos.mzML 70132.42 0 216.0629531114795 9.191652 1048 Sample_09_pos.mzML 56631.57 0 238.04483266653563 9.194025 1051 Sample_09_pos.mzML 253721.84 0 269.1604872451791 9.198629 1053 Sample_09_pos.mzML 1721572.2 0 260.19665861930304 9.201791 1054 Sample_09_pos.mzML 216167.16 0 261.20006499413546 9.202691 1067 Sample_09_pos.mzML 296031.4 0 149.06356867672196 9.225198 1069 Sample_09_pos.mzML 787266.5 0 130.04972503456412 9.2256365 1071 Sample_09_pos.mzML 5474450.5 0 148.06031941955982 9.226085 1079 Sample_09_pos.mzML 2213254.5 0 288.2028125859761 9.241891 1085 Sample_09_pos.mzML 235563.62 0 221.112942320711 9.250683 1096 Sample_09_pos.mzML 219040.53 0 366.10847337323975 9.300052 1099 Sample_09_pos.mzML 1718031.6 0 365.1051586729516 9.302187 1100 Sample_09_pos.mzML 79520.12 0 118.08606206806408 9.277427 1102 Sample_09_pos.mzML 133230.64 0 360.149656817636 9.311521 1107 Sample_09_pos.mzML 142637.33 0 359.26492669564453 9.318966 1111 Sample_09_pos.mzML 694320.25 0 260.1967063364553 9.344571 1112 Sample_09_pos.mzML 85370.625 0 261.2001203040639 9.346213 1113 Sample_09_pos.mzML 57215.773 0 433.0925277310742 9.346755 1118 Sample_09_pos.mzML 134871.33 0 345.22421788168214 9.386636 1121 Sample_09_pos.mzML 473300.94 0 203.1501620783906 9.454228 1122 Sample_09_pos.mzML 67443.56 0 188.1755993548724 9.460129 1124 Sample_09_pos.mzML 138140.14 0 294.16712720772256 9.486702 1125 Sample_09_pos.mzML 77365.75 0 335.0339660433254 9.493368 1126 Sample_09_pos.mzML 156739.61 0 313.0520546222224 9.502534 1127 Sample_09_pos.mzML 98445.36 0 289.206630553843 9.5099125 1128 Sample_09_pos.mzML 806134.0 0 288.2029258528593 9.509217 1131 Sample_09_pos.mzML 156913.5 0 218.18619761371053 9.525903 1132 Sample_09_pos.mzML 94672.84 0 306.06162796412696 9.547405 1133 Sample_09_pos.mzML 43804.477 0 188.17558642399584 9.518045 1134 Sample_09_pos.mzML 68811.75 0 260.1967002040386 9.570424 1135 Sample_09_pos.mzML 22227.043 0 306.1592562972893 9.571097 1136 Sample_09_pos.mzML 723302.2 0 284.0796833657358 9.646189 1137 Sample_09_pos.mzML 77800.47 0 324.0588200527568 9.649519 1138 Sample_09_pos.mzML 82501.69 0 219.09737415252712 9.655475 1139 Sample_09_pos.mzML 145920.73 0 148.0602834766663 9.6562 1141 Sample_09_pos.mzML 68568.51 0 154.01670024274702 9.662093 1143 Sample_09_pos.mzML 0.0 0 195.04322321426469 9.665049 1144 Sample_09_pos.mzML 259741.55 0 290.1344649431372 9.675607 1145 Sample_09_pos.mzML 85342.19 0 283.04150739594115 9.690609 1149 Sample_09_pos.mzML 111426.17 0 207.0973923543056 9.729797 1150 Sample_09_pos.mzML 16239.645 0 308.09087390128616 9.73265 1151 Sample_09_pos.mzML 42045.24 0 613.1510753489329 9.735156 1155 Sample_09_pos.mzML 43461.906 0 317.2180748441611 9.774086 1157 Sample_09_pos.mzML 318478.22 0 260.1966837829511 9.806193 1159 Sample_09_pos.mzML 78792.28 0 345.2493190320606 9.83373 1163 Sample_09_pos.mzML 139872.89 0 282.1180701017672 9.848723 1164 Sample_09_pos.mzML 197694.89 0 219.0973471625064 9.852621 1165 Sample_09_pos.mzML 145541.0 0 248.12386819185812 9.854269 1167 Sample_09_pos.mzML 269419.4 0 262.90666776551785 9.858233 1168 Sample_09_pos.mzML 170521.69 0 284.0795670488393 9.863204 1171 Sample_09_pos.mzML 1097781.9 0 134.04468296663256 9.863805 1172 Sample_09_pos.mzML 174803.98 0 142.94789363209495 9.862807 1174 Sample_09_pos.mzML 171010.14 0 249.107884486856 9.871725 1175 Sample_09_pos.mzML 786422.0 0 274.18716937581314 9.873346 1181 Sample_09_pos.mzML 195833.67 0 338.1819343706756 9.884996 1185 Sample_09_pos.mzML 184780.33 0 175.14390259797082 9.938897 1187 Sample_09_pos.mzML 6821078.5 0 156.07665515382126 9.965302 1188 Sample_09_pos.mzML 201158.05 0 178.05845818353518 9.965835 1189 Sample_09_pos.mzML 374610.53 0 110.07110800895867 9.96585 1192 Sample_09_pos.mzML 449113.25 0 157.07990648632463 9.970797 1195 Sample_09_pos.mzML 290306.06 0 246.1809879902873 9.996257 1201 Sample_09_pos.mzML 110211.625 0 299.0363071280015 10.030114 1205 Sample_09_pos.mzML 138415.03 0 310.17584025335856 10.059572 1206 Sample_09_pos.mzML 99159.016 0 190.1628070441479 10.089722 1207 Sample_09_pos.mzML 1149207.9 0 189.15962556992508 10.091929 1208 Sample_09_pos.mzML 112828.98 0 275.1908113067463 10.101804 1209 Sample_09_pos.mzML 1103288.1 0 274.18718518067203 10.102931 1211 Sample_09_pos.mzML 594651.94 0 364.0649234803579 10.105504 1216 Sample_09_pos.mzML 520349.1 0 227.11370840600603 10.148948 1219 Sample_09_pos.mzML 20939.252 0 195.0254494451458 10.179174 1220 Sample_09_pos.mzML 225439.67 0 323.0839267608916 10.180491 1224 Sample_09_pos.mzML 211355.31 0 237.05378657328663 10.185353 1229 Sample_09_pos.mzML 117606.81 0 259.12865594655494 10.204153 1234 Sample_09_pos.mzML 35406.547 0 235.09230901827425 10.252195 1239 Sample_09_pos.mzML 152991.06 0 472.2874612980231 10.308299 1242 Sample_09_pos.mzML 17052702.0 0 175.11882033505466 10.356683 1243 Sample_09_pos.mzML 580190.2 0 349.23023603947246 10.357158 1244 Sample_09_pos.mzML 214185.39 0 371.2121607007718 10.357639 1246 Sample_09_pos.mzML 1088978.0 0 176.12211343714353 10.358672 1249 Sample_09_pos.mzML 335734.8 0 197.1006803958095 10.360531 1251 Sample_09_pos.mzML 301906.4 0 130.09729229124068 10.370269 1252 Sample_09_pos.mzML 480712.25 0 246.18095223184145 10.376628 1254 Sample_09_pos.mzML 35456.383 0 364.0649180883176 10.324018 1256 Sample_09_pos.mzML 69967.02 0 272.1714484795354 10.424933 1258 Sample_09_pos.mzML 204064.28 0 257.1242348570159 10.465497 1259 Sample_09_pos.mzML 118397.17 0 285.2030842021909 10.469291 1260 Sample_09_pos.mzML 144525.9 0 156.0765780966775 10.469985 1261 Sample_09_pos.mzML 240458.33 0 442.74712460313145 10.470643 1263 Sample_09_pos.mzML 100188.03 0 347.228682719869 10.512813 1264 Sample_09_pos.mzML 104024.99 0 303.20249423925924 10.522915 1266 Sample_09_pos.mzML 164278.86 0 213.09809375538885 10.5390005 1267 Sample_09_pos.mzML 40794.344 0 589.1399646335841 10.551182 1271 Sample_09_pos.mzML 118225.53 0 156.07656270160743 10.643449 1272 Sample_09_pos.mzML 1164764.2 0 175.11883104950437 10.63616 1276 Sample_09_pos.mzML 418569.3 0 148.11599366591082 10.651277 1278 Sample_09_pos.mzML 181439.75 0 191.07647587262292 10.651727 1279 Sample_09_pos.mzML 1219601.2 0 130.0861855729082 10.652225 1280 Sample_09_pos.mzML 210864.98 0 84.08064494962149 10.652238 1281 Sample_09_pos.mzML 6365272.0 0 147.1127199612054 10.652242 1283 Sample_09_pos.mzML 143402.38 0 169.09453102570544 10.654132 1289 Sample_09_pos.mzML 160409.8 0 244.16534762312872 10.664137 1290 Sample_09_pos.mzML 77095.74 0 257.1969723050618 10.6713915 1293 Sample_09_pos.mzML 832088.3 0 133.09706985780863 10.722098 1295 Sample_09_pos.mzML 358453.22 0 116.07050095631276 10.722583 1296 Sample_09_pos.mzML 84915.02 0 489.2762008111585 10.794624 1298 Sample_09_pos.mzML 294857.6 0 175.11881153058343 10.751388 1310 Sample_09_pos.mzML 984070.0 0 304.03932259922425 10.842536 1317 Sample_09_pos.mzML 1716241.4 0 283.06144442783113 10.857608 1318 Sample_09_pos.mzML 903142.75 0 563.1074885117305 10.858048 1320 Sample_09_pos.mzML 21428644.0 0 282.05750541230793 10.858509 1321 Sample_09_pos.mzML 1848314.0 0 284.0531507149704 10.858556 1324 Sample_09_pos.mzML 559458.7 0 163.05334706421047 10.861239 1330 Sample_09_pos.mzML 718971.1 0 237.0359682970429 10.877342 1334 Sample_09_pos.mzML 152077.08 0 175.1187171353388 10.861039 1336 Sample_09_pos.mzML 106282.06 0 241.03078940211464 10.946838 1342 Sample_09_pos.mzML 1681177.6 0 246.1559001157775 10.92701 1345 Sample_09_pos.mzML 149981.33 0 247.15931781669644 10.927976 1346 Sample_09_pos.mzML 152288.05 0 243.1085915333856 10.930374 1348 Sample_09_pos.mzML 445946.9 0 163.0534682624983 10.963395 1349 Sample_09_pos.mzML 12403.467 0 241.0308201955841 10.969333 1350 Sample_09_pos.mzML 45235.53 0 158.91554905353604 10.985007 1352 Sample_09_pos.mzML 69979.15 0 284.0795279906775 11.007104 1353 Sample_09_pos.mzML 49895.016 0 285.1191553590796 11.007634 1354 Sample_09_pos.mzML 100304.41 0 218.14977569757968 11.019916 1355 Sample_09_pos.mzML 747611.2 0 276.1666669024399 11.127444 1356 Sample_09_pos.mzML 69458.83 0 277.17032556111366 11.130445 1360 Sample_09_pos.mzML 42299.598 0 270.11951370352017 11.143098 1361 Sample_09_pos.mzML 36078.6 0 477.7683038765202 11.143561 1362 Sample_09_pos.mzML 472388.22 0 218.149918302188 11.197883 1364 Sample_09_pos.mzML 77267.04 0 175.11883005279304 11.212697 1365 Sample_09_pos.mzML 149899.08 0 248.16044847300984 11.214851 1366 Sample_09_pos.mzML 74853.13 0 241.03097143373472 11.219297 1367 Sample_09_pos.mzML 553071.3 0 232.14043462663736 11.221642 1369 Sample_09_pos.mzML 102508.54 0 282.057543479596 11.168553 1370 Sample_09_pos.mzML 67299.51 0 313.18703563912146 11.3278265 1371 Sample_09_pos.mzML 18009.172 0 248.1605684094749 11.336497 1374 Sample_09_pos.mzML 370053.2 0 277.1390483125494 11.51134 1376 Sample_09_pos.mzML 23767.494 0 278.1423901329732 11.513539 1377 Sample_09_pos.mzML 184742.72 0 282.057449726996 11.514416 1378 Sample_09_pos.mzML 560496.0 0 304.16126122413266 11.517955 1388 Sample_09_pos.mzML 993763.7 0 262.1506913923568 11.531592 1389 Sample_09_pos.mzML 625380.06 0 204.13402659101504 11.532012 1407 Sample_09_pos.mzML 1151979.1 0 276.1550226035785 11.559689 1409 Sample_09_pos.mzML 102132070.0 0 241.03094338850485 11.5610075 1415 Sample_09_pos.mzML 8956769.0 0 243.02678201103345 11.562327 1426 Sample_09_pos.mzML 538205.5 0 303.1772234383022 11.568047 1437 Sample_09_pos.mzML 1094203.6 0 251.166119732511 11.585159 1457 Sample_09_pos.mzML 979283.2 0 275.1710225348117 11.613685 1466 Sample_09_pos.mzML 2409196.8 0 263.0128023889946 11.642216 1469 Sample_09_pos.mzML 439090.8 0 278.98660980913854 11.648937 1471 Sample_09_pos.mzML 357429.75 0 396.2363286809719 11.677346 1473 Sample_09_pos.mzML 1748388.4 0 234.1446648417694 11.690246 1485 Sample_09_pos.mzML 1323773.2 0 261.15555602427605 11.726382 1487 Sample_09_pos.mzML 525191.56 0 289.1616430518823 11.733912 1488 Sample_09_pos.mzML 29800.014 0 182.9849459620996 11.736179 1492 Sample_09_pos.mzML 124309.195 0 304.02686844036094 11.8071165 1499 Sample_09_pos.mzML 190614.73 0 151.03510544906462 11.850545 1503 Sample_09_pos.mzML 194873.92 0 278.9867347050311 11.727371 1509 Sample_09_pos.mzML 309115.6 0 304.0269243781329 11.844499 1510 Sample_09_pos.mzML 691839.1 0 151.03514920449794 11.8673315 1515 Sample_09_pos.mzML 43099.875 0 376.2189013075872 11.939273 1521 Sample_09_pos.mzML 6175.0195 0 473.3444755147893 12.102442 1522 Sample_09_pos.mzML 0.0 0 298.05247964856613 12.136988 1523 Sample_09_pos.mzML 43486.258 0 173.13408485930873 12.497563 1524 Sample_09_pos.mzML 49675.996 0 427.0952727376404 12.633031 1525 Sample_09_pos.mzML 4919.2573 0 182.98494465025965 12.898163 1527 Sample_09_pos.mzML 2447956.5 0 167.01271717741983 12.917134 1528 Sample_09_pos.mzML 682684.56 0 255.94395639690367 12.917243 1530 Sample_09_pos.mzML 274824.47 0 385.9017133531906 12.921013 1531 Sample_09_pos.mzML 371189.56 0 143.99665492800966 12.922867 1533 Sample_09_pos.mzML 1569167.9 0 125.98620278672723 12.925508 1536 Sample_09_pos.mzML 264246.66 0 282.9047940378916 12.953278 1539 Sample_09_pos.mzML 54563.336 0 491.7875226546853 13.435786 1540 Sample_09_pos.mzML 71445.984 0 167.01272908201915 14.068723 1541 Sample_09_pos.mzML 0.0 0 241.03094812769385 14.083734 1542 Sample_09_pos.mzML 1897.5315 0 125.9861272213276 14.077281 1543 Sample_09_pos.mzML 2740.203 0 241.03092328785684 14.2579565 1544 Sample_09_pos.mzML 52999.48 0 125.98610652607104 14.2632475 1545 Sample_09_pos.mzML 454455.6 0 125.9860987016528 14.282119 1546 Sample_09_pos.mzML 898108.9 0 167.01266837053672 14.29509 1547 Sample_09_pos.mzML 8120.42 0 241.03092878208284 14.737781 1548 Sample_09_pos.mzML 2809.059 0 241.03095848676367 15.381517 1549 Sample_09_pos.mzML 2679.427 0 241.03092431621664 15.560758 1550 Sample_09_pos.mzML 305758.75 0 125.98607678073093 19.125986 1551 Sample_09_pos.mzML 72317.79 0 125.986068468798 19.237349 1 Sample_02_pos.mzML 52943.96 0 124.08669564836464 0.884114 2 Sample_02_pos.mzML 0.0 0 709.5135709142155 0.9277029 3 Sample_02_pos.mzML 10255.367 0 708.5102830575064 0.92855316 4 Sample_02_pos.mzML 1141.4458 0 680.4788218943072 0.94213986 5 Sample_02_pos.mzML 4448.5273 0 663.4525341847894 0.94251555 8 Sample_02_pos.mzML 8999.278 0 124.0866635483428 0.9758523 13 Sample_02_pos.mzML 6694.9067 0 338.3410184191165 0.94918865 14 Sample_02_pos.mzML 10865.268 0 228.19530207513023 0.9487448 15 Sample_02_pos.mzML 9055.099 0 431.3836089366016 0.94785005 16 Sample_02_pos.mzML 52616.105 0 171.14883588649835 0.96850353 18 Sample_02_pos.mzML 318860.2 0 392.253772671759 0.95138794 19 Sample_02_pos.mzML 29421.555 0 144.98179283118262 0.9658699 24 Sample_02_pos.mzML 1977572.5 0 394.2890043118055 0.9663088 25 Sample_02_pos.mzML 8614024.0 0 393.2855729410101 0.9663088 27 Sample_02_pos.mzML 489871.22 0 377.2624336443359 0.96850294 34 Sample_02_pos.mzML 2255461.2 0 376.2589851838652 0.9727521 38 Sample_02_pos.mzML 40680.64 0 421.31661595485554 0.9779623 39 Sample_02_pos.mzML 28725.873 0 88.07551193113026 0.97947496 53 Sample_02_pos.mzML 82507.48 0 124.08666138918748 0.993165 56 Sample_02_pos.mzML 489871.22 0 377.2624197988114 0.9718469 59 Sample_02_pos.mzML 55196.73 0 432.2372666227246 1.0112926 62 Sample_02_pos.mzML 928506.2 0 421.3166253437647 0.97587925 63 Sample_02_pos.mzML 41523.293 0 387.179513993051 1.0174752 64 Sample_02_pos.mzML 50234.523 0 404.206042018552 1.0174752 66 Sample_02_pos.mzML 28725.873 0 88.07550968410891 0.9884599 67 Sample_02_pos.mzML 53799.254 0 394.2889108048021 0.9842202 68 Sample_02_pos.mzML 22369.787 0 351.23847785630625 1.0211498 70 Sample_02_pos.mzML 273380.12 0 393.2854598750544 0.9889083 73 Sample_02_pos.mzML 59114.094 0 376.25890207776246 0.99538916 74 Sample_02_pos.mzML 17263.814 0 288.2529471652366 1.0429213 75 Sample_02_pos.mzML 23303.143 0 331.0807619477385 1.0405952 77 Sample_02_pos.mzML 15785.725 0 326.3776187676901 1.0575842 78 Sample_02_pos.mzML 90809.64 0 171.14889188727136 1.0486741 79 Sample_02_pos.mzML 0.0 0 327.3810916038047 1.0591878 80 Sample_02_pos.mzML 10438.929 0 163.13257303241096 1.0823013 81 Sample_02_pos.mzML 273380.12 0 393.2854036509345 1.0183046 83 Sample_02_pos.mzML 72701.86 0 244.1904237605233 1.0973613 84 Sample_02_pos.mzML 69412.41 0 226.1798566023925 1.0981086 85 Sample_02_pos.mzML 31650.178 0 266.17230843797444 1.0986773 86 Sample_02_pos.mzML 4156.958 0 227.1831032067456 1.0987782 87 Sample_02_pos.mzML 8132.34 0 304.29949433328 1.1027321 88 Sample_02_pos.mzML 0.0 0 305.30293167052633 1.1067916 92 Sample_02_pos.mzML 13198.384 0 251.18498943129944 1.1416863 93 Sample_02_pos.mzML 13904.9795 0 124.08670965523844 1.1556855 94 Sample_02_pos.mzML 9328.548 0 216.0559227001227 1.1569017 95 Sample_02_pos.mzML 1570992.2 0 214.04970061718825 1.1580465 97 Sample_02_pos.mzML 195791.92 0 215.0529211514825 1.1586148 98 Sample_02_pos.mzML 6518.1553 0 212.14716102940864 1.1687001 99 Sample_02_pos.mzML 6122.629 0 258.2788169776792 1.167492 100 Sample_02_pos.mzML 73968.09 0 88.07553334535379 1.1669827 101 Sample_02_pos.mzML 15943.524 0 180.10163704706503 1.1693052 102 Sample_02_pos.mzML 0.0 0 259.28220830541363 1.1698533 103 Sample_02_pos.mzML 180945.7 0 211.143882330612 1.1725975 104 Sample_02_pos.mzML 21089.404 0 367.2087928080393 1.1786896 106 Sample_02_pos.mzML 6881.3125 0 164.07039862833477 1.1870936 107 Sample_02_pos.mzML 11432.27 0 245.1281492380409 1.1915327 108 Sample_02_pos.mzML 6706.6045 0 284.13905400436323 1.1924504 110 Sample_02_pos.mzML 34278.86 0 230.2476229409027 1.208052 111 Sample_02_pos.mzML 0.0 0 231.2509189682441 1.2119467 113 Sample_02_pos.mzML 11432.27 0 245.1282150522416 1.2145875 114 Sample_02_pos.mzML 20338.111 0 197.1282601988709 1.232969 115 Sample_02_pos.mzML 2019.7786 0 200.23706200725795 1.2285993 116 Sample_02_pos.mzML 6112.243 0 402.3573877818645 1.2316772 117 Sample_02_pos.mzML 3785.315 0 144.04758008856655 1.2390124 119 Sample_02_pos.mzML 6706.6045 0 284.1390667992057 1.1856359 120 Sample_02_pos.mzML 34454.53 0 110.05986025284652 1.3090072 121 Sample_02_pos.mzML 61784.758 0 156.10173858023458 1.2697691 122 Sample_02_pos.mzML 7006.4253 0 590.2061363974616 1.27046 123 Sample_02_pos.mzML 6217.0674 0 138.09113936072484 1.286875 124 Sample_02_pos.mzML 65365.41 0 96.0442997411288 1.286875 125 Sample_02_pos.mzML 39255.44 0 162.06601688304164 1.2898526 127 Sample_02_pos.mzML 23713.072 0 170.11734099333302 1.2949688 128 Sample_02_pos.mzML 21617.387 0 210.1097480469689 1.3193958 129 Sample_02_pos.mzML 27199.777 0 146.98014902199242 1.2979198 130 Sample_02_pos.mzML 21688.83 0 197.12825593496416 1.2959038 131 Sample_02_pos.mzML 119628.805 0 144.98196187706563 1.3213226 135 Sample_02_pos.mzML 3555.8706 0 169.07576992147565 1.3398076 137 Sample_02_pos.mzML 73264.91 0 246.1519543589688 1.3437899 138 Sample_02_pos.mzML 15258.407 0 195.11265710236808 1.3443106 140 Sample_02_pos.mzML 28836.783 0 154.0860441472675 1.3451465 142 Sample_02_pos.mzML 39600.164 0 110.0598549901638 1.3488079 148 Sample_02_pos.mzML 41980.703 0 243.14891618061824 1.3506924 151 Sample_02_pos.mzML 110929.34 0 126.05477443803215 1.3522042 152 Sample_02_pos.mzML 67313.77 0 100.07552017645202 1.3522406 156 Sample_02_pos.mzML 195901.45 0 283.12204191444454 1.3535328 166 Sample_02_pos.mzML 0.0 0 298.0965493713124 1.3567747 167 Sample_02_pos.mzML 88454.875 0 227.17513409439653 1.3601131 170 Sample_02_pos.mzML 40065.418 0 239.1486489095845 1.3637681 171 Sample_02_pos.mzML 54204.953 0 332.20810646332137 1.3653196 173 Sample_02_pos.mzML 350683.8 0 331.2046411437328 1.3668481 175 Sample_02_pos.mzML 46269.227 0 353.18635058440617 1.3700385 177 Sample_02_pos.mzML 25558.408 0 124.08674078601246 1.378172 178 Sample_02_pos.mzML 622399.6 0 123.05520806435112 1.3835589 181 Sample_02_pos.mzML 40497.797 0 224.07373638627203 1.3882531 182 Sample_02_pos.mzML 78400.44 0 195.1224565621741 1.3905834 184 Sample_02_pos.mzML 20511.615 0 210.1097363228984 1.3884922 187 Sample_02_pos.mzML 42786.22 0 283.1220435150896 1.3583255 190 Sample_02_pos.mzML 15258.407 0 195.11287983767883 1.3899492 191 Sample_02_pos.mzML 0.0 0 249.13438273444345 1.4200606 192 Sample_02_pos.mzML 0.0 0 105.06971063859694 1.4354923 193 Sample_02_pos.mzML 1855.7515 0 393.28554314722027 1.3910813 195 Sample_02_pos.mzML 28505.031 0 124.08674995537856 1.3871161 196 Sample_02_pos.mzML 0.0 0 393.28567548041735 1.4236475 197 Sample_02_pos.mzML 0.0 0 151.09631717250656 1.4888855 198 Sample_02_pos.mzML 6159.8584 0 348.14383698933153 1.4761354 199 Sample_02_pos.mzML 5710.1836 0 375.0811540275393 1.489473 201 Sample_02_pos.mzML 0.0 0 353.0992471828444 1.4867625 202 Sample_02_pos.mzML 0.0 0 337.03648815326005 1.5395262 203 Sample_02_pos.mzML 0.0 0 321.06256590229526 1.5395222 204 Sample_02_pos.mzML 0.0 0 298.0966397086858 1.6940964 205 Sample_02_pos.mzML 43979.535 0 190.08951118437503 1.7135324 206 Sample_02_pos.mzML 0.0 0 144.98195244122175 1.9972055 207 Sample_02_pos.mzML 58124.2 0 190.0894178152409 1.9916908 208 Sample_02_pos.mzML 7344.5938 0 146.08097871921322 1.9896737 209 Sample_02_pos.mzML 17917.621 0 267.1449176772506 1.9950703 210 Sample_02_pos.mzML 48269.652 0 152.07041948711262 2.0314512 211 Sample_02_pos.mzML 1261406.4 0 170.08106776554337 2.0327005 212 Sample_02_pos.mzML 85623.67 0 171.08430196994564 2.037283 213 Sample_02_pos.mzML 11253.822 0 331.2046255896961 2.049584 214 Sample_02_pos.mzML 12390.005 0 212.10276003144267 2.2255604 215 Sample_02_pos.mzML 170012.52 0 176.07386576343754 2.2393477 216 Sample_02_pos.mzML 0.0 0 395.1961437435049 2.25555 217 Sample_02_pos.mzML 6491.1 0 171.07623002808543 2.4603689 218 Sample_02_pos.mzML 0.0 0 136.06166758377617 2.4618294 219 Sample_02_pos.mzML 11643.154 0 162.99758522735817 2.464494 220 Sample_02_pos.mzML 55297.758 0 176.07378886026444 2.466533 221 Sample_02_pos.mzML 42113.13 0 212.1027452521681 2.4712422 222 Sample_02_pos.mzML 9762.169 0 234.0846850483877 2.4712543 224 Sample_02_pos.mzML 30511.656 0 251.1500001009124 2.490054 225 Sample_02_pos.mzML 39009.023 0 170.08096549677393 2.497286 227 Sample_02_pos.mzML 66257.16 0 242.09971739527816 2.5311325 228 Sample_02_pos.mzML 228468.86 0 220.11781080236509 2.5324228 229 Sample_02_pos.mzML 16445.998 0 221.1210520053073 2.5324228 231 Sample_02_pos.mzML 191778.88 0 137.04566565562763 2.61302 232 Sample_02_pos.mzML 104890.57 0 167.09253949646646 2.6150174 233 Sample_02_pos.mzML 119545.35 0 159.02756167849526 2.6262987 234 Sample_02_pos.mzML 48308.695 0 175.00145180579432 2.6233456 235 Sample_02_pos.mzML 12526.395 0 83.06022538821384 2.6915092 236 Sample_02_pos.mzML 165951.81 0 159.02754096432605 2.6711876 238 Sample_02_pos.mzML 650046.94 0 269.1074820276356 2.733594 239 Sample_02_pos.mzML 22687.086 0 136.06159150189967 2.7327607 240 Sample_02_pos.mzML 6353805.0 0 268.103853951424 2.735583 241 Sample_02_pos.mzML 12986.391 0 124.0867204867036 2.7465951 242 Sample_02_pos.mzML 15495.725 0 206.04549179878435 2.7396824 246 Sample_02_pos.mzML 47927.7 0 169.05813466701616 2.7622888 247 Sample_02_pos.mzML 3585.872 0 147.07620312825443 2.7634428 249 Sample_02_pos.mzML 26243.508 0 251.14995309511343 2.8096216 250 Sample_02_pos.mzML 19655.277 0 124.08672952186082 2.7857726 251 Sample_02_pos.mzML 30149.543 0 166.07212983034697 2.8522704 252 Sample_02_pos.mzML 14218.406 0 86.09628372212455 2.8936963 253 Sample_02_pos.mzML 237773.86 0 162.0582063782167 2.922553 254 Sample_02_pos.mzML 21037.803 0 158.08114129553522 3.0417824 255 Sample_02_pos.mzML 31796.8 0 124.03925425687731 3.3331635 256 Sample_02_pos.mzML 8323.9795 0 131.11768354659372 3.5462894 259 Sample_02_pos.mzML 21561.617 0 147.03008748928804 3.6102345 265 Sample_02_pos.mzML 12348.569 0 237.1342771902892 3.554259 268 Sample_02_pos.mzML 595848.3 0 104.10690922607166 3.615613 270 Sample_02_pos.mzML 29723.953 0 105.1101628079843 3.5773337 276 Sample_02_pos.mzML 76425.46 0 356.99219855042145 3.6094525 277 Sample_02_pos.mzML 175339.53 0 257.10061043785606 3.6021051 278 Sample_02_pos.mzML 662751.75 0 235.11878342337727 3.6104362 279 Sample_02_pos.mzML 403952.6 0 104.10691140742011 3.6254394 281 Sample_02_pos.mzML 1074051.8 0 146.02691561369866 3.617239 282 Sample_02_pos.mzML 388104.22 0 189.99069726862683 3.6186962 284 Sample_02_pos.mzML 945460.75 0 104.10691151684348 3.6318386 285 Sample_02_pos.mzML 45964.63 0 105.11016638499711 3.6433537 286 Sample_02_pos.mzML 170170.17 0 270.1921498403816 3.6826499 289 Sample_02_pos.mzML 157384.62 0 307.0436219791634 3.8853528 297 Sample_02_pos.mzML 339337.3 0 291.0697298907951 3.9010928 298 Sample_02_pos.mzML 75584.31 0 257.1006228106187 3.904753 299 Sample_02_pos.mzML 62204.195 0 270.1921248236023 3.9918861 305 Sample_02_pos.mzML 500048.34 0 235.11874356344256 3.9848194 307 Sample_02_pos.mzML 887972.7 0 146.02687268396707 3.9806588 308 Sample_02_pos.mzML 85116.76 0 314.09137691435643 3.989151 310 Sample_02_pos.mzML 178340.05 0 269.0877500718245 3.9971244 311 Sample_02_pos.mzML 74205.69 0 270.1921288646996 3.9987442 313 Sample_02_pos.mzML 213344.7 0 137.04561392556303 4.0023994 314 Sample_02_pos.mzML 35081.723 0 268.1037209235785 4.003829 315 Sample_02_pos.mzML 64551.902 0 163.05335215225128 4.0424848 317 Sample_02_pos.mzML 132732.55 0 152.05653168599866 4.009559 321 Sample_02_pos.mzML 1560308.9 0 148.04256672639687 4.012652 324 Sample_02_pos.mzML 34212.85 0 213.08672615987487 4.018884 334 Sample_02_pos.mzML 75767.8 0 245.18571573726572 4.136272 345 Sample_02_pos.mzML 72148.59 0 134.11737910350053 4.1628757 348 Sample_02_pos.mzML 64271.434 0 163.0533777453292 4.1968255 349 Sample_02_pos.mzML 0.0 0 137.04558546014155 4.19949 352 Sample_02_pos.mzML 35241.586 0 268.1037602942401 4.2119775 353 Sample_02_pos.mzML 14972.561 0 229.118040650464 4.229315 354 Sample_02_pos.mzML 40402.387 0 245.18574102113112 4.2097106 356 Sample_02_pos.mzML 9115.344 0 200.10278438614216 4.2574863 357 Sample_02_pos.mzML 10033.309 0 268.1037589105309 4.217879 358 Sample_02_pos.mzML 0.0 0 270.1922424181455 4.279421 359 Sample_02_pos.mzML 0.0 0 189.99075931378115 4.327314 360 Sample_02_pos.mzML 33416.355 0 134.11743645494067 4.2845025 361 Sample_02_pos.mzML 0.0 0 242.18611577228643 4.3433714 362 Sample_02_pos.mzML 0.0 0 304.1765208263302 4.7402077 363 Sample_02_pos.mzML 0.0 0 172.13294299742864 4.7589955 364 Sample_02_pos.mzML 2795.1848 0 189.9905913432856 4.772744 367 Sample_02_pos.mzML 70170.266 0 159.09139985691644 4.8108883 371 Sample_02_pos.mzML 529016.2 0 120.08061352243423 4.8438725 372 Sample_02_pos.mzML 395879.34 0 167.08935800092092 4.845658 373 Sample_02_pos.mzML 199212.7 0 266.07438437754746 4.819725 375 Sample_02_pos.mzML 185272.39 0 249.0607079423268 4.8210406 378 Sample_02_pos.mzML 1655665.2 0 205.09695945152035 4.8233333 380 Sample_02_pos.mzML 386393.75 0 188.07038343865275 4.8246927 384 Sample_02_pos.mzML 496376.56 0 188.07038967593124 4.8265615 385 Sample_02_pos.mzML 222050.81 0 266.07438495902727 4.8215938 390 Sample_02_pos.mzML 8216351.5 0 166.08609631348253 4.846532 391 Sample_02_pos.mzML 229629.47 0 146.02679892343698 4.84755 392 Sample_02_pos.mzML 535485.8 0 120.08061021815044 4.850492 393 Sample_02_pos.mzML 1879554.6 0 176.11331845539647 4.850525 405 Sample_02_pos.mzML 45471.953 0 124.08671779184456 4.861618 406 Sample_02_pos.mzML 98363.25 0 242.18597353886392 4.893828 414 Sample_02_pos.mzML 393600.53 0 167.0893640074416 4.8583703 415 Sample_02_pos.mzML 330976.88 0 188.070370874549 4.853523 432 Sample_02_pos.mzML 1424556.0 0 132.10181358254428 5.070786 439 Sample_02_pos.mzML 869976.06 0 134.10843493246685 5.0749183 440 Sample_02_pos.mzML 16261599.0 0 133.10514633013727 5.075796 441 Sample_02_pos.mzML 3089435.5 0 132.10180873486888 5.0757966 442 Sample_02_pos.mzML 609627.5 0 254.16086399050823 5.076235 444 Sample_02_pos.mzML 2857913.8 0 86.09634855868607 5.0771127 460 Sample_02_pos.mzML 410190.47 0 231.1700284982437 5.157729 462 Sample_02_pos.mzML 1542036.5 0 86.09635085819752 5.0803976 464 Sample_02_pos.mzML 2587101.8 0 132.1018131478376 5.079959 465 Sample_02_pos.mzML 9605055.0 0 133.10514770247934 5.0799584 466 Sample_02_pos.mzML 522729.94 0 134.10843686992123 5.079081 471 Sample_02_pos.mzML 162315.75 0 231.17003514728088 5.1624675 472 Sample_02_pos.mzML 123400.914 0 177.068867688938 5.0954223 476 Sample_02_pos.mzML 59684.516 0 146.02680791872297 5.2020907 482 Sample_02_pos.mzML 280218.16 0 170.06097130330835 5.208097 485 Sample_02_pos.mzML 180215.4 0 322.054438749271 5.261234 486 Sample_02_pos.mzML 463954.38 0 306.0806507387645 5.269045 487 Sample_02_pos.mzML 267626.72 0 284.09869474213104 5.2824006 490 Sample_02_pos.mzML 641872.9 0 254.1609829416835 5.2925267 498 Sample_02_pos.mzML 74268.6 0 228.1703774765928 5.428404 499 Sample_02_pos.mzML 302579.9 0 254.16093846752423 5.4288635 500 Sample_02_pos.mzML 78832.33 0 176.06557454370355 5.4312606 501 Sample_02_pos.mzML 302444.3 0 86.09634303157317 5.453327 502 Sample_02_pos.mzML 1461348.6 0 132.10179944532445 5.452833 505 Sample_02_pos.mzML 1164278.0 0 133.10515142846097 5.4484563 506 Sample_02_pos.mzML 2651835.8 0 132.10179448037488 5.4554677 507 Sample_02_pos.mzML 610613.9 0 86.09633268244676 5.4559617 508 Sample_02_pos.mzML 52787.56 0 192.0394553458964 5.4579144 510 Sample_02_pos.mzML 122686.875 0 254.160928157678 5.431993 518 Sample_02_pos.mzML 242772.28 0 208.01345244401543 5.4915414 529 Sample_02_pos.mzML 813520.25 0 122.9244093086683 5.570595 530 Sample_02_pos.mzML 331329.62 0 458.7694151411931 5.5711894 532 Sample_02_pos.mzML 567761.94 0 206.88568577248728 5.572176 534 Sample_02_pos.mzML 346858.38 0 542.7307149004203 5.5728345 537 Sample_02_pos.mzML 1174412.0 0 290.8469756666516 5.574323 539 Sample_02_pos.mzML 334067.8 0 292.84486404160776 5.57543 546 Sample_02_pos.mzML 7060099.5 0 118.086136282161 5.6935368 547 Sample_02_pos.mzML 367303.62 0 119.08943078666724 5.6957307 549 Sample_02_pos.mzML 231990.0 0 158.03999253356488 5.6885877 558 Sample_02_pos.mzML 17833438.0 0 118.08614084735753 5.695406 559 Sample_02_pos.mzML 2938783.8 0 156.0419594783285 5.700437 561 Sample_02_pos.mzML 136479.97 0 133.10503503876865 5.7478676 563 Sample_02_pos.mzML 916647.7 0 119.08942925468972 5.6976 564 Sample_02_pos.mzML 1230436.8 0 235.1649571996301 5.6980495 573 Sample_02_pos.mzML 2956103.8 0 273.1208172600843 5.7226243 586 Sample_02_pos.mzML 776978.75 0 150.0580937823089 5.736668 587 Sample_02_pos.mzML 662793.75 0 257.14684101952525 5.737107 591 Sample_02_pos.mzML 4773426.0 0 163.05338891159045 5.738424 603 Sample_02_pos.mzML 756288.9 0 107.0714836044441 5.7414956 604 Sample_02_pos.mzML 1618027.2 0 136.05042953346918 5.741495 606 Sample_02_pos.mzML 13923646.0 0 153.07702607515895 5.742373 609 Sample_02_pos.mzML 1009123.9 0 201.00917974363804 5.743689 617 Sample_02_pos.mzML 846405.06 0 156.04195771190652 5.7104034 621 Sample_02_pos.mzML 572938.6 0 273.12082086293464 5.7262015 622 Sample_02_pos.mzML 336455.38 0 132.10170818206214 5.7288346 628 Sample_02_pos.mzML 524620.75 0 133.10504212972964 5.765699 640 Sample_02_pos.mzML 282893.12 0 217.15447541961305 5.817688 659 Sample_02_pos.mzML 143261.25 0 203.13879992661973 5.825148 660 Sample_02_pos.mzML 336853.53 0 215.13885933944832 5.825148 674 Sample_02_pos.mzML 35021.516 0 138.0547721930798 5.8345313 678 Sample_02_pos.mzML 52569.44 0 227.15804343513688 5.843843 679 Sample_02_pos.mzML 694725.5 0 226.1548276939271 5.84388 683 Sample_02_pos.mzML 269230.8 0 118.08618244730933 5.818649 685 Sample_02_pos.mzML 101604.664 0 197.040867463821 5.8871245 686 Sample_02_pos.mzML 74192.82 0 320.17136170937744 5.910408 687 Sample_02_pos.mzML 508576.0 0 115.08651467149711 5.9351325 688 Sample_02_pos.mzML 112424.58 0 137.06841851907743 5.936834 690 Sample_02_pos.mzML 129286.16 0 265.11149031603264 5.9485784 691 Sample_02_pos.mzML 56924.316 0 228.14534892007973 6.0084243 693 Sample_02_pos.mzML 123639.31 0 226.1548933204581 6.043236 695 Sample_02_pos.mzML 124405.05 0 228.1454157073448 6.1668887 698 Sample_02_pos.mzML 682520.94 0 118.08615791324712 6.2560725 699 Sample_02_pos.mzML 85042.95 0 132.10171546003687 6.300898 700 Sample_02_pos.mzML 112197.19 0 133.10509747646654 6.288588 701 Sample_02_pos.mzML 175731.67 0 153.07699495948592 6.2302094 708 Sample_02_pos.mzML 71793.99 0 298.02467259368444 6.2890944 710 Sample_02_pos.mzML 119649.016 0 162.0499397667938 6.361732 711 Sample_02_pos.mzML 651590.25 0 118.08612947184405 6.2692437 713 Sample_02_pos.mzML 216894.75 0 90.976550099308 6.411321 717 Sample_02_pos.mzML 91758.83 0 133.10506197129337 6.3418784 723 Sample_02_pos.mzML 83442.7 0 132.10170322970416 6.3238697 729 Sample_02_pos.mzML 1614185.2 0 430.9133167798752 6.445311 730 Sample_02_pos.mzML 1099365.5 0 498.9006283059093 6.4422398 733 Sample_02_pos.mzML 847242.44 0 566.887996552571 6.4444346 742 Sample_02_pos.mzML 221672.27 0 162.049928906656 6.3924384 743 Sample_02_pos.mzML 568884.75 0 566.8879974709893 6.465941 744 Sample_02_pos.mzML 113335.12 0 298.0246176631577 6.392486 746 Sample_02_pos.mzML 1385702.2 0 90.9765516798645 6.4571624 752 Sample_02_pos.mzML 2605651.5 0 362.925952839678 6.459356 753 Sample_02_pos.mzML 1086405.8 0 430.91332032039486 6.4764752 754 Sample_02_pos.mzML 731830.5 0 498.9006293329196 6.464187 760 Sample_02_pos.mzML 3150319.8 0 430.9133173583412 6.47867 763 Sample_02_pos.mzML 3850660.0 0 362.9259521619515 6.46155 768 Sample_02_pos.mzML 2084818.5 0 498.9006350513378 6.4663815 772 Sample_02_pos.mzML 1604410.5 0 566.8880079908274 6.4703307 774 Sample_02_pos.mzML 29614306.0 0 226.95130605314407 6.4734025 776 Sample_02_pos.mzML 4200135.0 0 158.96391743043827 6.475264 777 Sample_02_pos.mzML 2234649.5 0 90.97655184812557 6.4699974 783 Sample_02_pos.mzML 808984.9 0 430.913321997725 6.485361 797 Sample_02_pos.mzML 565265.44 0 498.9006368424921 6.481851 798 Sample_02_pos.mzML 440808.7 0 566.8880087807638 6.490188 801 Sample_02_pos.mzML 418075.06 0 116.07045588148864 6.535134 806 Sample_02_pos.mzML 206542.0 0 90.97654696859416 6.497805 807 Sample_02_pos.mzML 336745.62 0 133.1050813977587 6.57356 820 Sample_02_pos.mzML 75817.086 0 258.15586908713766 6.8444924 821 Sample_02_pos.mzML 100964.945 0 301.96555337204217 6.8449597 822 Sample_02_pos.mzML 389285.8 0 214.12973993847905 6.8736024 826 Sample_02_pos.mzML 279541.34 0 376.979765282261 6.890302 833 Sample_02_pos.mzML 170038.27 0 308.9923908286443 6.898309 835 Sample_02_pos.mzML 149711.8 0 173.09190815945408 6.8987 836 Sample_02_pos.mzML 1231730.1 0 165.99085411729348 6.9019084 837 Sample_02_pos.mzML 210346.58 0 451.9939689509807 6.901796 842 Sample_02_pos.mzML 767680.75 0 122.02695576262852 6.907451 845 Sample_02_pos.mzML 220436.27 0 241.0309804045192 6.929818 848 Sample_02_pos.mzML 123996.97 0 118.08612324531742 6.906456 850 Sample_02_pos.mzML 596259.2 0 122.02695713603926 6.910003 853 Sample_02_pos.mzML 103564.9 0 208.1806931005108 6.967325 857 Sample_02_pos.mzML 53062.88 0 226.95139637449867 7.056883 858 Sample_02_pos.mzML 246176.44 0 258.156014085099 7.159303 859 Sample_02_pos.mzML 80155.234 0 104.07052981519426 7.1661315 860 Sample_02_pos.mzML 138811.36 0 226.9514186720039 7.1463103 861 Sample_02_pos.mzML 13962.275 0 245.9476010251665 7.220245 862 Sample_02_pos.mzML 14322.245 0 201.9837410781343 7.2195973 863 Sample_02_pos.mzML 6059.6816 0 267.92949707305337 7.2172837 864 Sample_02_pos.mzML 98412.36 0 90.05496978874557 7.6612244 865 Sample_02_pos.mzML 41576.61 0 244.140503738826 7.6647267 866 Sample_02_pos.mzML 18245.227 0 230.14997669311865 7.6839995 867 Sample_02_pos.mzML 17690.758 0 134.01883779940704 7.6638207 868 Sample_02_pos.mzML 22490.068 0 328.0301594961641 7.9222236 869 Sample_02_pos.mzML 48476.254 0 306.048316086854 7.914533 870 Sample_02_pos.mzML 55183.664 0 285.1667082325685 7.933275 871 Sample_02_pos.mzML 47361.395 0 387.2709948049544 7.9394317 872 Sample_02_pos.mzML 71621.28 0 187.10747655608205 7.93947 877 Sample_02_pos.mzML 177163.39 0 197.0894356361632 7.961445 879 Sample_02_pos.mzML 802487.6 0 269.16060472372754 7.962421 880 Sample_02_pos.mzML 258439.02 0 346.05434588118914 7.9639306 881 Sample_02_pos.mzML 170768.86 0 271.1510202898235 7.9642925 890 Sample_02_pos.mzML 125240.85 0 129.06566925010313 7.9716926 891 Sample_02_pos.mzML 1064668.0 0 120.06545039741656 7.972265 894 Sample_02_pos.mzML 352682.53 0 164.02922326766455 7.9790225 895 Sample_02_pos.mzML 70873.984 0 133.10507612878197 7.9839897 896 Sample_02_pos.mzML 72895.555 0 153.07696300828565 7.981729 899 Sample_02_pos.mzML 52928.324 0 129.06566954676447 7.973686 901 Sample_02_pos.mzML 793741.44 0 233.10652019611663 7.9997315 904 Sample_02_pos.mzML 265268.3 0 217.12933749214804 8.017409 909 Sample_02_pos.mzML 37939.242 0 205.11810687589983 8.066115 910 Sample_02_pos.mzML 84475.375 0 176.09158435507644 8.110695 911 Sample_02_pos.mzML 48049.367 0 120.06538793621888 8.095319 912 Sample_02_pos.mzML 241515.78 0 216.13414402314515 8.137809 913 Sample_02_pos.mzML 65600.65 0 254.110947332547 8.13853 918 Sample_02_pos.mzML 61122.973 0 142.09734305994664 8.155034 919 Sample_02_pos.mzML 57316.25 0 247.12867941295664 8.191632 920 Sample_02_pos.mzML 73982.16 0 203.11372007085788 8.203923 921 Sample_02_pos.mzML 36954.75 0 246.1446736791892 8.23056 922 Sample_02_pos.mzML 112646.65 0 261.1443564364716 8.234616 923 Sample_02_pos.mzML 24052.97 0 283.12626085214976 8.235302 924 Sample_02_pos.mzML 137399.1 0 269.16066025719937 8.241423 925 Sample_02_pos.mzML 27717.627 0 226.9513300667016 8.252555 926 Sample_02_pos.mzML 29025.602 0 118.0861033091863 8.375219 927 Sample_02_pos.mzML 18615.957 0 244.0942511712273 8.360445 928 Sample_02_pos.mzML 45550.92 0 201.1788423536045 8.363343 929 Sample_02_pos.mzML 481678.06 0 200.1756825779179 8.360786 930 Sample_02_pos.mzML 56706.715 0 226.9513188023629 8.36787 931 Sample_02_pos.mzML 28099.965 0 217.1181167414713 8.373118 932 Sample_02_pos.mzML 45588.285 0 265.12695885890884 8.393177 933 Sample_02_pos.mzML 25800.629 0 365.105201429741 8.39588 934 Sample_02_pos.mzML 39091.04 0 157.16978702908858 8.416748 935 Sample_02_pos.mzML 16068.198 0 205.11817679551444 8.449443 936 Sample_02_pos.mzML 40403.633 0 166.0531984049978 8.511632 937 Sample_02_pos.mzML 0.0 0 210.01689084731828 8.517229 938 Sample_02_pos.mzML 40778.258 0 574.1288443930529 8.598261 939 Sample_02_pos.mzML 81030.32 0 188.03499184859004 8.604352 940 Sample_02_pos.mzML 23862.84 0 166.05302736240878 8.598813 941 Sample_02_pos.mzML 0.0 0 147.07628217729822 8.606629 942 Sample_02_pos.mzML 0.0 0 169.0581892689462 8.606629 944 Sample_02_pos.mzML 114731.71 0 175.10751430696803 8.61571 945 Sample_02_pos.mzML 161083.36 0 258.14458594133026 8.616849 949 Sample_02_pos.mzML 557521.0 0 106.0497993519311 8.619147 951 Sample_02_pos.mzML 69475.75 0 227.09996497608665 8.619727 953 Sample_02_pos.mzML 86841.35 0 365.1050858603464 8.622464 954 Sample_02_pos.mzML 72376.484 0 277.03801398466214 8.624969 957 Sample_02_pos.mzML 439087.28 0 230.1133787668119 8.627342 958 Sample_02_pos.mzML 102747.73 0 150.01357254868546 8.627431 964 Sample_02_pos.mzML 145977.36 0 268.12651808851587 8.64582 965 Sample_02_pos.mzML 76575.625 0 246.14460651871127 8.647682 966 Sample_02_pos.mzML 21990.664 0 118.0860713755489 8.666564 970 Sample_02_pos.mzML 111547.3 0 331.0597083994683 8.728163 971 Sample_02_pos.mzML 306746.0 0 177.02446857919654 8.73112 974 Sample_02_pos.mzML 542748.4 0 155.04258957375788 8.740393 975 Sample_02_pos.mzML 466066.88 0 230.1133464625389 8.74039 979 Sample_02_pos.mzML 835058.75 0 133.0606595880094 8.745018 980 Sample_02_pos.mzML 224609.3 0 286.15069933735964 8.763644 982 Sample_02_pos.mzML 210026.58 0 247.12860338588263 8.766978 988 Sample_02_pos.mzML 119420.53 0 361.1977693027184 8.791953 994 Sample_02_pos.mzML 952575.6 0 296.0656615542094 8.852614 995 Sample_02_pos.mzML 3541113.0 0 280.0918526920189 8.8539295 998 Sample_02_pos.mzML 1341283.1 0 537.1943231163153 8.85701 999 Sample_02_pos.mzML 1072725.0 0 259.11326523868405 8.8587675 1003 Sample_02_pos.mzML 12651453.0 0 258.1099364516471 8.860084 1009 Sample_02_pos.mzML 34006.137 0 153.07693685054173 8.865781 1016 Sample_02_pos.mzML 187391.33 0 322.1869685406384 8.8856325 1019 Sample_02_pos.mzML 163148.47 0 348.0696595688975 8.905177 1020 Sample_02_pos.mzML 188480.75 0 156.14936280240056 8.929667 1023 Sample_02_pos.mzML 266871.8 0 255.14499651185736 8.961529 1026 Sample_02_pos.mzML 145472.97 0 198.0847628014792 8.995751 1027 Sample_02_pos.mzML 77447.484 0 176.1027959719887 8.99959 1029 Sample_02_pos.mzML 1218076.9 0 288.2028931457914 9.03741 1030 Sample_02_pos.mzML 145841.0 0 289.2065919245926 9.038054 1031 Sample_02_pos.mzML 95479.68 0 168.076587656824 9.039931 1033 Sample_02_pos.mzML 187385.7 0 229.12936404392448 9.058728 1034 Sample_02_pos.mzML 94492.45 0 251.11128458048435 9.060653 1036 Sample_02_pos.mzML 180314.5 0 294.18102755142905 9.065932 1039 Sample_02_pos.mzML 44519.445 0 258.1447309396798 9.109013 1040 Sample_02_pos.mzML 11631.625 0 365.1052316626935 9.099115 1043 Sample_02_pos.mzML 26006.2 0 258.14458259952363 9.161549 1045 Sample_02_pos.mzML 87171.56 0 216.0629531114795 9.191652 1048 Sample_02_pos.mzML 70007.766 0 238.04483266653563 9.194025 1051 Sample_02_pos.mzML 354011.56 0 269.1604872451791 9.198629 1053 Sample_02_pos.mzML 2447908.2 0 260.19665861930304 9.201791 1054 Sample_02_pos.mzML 317072.56 0 261.20006499413546 9.202691 1067 Sample_02_pos.mzML 370910.47 0 149.06356867672196 9.225198 1069 Sample_02_pos.mzML 959037.94 0 130.04972503456412 9.2256365 1071 Sample_02_pos.mzML 6768371.5 0 148.06031941955982 9.226085 1079 Sample_02_pos.mzML 3037083.0 0 288.2028125859761 9.241891 1085 Sample_02_pos.mzML 327198.62 0 221.112942320711 9.250683 1096 Sample_02_pos.mzML 304680.88 0 366.10847337323975 9.300052 1099 Sample_02_pos.mzML 2347955.2 0 365.1051586729516 9.302187 1100 Sample_02_pos.mzML 2471.959 0 118.08606206806408 9.277427 1102 Sample_02_pos.mzML 223604.97 0 360.149656817636 9.311521 1107 Sample_02_pos.mzML 219991.61 0 359.26492669564453 9.318966 1111 Sample_02_pos.mzML 1031706.94 0 260.1967063364553 9.344571 1112 Sample_02_pos.mzML 124475.91 0 261.2001203040639 9.346213 1113 Sample_02_pos.mzML 45891.164 0 433.0925277310742 9.346755 1118 Sample_02_pos.mzML 81817.0 0 345.22421788168214 9.386636 1121 Sample_02_pos.mzML 240291.02 0 203.1501620783906 9.454228 1122 Sample_02_pos.mzML 18143.361 0 188.1755993548724 9.460129 1124 Sample_02_pos.mzML 60760.59 0 294.16712720772256 9.486702 1125 Sample_02_pos.mzML 10801.014 0 335.0339660433254 9.493368 1126 Sample_02_pos.mzML 59065.7 0 313.0520546222224 9.502534 1127 Sample_02_pos.mzML 39823.56 0 289.206630553843 9.5099125 1128 Sample_02_pos.mzML 375147.12 0 288.2029258528593 9.509217 1131 Sample_02_pos.mzML 84447.13 0 218.18619761371053 9.525903 1132 Sample_02_pos.mzML 26434.361 0 306.06162796412696 9.547405 1133 Sample_02_pos.mzML 26144.879 0 188.17558642399584 9.518045 1134 Sample_02_pos.mzML 44195.383 0 260.1967002040386 9.570424 1135 Sample_02_pos.mzML 24317.58 0 306.1592562972893 9.571097 1136 Sample_02_pos.mzML 322316.12 0 284.0796833657358 9.646189 1137 Sample_02_pos.mzML 31331.545 0 324.0588200527568 9.649519 1138 Sample_02_pos.mzML 53419.17 0 219.09737415252712 9.655475 1139 Sample_02_pos.mzML 130996.61 0 148.0602834766663 9.6562 1141 Sample_02_pos.mzML 69475.21 0 154.01670024274702 9.662093 1143 Sample_02_pos.mzML 26187.129 0 195.04322321426469 9.665049 1144 Sample_02_pos.mzML 204448.14 0 290.1344649431372 9.675607 1145 Sample_02_pos.mzML 146269.8 0 283.04150739594115 9.690609 1149 Sample_02_pos.mzML 101779.91 0 207.0973923543056 9.729797 1150 Sample_02_pos.mzML 60279.105 0 308.09087390128616 9.73265 1151 Sample_02_pos.mzML 41380.77 0 613.1510753489329 9.735156 1155 Sample_02_pos.mzML 39455.973 0 317.2180748441611 9.774086 1157 Sample_02_pos.mzML 297294.2 0 260.1966837829511 9.806193 1159 Sample_02_pos.mzML 77933.05 0 345.2493190320606 9.83373 1163 Sample_02_pos.mzML 111770.5 0 282.1180701017672 9.848723 1164 Sample_02_pos.mzML 177404.5 0 219.0973471625064 9.852621 1165 Sample_02_pos.mzML 134739.89 0 248.12386819185812 9.854269 1167 Sample_02_pos.mzML 226926.72 0 262.90666776551785 9.858233 1168 Sample_02_pos.mzML 76675.95 0 284.0795670488393 9.863204 1171 Sample_02_pos.mzML 1057748.8 0 134.04468296663256 9.863805 1172 Sample_02_pos.mzML 132636.64 0 142.94789363209495 9.862807 1174 Sample_02_pos.mzML 161143.98 0 249.107884486856 9.871725 1175 Sample_02_pos.mzML 770282.2 0 274.18716937581314 9.873346 1181 Sample_02_pos.mzML 196212.17 0 338.1819343706756 9.884996 1185 Sample_02_pos.mzML 170992.66 0 175.14390259797082 9.938897 1187 Sample_02_pos.mzML 6057356.5 0 156.07665515382126 9.965302 1188 Sample_02_pos.mzML 162285.94 0 178.05845818353518 9.965835 1189 Sample_02_pos.mzML 313430.9 0 110.07110800895867 9.96585 1192 Sample_02_pos.mzML 392970.5 0 157.07990648632463 9.970797 1195 Sample_02_pos.mzML 276159.16 0 246.1809879902873 9.996257 1201 Sample_02_pos.mzML 76839.83 0 299.0363071280015 10.030114 1205 Sample_02_pos.mzML 131822.33 0 310.17584025335856 10.059572 1206 Sample_02_pos.mzML 91339.05 0 190.1628070441479 10.089722 1207 Sample_02_pos.mzML 1064763.9 0 189.15962556992508 10.091929 1208 Sample_02_pos.mzML 107000.33 0 275.1908113067463 10.101804 1209 Sample_02_pos.mzML 1036813.1 0 274.18718518067203 10.102931 1211 Sample_02_pos.mzML 477246.97 0 364.0649234803579 10.105504 1216 Sample_02_pos.mzML 488065.5 0 227.11370840600603 10.148948 1219 Sample_02_pos.mzML 30964.48 0 195.0254494451458 10.179174 1220 Sample_02_pos.mzML 302792.7 0 323.0839267608916 10.180491 1224 Sample_02_pos.mzML 195420.66 0 237.05378657328663 10.185353 1229 Sample_02_pos.mzML 109386.414 0 259.12865594655494 10.204153 1234 Sample_02_pos.mzML 26902.668 0 235.09230901827425 10.252195 1239 Sample_02_pos.mzML 146105.08 0 472.2874612980231 10.308299 1242 Sample_02_pos.mzML 16342081.0 0 175.11882033505466 10.356683 1243 Sample_02_pos.mzML 521242.66 0 349.23023603947246 10.357158 1244 Sample_02_pos.mzML 183158.44 0 371.2121607007718 10.357639 1246 Sample_02_pos.mzML 1039257.5 0 176.12211343714353 10.358672 1249 Sample_02_pos.mzML 307781.8 0 197.1006803958095 10.360531 1251 Sample_02_pos.mzML 136577.86 0 130.09729229124068 10.370269 1252 Sample_02_pos.mzML 460139.0 0 246.18095223184145 10.376628 1254 Sample_02_pos.mzML 36757.52 0 364.0649180883176 10.324018 1256 Sample_02_pos.mzML 65875.18 0 272.1714484795354 10.424933 1258 Sample_02_pos.mzML 193892.56 0 257.1242348570159 10.465497 1259 Sample_02_pos.mzML 115142.41 0 285.2030842021909 10.469291 1260 Sample_02_pos.mzML 104273.516 0 156.0765780966775 10.469985 1261 Sample_02_pos.mzML 191591.6 0 442.74712460313145 10.470643 1263 Sample_02_pos.mzML 87002.25 0 347.228682719869 10.512813 1264 Sample_02_pos.mzML 84523.29 0 303.20249423925924 10.522915 1266 Sample_02_pos.mzML 101772.07 0 213.09809375538885 10.5390005 1267 Sample_02_pos.mzML 32961.688 0 589.1399646335841 10.551182 1271 Sample_02_pos.mzML 59840.227 0 156.07656270160743 10.643449 1272 Sample_02_pos.mzML 677262.5 0 175.11883104950437 10.63616 1276 Sample_02_pos.mzML 355088.8 0 148.11599366591082 10.651277 1278 Sample_02_pos.mzML 124586.49 0 191.07647587262292 10.651727 1279 Sample_02_pos.mzML 1010870.06 0 130.0861855729082 10.652225 1280 Sample_02_pos.mzML 149061.0 0 84.08064494962149 10.652238 1281 Sample_02_pos.mzML 5420925.0 0 147.1127199612054 10.652242 1283 Sample_02_pos.mzML 115811.71 0 169.09453102570544 10.654132 1289 Sample_02_pos.mzML 144892.53 0 244.16534762312872 10.664137 1290 Sample_02_pos.mzML 67963.24 0 257.1969723050618 10.6713915 1293 Sample_02_pos.mzML 736655.0 0 133.09706985780863 10.722098 1295 Sample_02_pos.mzML 324589.47 0 116.07050095631276 10.722583 1296 Sample_02_pos.mzML 77642.9 0 489.2762008111585 10.794624 1298 Sample_02_pos.mzML 118843.516 0 175.11881153058343 10.751388 1310 Sample_02_pos.mzML 877719.0 0 304.03932259922425 10.842536 1317 Sample_02_pos.mzML 1950294.4 0 283.06144442783113 10.857608 1318 Sample_02_pos.mzML 980367.94 0 563.1074885117305 10.858048 1320 Sample_02_pos.mzML 24261114.0 0 282.05750541230793 10.858509 1321 Sample_02_pos.mzML 2096371.5 0 284.0531507149704 10.858556 1324 Sample_02_pos.mzML 470596.22 0 163.05334706421047 10.861239 1330 Sample_02_pos.mzML 466477.66 0 237.0359682970429 10.877342 1334 Sample_02_pos.mzML 109211.5 0 175.1187171353388 10.861039 1336 Sample_02_pos.mzML 68199.234 0 241.03078940211464 10.946838 1342 Sample_02_pos.mzML 1546439.8 0 246.1559001157775 10.92701 1345 Sample_02_pos.mzML 139316.64 0 247.15931781669644 10.927976 1346 Sample_02_pos.mzML 143338.62 0 243.1085915333856 10.930374 1348 Sample_02_pos.mzML 401367.9 0 163.0534682624983 10.963395 1349 Sample_02_pos.mzML 121798.74 0 241.0308201955841 10.969333 1350 Sample_02_pos.mzML 31919.268 0 158.91554905353604 10.985007 1352 Sample_02_pos.mzML 18612.553 0 284.0795279906775 11.007104 1353 Sample_02_pos.mzML 37975.42 0 285.1191553590796 11.007634 1354 Sample_02_pos.mzML 78266.42 0 218.14977569757968 11.019916 1355 Sample_02_pos.mzML 150455.67 0 276.1666669024399 11.127444 1356 Sample_02_pos.mzML 0.0 0 277.17032556111366 11.130445 1360 Sample_02_pos.mzML 0.0 0 270.11951370352017 11.143098 1361 Sample_02_pos.mzML 30795.75 0 477.7683038765202 11.143561 1362 Sample_02_pos.mzML 55153.875 0 218.149918302188 11.197883 1364 Sample_02_pos.mzML 0.0 0 175.11883005279304 11.212697 1365 Sample_02_pos.mzML 11546.686 0 248.16044847300984 11.214851 1366 Sample_02_pos.mzML 0.0 0 241.03097143373472 11.219297 1367 Sample_02_pos.mzML 70025.0 0 232.14043462663736 11.221642 1369 Sample_02_pos.mzML 0.0 0 282.057543479596 11.168553 1370 Sample_02_pos.mzML 83382.76 0 313.18703563912146 11.3278265 1371 Sample_02_pos.mzML 13064.932 0 248.1605684094749 11.336497 1374 Sample_02_pos.mzML 303724.25 0 277.1390483125494 11.51134 1376 Sample_02_pos.mzML 17321.121 0 278.1423901329732 11.513539 1377 Sample_02_pos.mzML 118789.05 0 282.057449726996 11.514416 1378 Sample_02_pos.mzML 550779.2 0 304.16126122413266 11.517955 1388 Sample_02_pos.mzML 977790.25 0 262.1506913923568 11.531592 1389 Sample_02_pos.mzML 638447.8 0 204.13402659101504 11.532012 1407 Sample_02_pos.mzML 1062063.5 0 276.1550226035785 11.559689 1409 Sample_02_pos.mzML 94316696.0 0 241.03094338850485 11.5610075 1415 Sample_02_pos.mzML 8316449.5 0 243.02678201103345 11.562327 1426 Sample_02_pos.mzML 511686.03 0 303.1772234383022 11.568047 1437 Sample_02_pos.mzML 1057015.6 0 251.166119732511 11.585159 1457 Sample_02_pos.mzML 910616.2 0 275.1710225348117 11.613685 1466 Sample_02_pos.mzML 2148317.0 0 263.0128023889946 11.642216 1469 Sample_02_pos.mzML 381772.0 0 278.98660980913854 11.648937 1471 Sample_02_pos.mzML 302977.78 0 396.2363286809719 11.677346 1473 Sample_02_pos.mzML 1627118.5 0 234.1446648417694 11.690246 1485 Sample_02_pos.mzML 1138171.6 0 261.15555602427605 11.726382 1487 Sample_02_pos.mzML 450222.2 0 289.1616430518823 11.733912 1488 Sample_02_pos.mzML 297906.9 0 182.9849459620996 11.736179 1492 Sample_02_pos.mzML 103945.43 0 304.02686844036094 11.8071165 1499 Sample_02_pos.mzML 215435.67 0 151.03510544906462 11.850545 1503 Sample_02_pos.mzML 143421.05 0 278.9867347050311 11.727371 1509 Sample_02_pos.mzML 208539.66 0 304.0269243781329 11.844499 1510 Sample_02_pos.mzML 473870.44 0 151.03514920449794 11.8673315 1515 Sample_02_pos.mzML 20271.393 0 376.2189013075872 11.939273 1521 Sample_02_pos.mzML 0.0 0 473.3444755147893 12.102442 1522 Sample_02_pos.mzML 0.0 0 298.05247964856613 12.136988 1523 Sample_02_pos.mzML 34911.62 0 173.13408485930873 12.497563 1524 Sample_02_pos.mzML 19022.951 0 427.0952727376404 12.633031 1525 Sample_02_pos.mzML 60267.812 0 182.98494465025965 12.898163 1527 Sample_02_pos.mzML 2377729.8 0 167.01271717741983 12.917134 1528 Sample_02_pos.mzML 602417.3 0 255.94395639690367 12.917243 1530 Sample_02_pos.mzML 239529.42 0 385.9017133531906 12.921013 1531 Sample_02_pos.mzML 317731.16 0 143.99665492800966 12.922867 1533 Sample_02_pos.mzML 1405914.6 0 125.98620278672723 12.925508 1536 Sample_02_pos.mzML 272868.66 0 282.9047940378916 12.953278 1539 Sample_02_pos.mzML 38371.023 0 491.7875226546853 13.435786 1540 Sample_02_pos.mzML 67401.734 0 167.01272908201915 14.068723 1541 Sample_02_pos.mzML 0.0 0 241.03094812769385 14.083734 1542 Sample_02_pos.mzML 0.0 0 125.9861272213276 14.077281 1543 Sample_02_pos.mzML 0.0 0 241.03092328785684 14.2579565 1544 Sample_02_pos.mzML 0.0 0 125.98610652607104 14.2632475 1545 Sample_02_pos.mzML 387550.06 0 125.9860987016528 14.282119 1546 Sample_02_pos.mzML 954977.1 0 167.01266837053672 14.29509 1547 Sample_02_pos.mzML 13428.536 0 241.03092878208284 14.737781 1548 Sample_02_pos.mzML 0.0 0 241.03095848676367 15.381517 1549 Sample_02_pos.mzML 0.0 0 241.03092431621664 15.560758 1550 Sample_02_pos.mzML 73247.81 0 125.98607678073093 19.125986 1551 Sample_02_pos.mzML 68771.016 0 125.986068468798 19.237349 1 Sample_04_pos.mzML 56759.97 0 124.08669564836464 0.884114 2 Sample_04_pos.mzML 4806.8945 0 709.5135709142155 0.9277029 3 Sample_04_pos.mzML 17799.361 0 708.5102830575064 0.92855316 4 Sample_04_pos.mzML 1487.882 0 680.4788218943072 0.94213986 5 Sample_04_pos.mzML 4061.0554 0 663.4525341847894 0.94251555 8 Sample_04_pos.mzML 14284.227 0 124.0866635483428 0.9758523 13 Sample_04_pos.mzML 65807.56 0 338.3410184191165 0.94918865 14 Sample_04_pos.mzML 59776.117 0 228.19530207513023 0.9487448 15 Sample_04_pos.mzML 72214.195 0 431.3836089366016 0.94785005 16 Sample_04_pos.mzML 4120.9663 0 171.14883588649835 0.96850353 18 Sample_04_pos.mzML 292759.34 0 392.253772671759 0.95138794 19 Sample_04_pos.mzML 8300.591 0 144.98179283118262 0.9658699 24 Sample_04_pos.mzML 2092373.4 0 394.2890043118055 0.9663088 25 Sample_04_pos.mzML 10592918.0 0 393.2855729410101 0.9663088 27 Sample_04_pos.mzML 552174.7 0 377.2624336443359 0.96850294 34 Sample_04_pos.mzML 43670.41 0 376.2589851838652 0.9727521 38 Sample_04_pos.mzML 261795.0 0 421.31661595485554 0.9779623 39 Sample_04_pos.mzML 108328.0 0 88.07551193113026 0.97947496 53 Sample_04_pos.mzML 87524.14 0 124.08666138918748 0.993165 56 Sample_04_pos.mzML 552174.7 0 377.2624197988114 0.9718469 59 Sample_04_pos.mzML 46048.82 0 432.2372666227246 1.0112926 62 Sample_04_pos.mzML 261795.0 0 421.3166253437647 0.97587925 63 Sample_04_pos.mzML 34675.65 0 387.179513993051 1.0174752 64 Sample_04_pos.mzML 38405.54 0 404.206042018552 1.0174752 66 Sample_04_pos.mzML 88335.41 0 88.07550968410891 0.9884599 67 Sample_04_pos.mzML 2090196.9 0 394.2889108048021 0.9842202 68 Sample_04_pos.mzML 20785.303 0 351.23847785630625 1.0211498 70 Sample_04_pos.mzML 172116.34 0 393.2854598750544 0.9889083 73 Sample_04_pos.mzML 14553.1 0 376.25890207776246 0.99538916 74 Sample_04_pos.mzML 1727.4382 0 288.2529471652366 1.0429213 75 Sample_04_pos.mzML 16775.693 0 331.0807619477385 1.0405952 77 Sample_04_pos.mzML 53402.363 0 326.3776187676901 1.0575842 78 Sample_04_pos.mzML 107989.305 0 171.14889188727136 1.0486741 79 Sample_04_pos.mzML 8005.87 0 327.3810916038047 1.0591878 80 Sample_04_pos.mzML 21649.691 0 163.13257303241096 1.0823013 81 Sample_04_pos.mzML 89575.766 0 393.2854036509345 1.0183046 83 Sample_04_pos.mzML 171314.75 0 244.1904237605233 1.0973613 84 Sample_04_pos.mzML 186741.69 0 226.1798566023925 1.0981086 85 Sample_04_pos.mzML 98313.14 0 266.17230843797444 1.0986773 86 Sample_04_pos.mzML 21231.064 0 227.1831032067456 1.0987782 87 Sample_04_pos.mzML 43756.07 0 304.29949433328 1.1027321 88 Sample_04_pos.mzML 6054.791 0 305.30293167052633 1.1067916 92 Sample_04_pos.mzML 26618.875 0 251.18498943129944 1.1416863 93 Sample_04_pos.mzML 61435.816 0 124.08670965523844 1.1556855 94 Sample_04_pos.mzML 21131.719 0 216.0559227001227 1.1569017 95 Sample_04_pos.mzML 3483313.8 0 214.04970061718825 1.1580465 97 Sample_04_pos.mzML 439669.97 0 215.0529211514825 1.1586148 98 Sample_04_pos.mzML 43040.59 0 212.14716102940864 1.1687001 99 Sample_04_pos.mzML 11657.385 0 258.2788169776792 1.167492 100 Sample_04_pos.mzML 123164.27 0 88.07553334535379 1.1669827 101 Sample_04_pos.mzML 39439.066 0 180.10163704706503 1.1693052 102 Sample_04_pos.mzML 0.0 0 259.28220830541363 1.1698533 103 Sample_04_pos.mzML 397622.47 0 211.143882330612 1.1725975 104 Sample_04_pos.mzML 66479.586 0 367.2087928080393 1.1786896 106 Sample_04_pos.mzML 19384.846 0 164.07039862833477 1.1870936 107 Sample_04_pos.mzML 18356.252 0 245.1281492380409 1.1915327 108 Sample_04_pos.mzML 21122.752 0 284.13905400436323 1.1924504 110 Sample_04_pos.mzML 72782.51 0 230.2476229409027 1.208052 111 Sample_04_pos.mzML 6627.031 0 231.2509189682441 1.2119467 113 Sample_04_pos.mzML 29174.09 0 245.1282150522416 1.2145875 114 Sample_04_pos.mzML 42975.27 0 197.1282601988709 1.232969 115 Sample_04_pos.mzML 3713.7605 0 200.23706200725795 1.2285993 116 Sample_04_pos.mzML 25334.65 0 402.3573877818645 1.2316772 117 Sample_04_pos.mzML 13224.051 0 144.04758008856655 1.2390124 119 Sample_04_pos.mzML 21122.752 0 284.1390667992057 1.1856359 120 Sample_04_pos.mzML 17703.11 0 110.05986025284652 1.3090072 121 Sample_04_pos.mzML 129419.01 0 156.10173858023458 1.2697691 122 Sample_04_pos.mzML 23571.871 0 590.2061363974616 1.27046 123 Sample_04_pos.mzML 15889.242 0 138.09113936072484 1.286875 124 Sample_04_pos.mzML 168170.84 0 96.0442997411288 1.286875 125 Sample_04_pos.mzML 95192.29 0 162.06601688304164 1.2898526 127 Sample_04_pos.mzML 10957.969 0 170.11734099333302 1.2949688 128 Sample_04_pos.mzML 13146.521 0 210.1097480469689 1.3193958 129 Sample_04_pos.mzML 9073.675 0 146.98014902199242 1.2979198 130 Sample_04_pos.mzML 47665.145 0 197.12825593496416 1.2959038 131 Sample_04_pos.mzML 29108.785 0 144.98196187706563 1.3213226 135 Sample_04_pos.mzML 22073.836 0 169.07576992147565 1.3398076 137 Sample_04_pos.mzML 175663.48 0 246.1519543589688 1.3437899 138 Sample_04_pos.mzML 39065.418 0 195.11265710236808 1.3443106 140 Sample_04_pos.mzML 58933.35 0 154.0860441472675 1.3451465 142 Sample_04_pos.mzML 77160.29 0 110.0598549901638 1.3488079 148 Sample_04_pos.mzML 67976.61 0 243.14891618061824 1.3506924 151 Sample_04_pos.mzML 220058.58 0 126.05477443803215 1.3522042 152 Sample_04_pos.mzML 130443.61 0 100.07552017645202 1.3522406 156 Sample_04_pos.mzML 395785.84 0 283.12204191444454 1.3535328 166 Sample_04_pos.mzML 0.0 0 298.0965493713124 1.3567747 167 Sample_04_pos.mzML 162388.77 0 227.17513409439653 1.3601131 170 Sample_04_pos.mzML 94059.29 0 239.1486489095845 1.3637681 171 Sample_04_pos.mzML 137927.97 0 332.20810646332137 1.3653196 173 Sample_04_pos.mzML 832059.2 0 331.2046411437328 1.3668481 175 Sample_04_pos.mzML 141775.12 0 353.18635058440617 1.3700385 177 Sample_04_pos.mzML 66627.81 0 124.08674078601246 1.378172 178 Sample_04_pos.mzML 1056830.2 0 123.05520806435112 1.3835589 181 Sample_04_pos.mzML 92299.74 0 224.07373638627203 1.3882531 182 Sample_04_pos.mzML 120480.67 0 195.1224565621741 1.3905834 184 Sample_04_pos.mzML 10666.309 0 210.1097363228984 1.3884922 187 Sample_04_pos.mzML 376198.75 0 283.1220435150896 1.3583255 190 Sample_04_pos.mzML 29435.896 0 195.11287983767883 1.3899492 191 Sample_04_pos.mzML 29284.553 0 249.13438273444345 1.4200606 192 Sample_04_pos.mzML 0.0 0 105.06971063859694 1.4354923 193 Sample_04_pos.mzML 1532.3892 0 393.28554314722027 1.3910813 195 Sample_04_pos.mzML 82191.8 0 124.08674995537856 1.3871161 196 Sample_04_pos.mzML 0.0 0 393.28567548041735 1.4236475 197 Sample_04_pos.mzML 14750.684 0 151.09631717250656 1.4888855 198 Sample_04_pos.mzML 18285.64 0 348.14383698933153 1.4761354 199 Sample_04_pos.mzML 24152.22 0 375.0811540275393 1.489473 201 Sample_04_pos.mzML 14578.895 0 353.0992471828444 1.4867625 202 Sample_04_pos.mzML 32032.445 0 337.03648815326005 1.5395262 203 Sample_04_pos.mzML 55640.664 0 321.06256590229526 1.5395222 204 Sample_04_pos.mzML 0.0 0 298.0966397086858 1.6940964 205 Sample_04_pos.mzML 189389.6 0 190.08951118437503 1.7135324 206 Sample_04_pos.mzML 32160.582 0 144.98195244122175 1.9972055 207 Sample_04_pos.mzML 109962.2 0 190.0894178152409 1.9916908 208 Sample_04_pos.mzML 24348.723 0 146.08097871921322 1.9896737 209 Sample_04_pos.mzML 133088.64 0 267.1449176772506 1.9950703 210 Sample_04_pos.mzML 113372.67 0 152.07041948711262 2.0314512 211 Sample_04_pos.mzML 2458619.8 0 170.08106776554337 2.0327005 212 Sample_04_pos.mzML 197027.75 0 171.08430196994564 2.037283 213 Sample_04_pos.mzML 88393.734 0 331.2046255896961 2.049584 214 Sample_04_pos.mzML 21310.578 0 212.10276003144267 2.2255604 215 Sample_04_pos.mzML 213503.95 0 176.07386576343754 2.2393477 216 Sample_04_pos.mzML 0.0 0 395.1961437435049 2.25555 217 Sample_04_pos.mzML 18487.258 0 171.07623002808543 2.4603689 218 Sample_04_pos.mzML 0.0 0 136.06166758377617 2.4618294 219 Sample_04_pos.mzML 35294.223 0 162.99758522735817 2.464494 220 Sample_04_pos.mzML 57536.938 0 176.07378886026444 2.466533 221 Sample_04_pos.mzML 92531.91 0 212.1027452521681 2.4712422 222 Sample_04_pos.mzML 55316.33 0 234.0846850483877 2.4712543 224 Sample_04_pos.mzML 100366.42 0 251.1500001009124 2.490054 225 Sample_04_pos.mzML 129460.055 0 170.08096549677393 2.497286 227 Sample_04_pos.mzML 184879.33 0 242.09971739527816 2.5311325 228 Sample_04_pos.mzML 414859.9 0 220.11781080236509 2.5324228 229 Sample_04_pos.mzML 36093.88 0 221.1210520053073 2.5324228 231 Sample_04_pos.mzML 435117.28 0 137.04566565562763 2.61302 232 Sample_04_pos.mzML 219074.45 0 167.09253949646646 2.6150174 233 Sample_04_pos.mzML 343598.47 0 159.02756167849526 2.6262987 234 Sample_04_pos.mzML 176271.53 0 175.00145180579432 2.6233456 235 Sample_04_pos.mzML 16749.06 0 83.06022538821384 2.6915092 236 Sample_04_pos.mzML 206922.5 0 159.02754096432605 2.6711876 238 Sample_04_pos.mzML 272450.8 0 269.1074820276356 2.733594 239 Sample_04_pos.mzML 12952.633 0 136.06159150189967 2.7327607 240 Sample_04_pos.mzML 2678887.0 0 268.103853951424 2.735583 241 Sample_04_pos.mzML 83240.82 0 124.0867204867036 2.7465951 242 Sample_04_pos.mzML 7734.9844 0 206.04549179878435 2.7396824 246 Sample_04_pos.mzML 93322.555 0 169.05813466701616 2.7622888 247 Sample_04_pos.mzML 23511.404 0 147.07620312825443 2.7634428 249 Sample_04_pos.mzML 86694.32 0 251.14995309511343 2.8096216 250 Sample_04_pos.mzML 52565.105 0 124.08672952186082 2.7857726 251 Sample_04_pos.mzML 61149.49 0 166.07212983034697 2.8522704 252 Sample_04_pos.mzML 5915.5176 0 86.09628372212455 2.8936963 253 Sample_04_pos.mzML 241995.2 0 162.0582063782167 2.922553 254 Sample_04_pos.mzML 42849.96 0 158.08114129553522 3.0417824 255 Sample_04_pos.mzML 51537.77 0 124.03925425687731 3.3331635 256 Sample_04_pos.mzML 22311.08 0 131.11768354659372 3.5462894 259 Sample_04_pos.mzML 0.0 0 147.03008748928804 3.6102345 265 Sample_04_pos.mzML 28893.555 0 237.1342771902892 3.554259 268 Sample_04_pos.mzML 2121242.5 0 104.10690922607166 3.615613 270 Sample_04_pos.mzML 112750.98 0 105.1101628079843 3.5773337 276 Sample_04_pos.mzML 0.0 0 356.99219855042145 3.6094525 277 Sample_04_pos.mzML 527712.56 0 257.10061043785606 3.6021051 278 Sample_04_pos.mzML 1233070.0 0 235.11878342337727 3.6104362 279 Sample_04_pos.mzML 3007283.2 0 104.10691140742011 3.6254394 281 Sample_04_pos.mzML 534606.9 0 146.02691561369866 3.617239 282 Sample_04_pos.mzML 243283.62 0 189.99069726862683 3.6186962 284 Sample_04_pos.mzML 3441757.8 0 104.10691151684348 3.6318386 285 Sample_04_pos.mzML 176574.88 0 105.11016638499711 3.6433537 286 Sample_04_pos.mzML 345135.2 0 270.1921498403816 3.6826499 289 Sample_04_pos.mzML 1611703.2 0 307.0436219791634 3.8853528 297 Sample_04_pos.mzML 4364045.0 0 291.0697298907951 3.9010928 298 Sample_04_pos.mzML 124379.234 0 257.1006228106187 3.904753 299 Sample_04_pos.mzML 245573.2 0 270.1921248236023 3.9918861 305 Sample_04_pos.mzML 1119071.4 0 235.11874356344256 3.9848194 307 Sample_04_pos.mzML 263782.56 0 146.02687268396707 3.9806588 308 Sample_04_pos.mzML 209497.16 0 314.09137691435643 3.989151 310 Sample_04_pos.mzML 3034248.8 0 269.0877500718245 3.9971244 311 Sample_04_pos.mzML 361604.66 0 270.1921288646996 3.9987442 313 Sample_04_pos.mzML 3625584.2 0 137.04561392556303 4.0023994 314 Sample_04_pos.mzML 37029.492 0 268.1037209235785 4.003829 315 Sample_04_pos.mzML 48795.594 0 163.05335215225128 4.0424848 317 Sample_04_pos.mzML 292287.4 0 152.05653168599866 4.009559 321 Sample_04_pos.mzML 3641676.5 0 148.04256672639687 4.012652 324 Sample_04_pos.mzML 74772.16 0 213.08672615987487 4.018884 334 Sample_04_pos.mzML 205263.25 0 245.18571573726572 4.136272 345 Sample_04_pos.mzML 114632.56 0 134.11737910350053 4.1628757 348 Sample_04_pos.mzML 160759.62 0 163.0533777453292 4.1968255 349 Sample_04_pos.mzML 89871.055 0 137.04558546014155 4.19949 352 Sample_04_pos.mzML 4097.496 0 268.1037602942401 4.2119775 353 Sample_04_pos.mzML 68658.27 0 229.118040650464 4.229315 354 Sample_04_pos.mzML 127813.13 0 245.18574102113112 4.2097106 356 Sample_04_pos.mzML 50413.668 0 200.10278438614216 4.2574863 357 Sample_04_pos.mzML 4097.496 0 268.1037589105309 4.217879 358 Sample_04_pos.mzML 20155.512 0 270.1922424181455 4.279421 359 Sample_04_pos.mzML 0.0 0 189.99075931378115 4.327314 360 Sample_04_pos.mzML 32424.09 0 134.11743645494067 4.2845025 361 Sample_04_pos.mzML 0.0 0 242.18611577228643 4.3433714 362 Sample_04_pos.mzML 25579.428 0 304.1765208263302 4.7402077 363 Sample_04_pos.mzML 0.0 0 172.13294299742864 4.7589955 364 Sample_04_pos.mzML 0.0 0 189.9905913432856 4.772744 367 Sample_04_pos.mzML 151522.34 0 159.09139985691644 4.8108883 371 Sample_04_pos.mzML 1254688.8 0 120.08061352243423 4.8438725 372 Sample_04_pos.mzML 877583.5 0 167.08935800092092 4.845658 373 Sample_04_pos.mzML 925480.25 0 266.07438437754746 4.819725 375 Sample_04_pos.mzML 530049.5 0 249.0607079423268 4.8210406 378 Sample_04_pos.mzML 2542846.2 0 205.09695945152035 4.8233333 380 Sample_04_pos.mzML 1998990.1 0 188.07038343865275 4.8246927 384 Sample_04_pos.mzML 1588238.0 0 188.07038967593124 4.8265615 385 Sample_04_pos.mzML 851716.1 0 266.07438495902727 4.8215938 390 Sample_04_pos.mzML 13517199.0 0 166.08609631348253 4.846532 391 Sample_04_pos.mzML 31634.965 0 146.02679892343698 4.84755 392 Sample_04_pos.mzML 1847842.6 0 120.08061021815044 4.850492 393 Sample_04_pos.mzML 3150068.0 0 176.11331845539647 4.850525 405 Sample_04_pos.mzML 13750.379 0 124.08671779184456 4.861618 406 Sample_04_pos.mzML 319472.62 0 242.18597353886392 4.893828 414 Sample_04_pos.mzML 938802.44 0 167.0893640074416 4.8583703 415 Sample_04_pos.mzML 1172399.2 0 188.070370874549 4.853523 432 Sample_04_pos.mzML 7818193.0 0 132.10181358254428 5.070786 439 Sample_04_pos.mzML 2287318.0 0 134.10843493246685 5.0749183 440 Sample_04_pos.mzML 42536716.0 0 133.10514633013727 5.075796 441 Sample_04_pos.mzML 11373378.0 0 132.10180873486888 5.0757966 442 Sample_04_pos.mzML 1045225.94 0 254.16086399050823 5.076235 444 Sample_04_pos.mzML 8358785.5 0 86.09634855868607 5.0771127 460 Sample_04_pos.mzML 984140.1 0 231.1700284982437 5.157729 462 Sample_04_pos.mzML 6840229.0 0 86.09635085819752 5.0803976 464 Sample_04_pos.mzML 9224842.0 0 132.1018131478376 5.079959 465 Sample_04_pos.mzML 34578410.0 0 133.10514770247934 5.0799584 466 Sample_04_pos.mzML 1857650.9 0 134.10843686992123 5.079081 471 Sample_04_pos.mzML 1018385.94 0 231.17003514728088 5.1624675 472 Sample_04_pos.mzML 542678.94 0 177.068867688938 5.0954223 476 Sample_04_pos.mzML 124080.94 0 146.02680791872297 5.2020907 482 Sample_04_pos.mzML 442051.22 0 170.06097130330835 5.208097 485 Sample_04_pos.mzML 333883.12 0 322.054438749271 5.261234 486 Sample_04_pos.mzML 874566.6 0 306.0806507387645 5.269045 487 Sample_04_pos.mzML 392992.75 0 284.09869474213104 5.2824006 490 Sample_04_pos.mzML 1000293.06 0 254.1609829416835 5.2925267 498 Sample_04_pos.mzML 157289.03 0 228.1703774765928 5.428404 499 Sample_04_pos.mzML 887152.5 0 254.16093846752423 5.4288635 500 Sample_04_pos.mzML 163507.42 0 176.06557454370355 5.4312606 501 Sample_04_pos.mzML 1040911.44 0 86.09634303157317 5.453327 502 Sample_04_pos.mzML 4989166.0 0 132.10179944532445 5.452833 505 Sample_04_pos.mzML 1066984.1 0 133.10515142846097 5.4484563 506 Sample_04_pos.mzML 5563956.5 0 132.10179448037488 5.4554677 507 Sample_04_pos.mzML 1195847.2 0 86.09633268244676 5.4559617 508 Sample_04_pos.mzML 87322.24 0 192.0394553458964 5.4579144 510 Sample_04_pos.mzML 887152.5 0 254.160928157678 5.431993 518 Sample_04_pos.mzML 352632.72 0 208.01345244401543 5.4915414 529 Sample_04_pos.mzML 974439.7 0 122.9244093086683 5.570595 530 Sample_04_pos.mzML 350316.44 0 458.7694151411931 5.5711894 532 Sample_04_pos.mzML 597854.3 0 206.88568577248728 5.572176 534 Sample_04_pos.mzML 377796.4 0 542.7307149004203 5.5728345 537 Sample_04_pos.mzML 1202240.6 0 290.8469756666516 5.574323 539 Sample_04_pos.mzML 342354.28 0 292.84486404160776 5.57543 546 Sample_04_pos.mzML 43272696.0 0 118.086136282161 5.6935368 547 Sample_04_pos.mzML 2297891.0 0 119.08943078666724 5.6957307 549 Sample_04_pos.mzML 541318.2 0 158.03999253356488 5.6885877 558 Sample_04_pos.mzML 49073428.0 0 118.08614084735753 5.695406 559 Sample_04_pos.mzML 7274028.5 0 156.0419594783285 5.700437 561 Sample_04_pos.mzML 190535.34 0 133.10503503876865 5.7478676 563 Sample_04_pos.mzML 2607286.2 0 119.08942925468972 5.6976 564 Sample_04_pos.mzML 2971956.8 0 235.1649571996301 5.6980495 573 Sample_04_pos.mzML 7018086.5 0 273.1208172600843 5.7226243 586 Sample_04_pos.mzML 1230498.4 0 150.0580937823089 5.736668 587 Sample_04_pos.mzML 1897110.1 0 257.14684101952525 5.737107 591 Sample_04_pos.mzML 1600374.6 0 163.05338891159045 5.738424 603 Sample_04_pos.mzML 1330485.6 0 107.0714836044441 5.7414956 604 Sample_04_pos.mzML 2774659.0 0 136.05042953346918 5.741495 606 Sample_04_pos.mzML 22366092.0 0 153.07702607515895 5.742373 609 Sample_04_pos.mzML 447190.12 0 201.00917974363804 5.743689 617 Sample_04_pos.mzML 5191886.0 0 156.04195771190652 5.7104034 621 Sample_04_pos.mzML 6708202.5 0 273.12082086293464 5.7262015 622 Sample_04_pos.mzML 133706.23 0 132.10170818206214 5.7288346 628 Sample_04_pos.mzML 303751.0 0 133.10504212972964 5.765699 640 Sample_04_pos.mzML 581374.0 0 217.15447541961305 5.817688 659 Sample_04_pos.mzML 292183.88 0 203.13879992661973 5.825148 660 Sample_04_pos.mzML 781049.94 0 215.13885933944832 5.825148 674 Sample_04_pos.mzML 259594.84 0 138.0547721930798 5.8345313 678 Sample_04_pos.mzML 161953.28 0 227.15804343513688 5.843843 679 Sample_04_pos.mzML 1438259.8 0 226.1548276939271 5.84388 683 Sample_04_pos.mzML 2357516.2 0 118.08618244730933 5.818649 685 Sample_04_pos.mzML 191318.8 0 197.040867463821 5.8871245 686 Sample_04_pos.mzML 174821.0 0 320.17136170937744 5.910408 687 Sample_04_pos.mzML 920676.25 0 115.08651467149711 5.9351325 688 Sample_04_pos.mzML 281448.8 0 137.06841851907743 5.936834 690 Sample_04_pos.mzML 234036.1 0 265.11149031603264 5.9485784 691 Sample_04_pos.mzML 123348.555 0 228.14534892007973 6.0084243 693 Sample_04_pos.mzML 329213.34 0 226.1548933204581 6.043236 695 Sample_04_pos.mzML 662189.2 0 228.1454157073448 6.1668887 698 Sample_04_pos.mzML 2610090.0 0 118.08615791324712 6.2560725 699 Sample_04_pos.mzML 28878.498 0 132.10171546003687 6.300898 700 Sample_04_pos.mzML 59463.57 0 133.10509747646654 6.288588 701 Sample_04_pos.mzML 246931.42 0 153.07699495948592 6.2302094 708 Sample_04_pos.mzML 542628.06 0 298.02467259368444 6.2890944 710 Sample_04_pos.mzML 690334.2 0 162.0499397667938 6.361732 711 Sample_04_pos.mzML 1020822.75 0 118.08612947184405 6.2692437 713 Sample_04_pos.mzML 2412799.5 0 90.976550099308 6.411321 717 Sample_04_pos.mzML 563533.7 0 133.10506197129337 6.3418784 723 Sample_04_pos.mzML 41190.305 0 132.10170322970416 6.3238697 729 Sample_04_pos.mzML 5483696.5 0 430.9133167798752 6.445311 730 Sample_04_pos.mzML 3697750.2 0 498.9006283059093 6.4422398 733 Sample_04_pos.mzML 2938884.2 0 566.887996552571 6.4444346 742 Sample_04_pos.mzML 1056674.8 0 162.049928906656 6.3924384 743 Sample_04_pos.mzML 3444195.0 0 566.8879974709893 6.465941 744 Sample_04_pos.mzML 341703.0 0 298.0246176631577 6.392486 746 Sample_04_pos.mzML 4533536.5 0 90.9765516798645 6.4571624 752 Sample_04_pos.mzML 6990934.0 0 362.925952839678 6.459356 753 Sample_04_pos.mzML 7150502.0 0 430.91332032039486 6.4764752 754 Sample_04_pos.mzML 4802785.5 0 498.9006293329196 6.464187 760 Sample_04_pos.mzML 7367611.5 0 430.9133173583412 6.47867 763 Sample_04_pos.mzML 8598627.0 0 362.9259521619515 6.46155 768 Sample_04_pos.mzML 6259940.5 0 498.9006350513378 6.4663815 772 Sample_04_pos.mzML 4864363.5 0 566.8880079908274 6.4703307 774 Sample_04_pos.mzML 40705664.0 0 226.95130605314407 6.4734025 776 Sample_04_pos.mzML 5890194.5 0 158.96391743043827 6.475264 777 Sample_04_pos.mzML 5847145.5 0 90.97655184812557 6.4699974 783 Sample_04_pos.mzML 9223639.0 0 430.913321997725 6.485361 797 Sample_04_pos.mzML 3409263.0 0 498.9006368424921 6.481851 798 Sample_04_pos.mzML 2660221.0 0 566.8880087807638 6.490188 801 Sample_04_pos.mzML 1409404.1 0 116.07045588148864 6.535134 806 Sample_04_pos.mzML 2353410.8 0 90.97654696859416 6.497805 807 Sample_04_pos.mzML 307174.88 0 133.1050813977587 6.57356 820 Sample_04_pos.mzML 91006.21 0 258.15586908713766 6.8444924 821 Sample_04_pos.mzML 252886.47 0 301.96555337204217 6.8449597 822 Sample_04_pos.mzML 412437.38 0 214.12973993847905 6.8736024 826 Sample_04_pos.mzML 215850.47 0 376.979765282261 6.890302 833 Sample_04_pos.mzML 194551.11 0 308.9923908286443 6.898309 835 Sample_04_pos.mzML 76036.664 0 173.09190815945408 6.8987 836 Sample_04_pos.mzML 853484.44 0 165.99085411729348 6.9019084 837 Sample_04_pos.mzML 80917.85 0 451.9939689509807 6.901796 842 Sample_04_pos.mzML 336851.12 0 122.02695576262852 6.907451 845 Sample_04_pos.mzML 6868.2256 0 241.0309804045192 6.929818 848 Sample_04_pos.mzML 158981.0 0 118.08612324531742 6.906456 850 Sample_04_pos.mzML 334825.56 0 122.02695713603926 6.910003 853 Sample_04_pos.mzML 109432.57 0 208.1806931005108 6.967325 857 Sample_04_pos.mzML 138506.92 0 226.95139637449867 7.056883 858 Sample_04_pos.mzML 151057.44 0 258.156014085099 7.159303 859 Sample_04_pos.mzML 31623.309 0 104.07052981519426 7.1661315 860 Sample_04_pos.mzML 75542.23 0 226.9514186720039 7.1463103 861 Sample_04_pos.mzML 0.0 0 245.9476010251665 7.220245 862 Sample_04_pos.mzML 1936.235 0 201.9837410781343 7.2195973 863 Sample_04_pos.mzML 0.0 0 267.92949707305337 7.2172837 864 Sample_04_pos.mzML 175862.86 0 90.05496978874557 7.6612244 865 Sample_04_pos.mzML 99583.42 0 244.140503738826 7.6647267 866 Sample_04_pos.mzML 54942.89 0 230.14997669311865 7.6839995 867 Sample_04_pos.mzML 54620.52 0 134.01883779940704 7.6638207 868 Sample_04_pos.mzML 24324.602 0 328.0301594961641 7.9222236 869 Sample_04_pos.mzML 51634.39 0 306.048316086854 7.914533 870 Sample_04_pos.mzML 59460.926 0 285.1667082325685 7.933275 871 Sample_04_pos.mzML 47063.348 0 387.2709948049544 7.9394317 872 Sample_04_pos.mzML 77962.77 0 187.10747655608205 7.93947 877 Sample_04_pos.mzML 187709.53 0 197.0894356361632 7.961445 879 Sample_04_pos.mzML 805909.2 0 269.16060472372754 7.962421 880 Sample_04_pos.mzML 252866.5 0 346.05434588118914 7.9639306 881 Sample_04_pos.mzML 224841.22 0 271.1510202898235 7.9642925 890 Sample_04_pos.mzML 195586.9 0 129.06566925010313 7.9716926 891 Sample_04_pos.mzML 1146343.1 0 120.06545039741656 7.972265 894 Sample_04_pos.mzML 407497.16 0 164.02922326766455 7.9790225 895 Sample_04_pos.mzML 143861.0 0 133.10507612878197 7.9839897 896 Sample_04_pos.mzML 103151.51 0 153.07696300828565 7.981729 899 Sample_04_pos.mzML 195586.9 0 129.06566954676447 7.973686 901 Sample_04_pos.mzML 947068.7 0 233.10652019611663 7.9997315 904 Sample_04_pos.mzML 288920.84 0 217.12933749214804 8.017409 909 Sample_04_pos.mzML 43383.125 0 205.11810687589983 8.066115 910 Sample_04_pos.mzML 99645.59 0 176.09158435507644 8.110695 911 Sample_04_pos.mzML 141873.56 0 120.06538793621888 8.095319 912 Sample_04_pos.mzML 293801.53 0 216.13414402314515 8.137809 913 Sample_04_pos.mzML 82850.92 0 254.110947332547 8.13853 918 Sample_04_pos.mzML 64422.906 0 142.09734305994664 8.155034 919 Sample_04_pos.mzML 65630.15 0 247.12867941295664 8.191632 920 Sample_04_pos.mzML 82637.06 0 203.11372007085788 8.203923 921 Sample_04_pos.mzML 37286.703 0 246.1446736791892 8.23056 922 Sample_04_pos.mzML 120671.81 0 261.1443564364716 8.234616 923 Sample_04_pos.mzML 27725.873 0 283.12626085214976 8.235302 924 Sample_04_pos.mzML 134547.83 0 269.16066025719937 8.241423 925 Sample_04_pos.mzML 32845.24 0 226.9513300667016 8.252555 926 Sample_04_pos.mzML 14439.749 0 118.0861033091863 8.375219 927 Sample_04_pos.mzML 0.0 0 244.0942511712273 8.360445 928 Sample_04_pos.mzML 36704.59 0 201.1788423536045 8.363343 929 Sample_04_pos.mzML 400014.47 0 200.1756825779179 8.360786 930 Sample_04_pos.mzML 42030.56 0 226.9513188023629 8.36787 931 Sample_04_pos.mzML 27590.855 0 217.1181167414713 8.373118 932 Sample_04_pos.mzML 44269.68 0 265.12695885890884 8.393177 933 Sample_04_pos.mzML 25566.604 0 365.105201429741 8.39588 934 Sample_04_pos.mzML 18864.625 0 157.16978702908858 8.416748 935 Sample_04_pos.mzML 11608.445 0 205.11817679551444 8.449443 936 Sample_04_pos.mzML 41665.215 0 166.0531984049978 8.511632 937 Sample_04_pos.mzML 0.0 0 210.01689084731828 8.517229 938 Sample_04_pos.mzML 41469.152 0 574.1288443930529 8.598261 939 Sample_04_pos.mzML 85023.76 0 188.03499184859004 8.604352 940 Sample_04_pos.mzML 28128.07 0 166.05302736240878 8.598813 941 Sample_04_pos.mzML 0.0 0 147.07628217729822 8.606629 942 Sample_04_pos.mzML 0.0 0 169.0581892689462 8.606629 944 Sample_04_pos.mzML 117528.86 0 175.10751430696803 8.61571 945 Sample_04_pos.mzML 168647.19 0 258.14458594133026 8.616849 949 Sample_04_pos.mzML 575975.6 0 106.0497993519311 8.619147 951 Sample_04_pos.mzML 71014.22 0 227.09996497608665 8.619727 953 Sample_04_pos.mzML 94272.35 0 365.1050858603464 8.622464 954 Sample_04_pos.mzML 75170.18 0 277.03801398466214 8.624969 957 Sample_04_pos.mzML 448512.56 0 230.1133787668119 8.627342 958 Sample_04_pos.mzML 108025.95 0 150.01357254868546 8.627431 964 Sample_04_pos.mzML 157886.23 0 268.12651808851587 8.64582 965 Sample_04_pos.mzML 78752.266 0 246.14460651871127 8.647682 966 Sample_04_pos.mzML 21994.09 0 118.0860713755489 8.666564 970 Sample_04_pos.mzML 114308.18 0 331.0597083994683 8.728163 971 Sample_04_pos.mzML 325089.75 0 177.02446857919654 8.73112 974 Sample_04_pos.mzML 550999.56 0 155.04258957375788 8.740393 975 Sample_04_pos.mzML 433434.22 0 230.1133464625389 8.74039 979 Sample_04_pos.mzML 860172.25 0 133.0606595880094 8.745018 980 Sample_04_pos.mzML 218658.75 0 286.15069933735964 8.763644 982 Sample_04_pos.mzML 209603.02 0 247.12860338588263 8.766978 988 Sample_04_pos.mzML 119494.66 0 361.1977693027184 8.791953 994 Sample_04_pos.mzML 984252.2 0 296.0656615542094 8.852614 995 Sample_04_pos.mzML 3769992.0 0 280.0918526920189 8.8539295 998 Sample_04_pos.mzML 1421004.4 0 537.1943231163153 8.85701 999 Sample_04_pos.mzML 1139662.0 0 259.11326523868405 8.8587675 1003 Sample_04_pos.mzML 13549875.0 0 258.1099364516471 8.860084 1009 Sample_04_pos.mzML 189746.95 0 153.07693685054173 8.865781 1016 Sample_04_pos.mzML 386787.25 0 322.1869685406384 8.8856325 1019 Sample_04_pos.mzML 338574.0 0 348.0696595688975 8.905177 1020 Sample_04_pos.mzML 186649.33 0 156.14936280240056 8.929667 1023 Sample_04_pos.mzML 266703.6 0 255.14499651185736 8.961529 1026 Sample_04_pos.mzML 149973.61 0 198.0847628014792 8.995751 1027 Sample_04_pos.mzML 83756.86 0 176.1027959719887 8.99959 1029 Sample_04_pos.mzML 1220516.2 0 288.2028931457914 9.03741 1030 Sample_04_pos.mzML 145984.62 0 289.2065919245926 9.038054 1031 Sample_04_pos.mzML 95745.23 0 168.076587656824 9.039931 1033 Sample_04_pos.mzML 187698.56 0 229.12936404392448 9.058728 1034 Sample_04_pos.mzML 90206.76 0 251.11128458048435 9.060653 1036 Sample_04_pos.mzML 184406.69 0 294.18102755142905 9.065932 1039 Sample_04_pos.mzML 47793.723 0 258.1447309396798 9.109013 1040 Sample_04_pos.mzML 42467.438 0 365.1052316626935 9.099115 1043 Sample_04_pos.mzML 33760.977 0 258.14458259952363 9.161549 1045 Sample_04_pos.mzML 96179.29 0 216.0629531114795 9.191652 1048 Sample_04_pos.mzML 74063.65 0 238.04483266653563 9.194025 1051 Sample_04_pos.mzML 369120.03 0 269.1604872451791 9.198629 1053 Sample_04_pos.mzML 2580480.5 0 260.19665861930304 9.201791 1054 Sample_04_pos.mzML 317977.34 0 261.20006499413546 9.202691 1067 Sample_04_pos.mzML 400420.47 0 149.06356867672196 9.225198 1069 Sample_04_pos.mzML 1060078.5 0 130.04972503456412 9.2256365 1071 Sample_04_pos.mzML 7339716.0 0 148.06031941955982 9.226085 1079 Sample_04_pos.mzML 3090811.0 0 288.2028125859761 9.241891 1085 Sample_04_pos.mzML 332484.0 0 221.112942320711 9.250683 1096 Sample_04_pos.mzML 305358.75 0 366.10847337323975 9.300052 1099 Sample_04_pos.mzML 2357003.5 0 365.1051586729516 9.302187 1100 Sample_04_pos.mzML 33969.496 0 118.08606206806408 9.277427 1102 Sample_04_pos.mzML 198292.23 0 360.149656817636 9.311521 1107 Sample_04_pos.mzML 236184.05 0 359.26492669564453 9.318966 1111 Sample_04_pos.mzML 1153656.8 0 260.1967063364553 9.344571 1112 Sample_04_pos.mzML 143207.52 0 261.2001203040639 9.346213 1113 Sample_04_pos.mzML 42434.17 0 433.0925277310742 9.346755 1118 Sample_04_pos.mzML 166714.28 0 345.22421788168214 9.386636 1121 Sample_04_pos.mzML 483133.72 0 203.1501620783906 9.454228 1122 Sample_04_pos.mzML 76635.03 0 188.1755993548724 9.460129 1124 Sample_04_pos.mzML 128286.52 0 294.16712720772256 9.486702 1125 Sample_04_pos.mzML 75789.58 0 335.0339660433254 9.493368 1126 Sample_04_pos.mzML 151951.45 0 313.0520546222224 9.502534 1127 Sample_04_pos.mzML 96904.09 0 289.206630553843 9.5099125 1128 Sample_04_pos.mzML 814344.56 0 288.2029258528593 9.509217 1131 Sample_04_pos.mzML 156131.12 0 218.18619761371053 9.525903 1132 Sample_04_pos.mzML 45036.11 0 306.06162796412696 9.547405 1133 Sample_04_pos.mzML 46009.055 0 188.17558642399584 9.518045 1134 Sample_04_pos.mzML 63679.85 0 260.1967002040386 9.570424 1135 Sample_04_pos.mzML 24886.914 0 306.1592562972893 9.571097 1136 Sample_04_pos.mzML 396736.75 0 284.0796833657358 9.646189 1137 Sample_04_pos.mzML 50115.984 0 324.0588200527568 9.649519 1138 Sample_04_pos.mzML 66765.59 0 219.09737415252712 9.655475 1139 Sample_04_pos.mzML 154945.22 0 148.0602834766663 9.6562 1141 Sample_04_pos.mzML 40902.57 0 154.01670024274702 9.662093 1143 Sample_04_pos.mzML 0.0 0 195.04322321426469 9.665049 1144 Sample_04_pos.mzML 228424.47 0 290.1344649431372 9.675607 1145 Sample_04_pos.mzML 213634.06 0 283.04150739594115 9.690609 1149 Sample_04_pos.mzML 105603.99 0 207.0973923543056 9.729797 1150 Sample_04_pos.mzML 46398.152 0 308.09087390128616 9.73265 1151 Sample_04_pos.mzML 43098.727 0 613.1510753489329 9.735156 1155 Sample_04_pos.mzML 43835.973 0 317.2180748441611 9.774086 1157 Sample_04_pos.mzML 323201.6 0 260.1966837829511 9.806193 1159 Sample_04_pos.mzML 84794.78 0 345.2493190320606 9.83373 1163 Sample_04_pos.mzML 127384.5 0 282.1180701017672 9.848723 1164 Sample_04_pos.mzML 201115.36 0 219.0973471625064 9.852621 1165 Sample_04_pos.mzML 156049.97 0 248.12386819185812 9.854269 1167 Sample_04_pos.mzML 257592.48 0 262.90666776551785 9.858233 1168 Sample_04_pos.mzML 121462.625 0 284.0795670488393 9.863204 1171 Sample_04_pos.mzML 1229410.5 0 134.04468296663256 9.863805 1172 Sample_04_pos.mzML 157874.19 0 142.94789363209495 9.862807 1174 Sample_04_pos.mzML 179740.81 0 249.107884486856 9.871725 1175 Sample_04_pos.mzML 841138.6 0 274.18716937581314 9.873346 1181 Sample_04_pos.mzML 209245.61 0 338.1819343706756 9.884996 1185 Sample_04_pos.mzML 186876.98 0 175.14390259797082 9.938897 1187 Sample_04_pos.mzML 6276085.0 0 156.07665515382126 9.965302 1188 Sample_04_pos.mzML 172110.11 0 178.05845818353518 9.965835 1189 Sample_04_pos.mzML 333301.4 0 110.07110800895867 9.96585 1192 Sample_04_pos.mzML 408510.34 0 157.07990648632463 9.970797 1195 Sample_04_pos.mzML 289083.0 0 246.1809879902873 9.996257 1201 Sample_04_pos.mzML 107711.805 0 299.0363071280015 10.030114 1205 Sample_04_pos.mzML 135958.67 0 310.17584025335856 10.059572 1206 Sample_04_pos.mzML 96157.36 0 190.1628070441479 10.089722 1207 Sample_04_pos.mzML 1108719.1 0 189.15962556992508 10.091929 1208 Sample_04_pos.mzML 108196.55 0 275.1908113067463 10.101804 1209 Sample_04_pos.mzML 1062952.2 0 274.18718518067203 10.102931 1211 Sample_04_pos.mzML 467137.56 0 364.0649234803579 10.105504 1216 Sample_04_pos.mzML 494008.03 0 227.11370840600603 10.148948 1219 Sample_04_pos.mzML 0.0 0 195.0254494451458 10.179174 1220 Sample_04_pos.mzML 82351.91 0 323.0839267608916 10.180491 1224 Sample_04_pos.mzML 201506.7 0 237.05378657328663 10.185353 1229 Sample_04_pos.mzML 113959.5 0 259.12865594655494 10.204153 1234 Sample_04_pos.mzML 27310.232 0 235.09230901827425 10.252195 1239 Sample_04_pos.mzML 146622.66 0 472.2874612980231 10.308299 1242 Sample_04_pos.mzML 16759993.0 0 175.11882033505466 10.356683 1243 Sample_04_pos.mzML 538189.75 0 349.23023603947246 10.357158 1244 Sample_04_pos.mzML 193142.36 0 371.2121607007718 10.357639 1246 Sample_04_pos.mzML 1071331.2 0 176.12211343714353 10.358672 1249 Sample_04_pos.mzML 314148.34 0 197.1006803958095 10.360531 1251 Sample_04_pos.mzML 208596.48 0 130.09729229124068 10.370269 1252 Sample_04_pos.mzML 476270.94 0 246.18095223184145 10.376628 1254 Sample_04_pos.mzML 28819.264 0 364.0649180883176 10.324018 1256 Sample_04_pos.mzML 68071.42 0 272.1714484795354 10.424933 1258 Sample_04_pos.mzML 208102.66 0 257.1242348570159 10.465497 1259 Sample_04_pos.mzML 114630.65 0 285.2030842021909 10.469291 1260 Sample_04_pos.mzML 129417.07 0 156.0765780966775 10.469985 1261 Sample_04_pos.mzML 191876.11 0 442.74712460313145 10.470643 1263 Sample_04_pos.mzML 95697.45 0 347.228682719869 10.512813 1264 Sample_04_pos.mzML 93305.42 0 303.20249423925924 10.522915 1266 Sample_04_pos.mzML 142144.05 0 213.09809375538885 10.5390005 1267 Sample_04_pos.mzML 36702.63 0 589.1399646335841 10.551182 1271 Sample_04_pos.mzML 78666.97 0 156.07656270160743 10.643449 1272 Sample_04_pos.mzML 865180.44 0 175.11883104950437 10.63616 1276 Sample_04_pos.mzML 400952.66 0 148.11599366591082 10.651277 1278 Sample_04_pos.mzML 147535.44 0 191.07647587262292 10.651727 1279 Sample_04_pos.mzML 1158850.1 0 130.0861855729082 10.652225 1280 Sample_04_pos.mzML 186032.27 0 84.08064494962149 10.652238 1281 Sample_04_pos.mzML 6109176.5 0 147.1127199612054 10.652242 1283 Sample_04_pos.mzML 127994.586 0 169.09453102570544 10.654132 1289 Sample_04_pos.mzML 153755.62 0 244.16534762312872 10.664137 1290 Sample_04_pos.mzML 69890.72 0 257.1969723050618 10.6713915 1293 Sample_04_pos.mzML 763725.8 0 133.09706985780863 10.722098 1295 Sample_04_pos.mzML 352433.78 0 116.07050095631276 10.722583 1296 Sample_04_pos.mzML 77442.41 0 489.2762008111585 10.794624 1298 Sample_04_pos.mzML 237860.48 0 175.11881153058343 10.751388 1310 Sample_04_pos.mzML 854638.0 0 304.03932259922425 10.842536 1317 Sample_04_pos.mzML 1250567.2 0 283.06144442783113 10.857608 1318 Sample_04_pos.mzML 542119.06 0 563.1074885117305 10.858048 1320 Sample_04_pos.mzML 15355602.0 0 282.05750541230793 10.858509 1321 Sample_04_pos.mzML 1333276.2 0 284.0531507149704 10.858556 1324 Sample_04_pos.mzML 292670.56 0 163.05334706421047 10.861239 1330 Sample_04_pos.mzML 402028.47 0 237.0359682970429 10.877342 1334 Sample_04_pos.mzML 218324.36 0 175.1187171353388 10.861039 1336 Sample_04_pos.mzML 67991.82 0 241.03078940211464 10.946838 1342 Sample_04_pos.mzML 1541053.9 0 246.1559001157775 10.92701 1345 Sample_04_pos.mzML 137114.98 0 247.15931781669644 10.927976 1346 Sample_04_pos.mzML 137793.7 0 243.1085915333856 10.930374 1348 Sample_04_pos.mzML 278981.78 0 163.0534682624983 10.963395 1349 Sample_04_pos.mzML 200535.44 0 241.0308201955841 10.969333 1350 Sample_04_pos.mzML 36850.582 0 158.91554905353604 10.985007 1352 Sample_04_pos.mzML 23470.527 0 284.0795279906775 11.007104 1353 Sample_04_pos.mzML 34832.05 0 285.1191553590796 11.007634 1354 Sample_04_pos.mzML 81655.734 0 218.14977569757968 11.019916 1355 Sample_04_pos.mzML 189091.55 0 276.1666669024399 11.127444 1356 Sample_04_pos.mzML 8254.947 0 277.17032556111366 11.130445 1360 Sample_04_pos.mzML 0.0 0 270.11951370352017 11.143098 1361 Sample_04_pos.mzML 29687.213 0 477.7683038765202 11.143561 1362 Sample_04_pos.mzML 83648.31 0 218.149918302188 11.197883 1364 Sample_04_pos.mzML 0.0 0 175.11883005279304 11.212697 1365 Sample_04_pos.mzML 24426.188 0 248.16044847300984 11.214851 1366 Sample_04_pos.mzML 0.0 0 241.03097143373472 11.219297 1367 Sample_04_pos.mzML 102380.85 0 232.14043462663736 11.221642 1369 Sample_04_pos.mzML 0.0 0 282.057543479596 11.168553 1370 Sample_04_pos.mzML 86554.3 0 313.18703563912146 11.3278265 1371 Sample_04_pos.mzML 13203.125 0 248.1605684094749 11.336497 1374 Sample_04_pos.mzML 391841.66 0 277.1390483125494 11.51134 1376 Sample_04_pos.mzML 27603.152 0 278.1423901329732 11.513539 1377 Sample_04_pos.mzML 91241.83 0 282.057449726996 11.514416 1378 Sample_04_pos.mzML 561778.3 0 304.16126122413266 11.517955 1388 Sample_04_pos.mzML 991332.8 0 262.1506913923568 11.531592 1389 Sample_04_pos.mzML 657386.4 0 204.13402659101504 11.532012 1407 Sample_04_pos.mzML 1150152.8 0 276.1550226035785 11.559689 1409 Sample_04_pos.mzML 99792860.0 0 241.03094338850485 11.5610075 1415 Sample_04_pos.mzML 8806763.0 0 243.02678201103345 11.562327 1426 Sample_04_pos.mzML 522732.84 0 303.1772234383022 11.568047 1437 Sample_04_pos.mzML 1092154.5 0 251.166119732511 11.585159 1457 Sample_04_pos.mzML 978771.2 0 275.1710225348117 11.613685 1466 Sample_04_pos.mzML 2484253.2 0 263.0128023889946 11.642216 1469 Sample_04_pos.mzML 400274.16 0 278.98660980913854 11.648937 1471 Sample_04_pos.mzML 312984.56 0 396.2363286809719 11.677346 1473 Sample_04_pos.mzML 1707309.9 0 234.1446648417694 11.690246 1485 Sample_04_pos.mzML 1233571.9 0 261.15555602427605 11.726382 1487 Sample_04_pos.mzML 489248.56 0 289.1616430518823 11.733912 1488 Sample_04_pos.mzML 168795.45 0 182.9849459620996 11.736179 1492 Sample_04_pos.mzML 100544.22 0 304.02686844036094 11.8071165 1499 Sample_04_pos.mzML 234170.6 0 151.03510544906462 11.850545 1503 Sample_04_pos.mzML 191213.89 0 278.9867347050311 11.727371 1509 Sample_04_pos.mzML 272815.66 0 304.0269243781329 11.844499 1510 Sample_04_pos.mzML 578611.2 0 151.03514920449794 11.8673315 1515 Sample_04_pos.mzML 43743.605 0 376.2189013075872 11.939273 1521 Sample_04_pos.mzML 0.0 0 473.3444755147893 12.102442 1522 Sample_04_pos.mzML 0.0 0 298.05247964856613 12.136988 1523 Sample_04_pos.mzML 39464.895 0 173.13408485930873 12.497563 1524 Sample_04_pos.mzML 30837.477 0 427.0952727376404 12.633031 1525 Sample_04_pos.mzML 36249.797 0 182.98494465025965 12.898163 1527 Sample_04_pos.mzML 2494266.8 0 167.01271717741983 12.917134 1528 Sample_04_pos.mzML 645113.44 0 255.94395639690367 12.917243 1530 Sample_04_pos.mzML 255653.73 0 385.9017133531906 12.921013 1531 Sample_04_pos.mzML 352308.5 0 143.99665492800966 12.922867 1533 Sample_04_pos.mzML 1518780.1 0 125.98620278672723 12.925508 1536 Sample_04_pos.mzML 296690.84 0 282.9047940378916 12.953278 1539 Sample_04_pos.mzML 46166.363 0 491.7875226546853 13.435786 1540 Sample_04_pos.mzML 71040.66 0 167.01272908201915 14.068723 1541 Sample_04_pos.mzML 1821.448 0 241.03094812769385 14.083734 1542 Sample_04_pos.mzML 30196.88 0 125.9861272213276 14.077281 1543 Sample_04_pos.mzML 30779.076 0 241.03092328785684 14.2579565 1544 Sample_04_pos.mzML 311683.6 0 125.98610652607104 14.2632475 1545 Sample_04_pos.mzML 108037.52 0 125.9860987016528 14.282119 1546 Sample_04_pos.mzML 734298.75 0 167.01266837053672 14.29509 1547 Sample_04_pos.mzML 7104.557 0 241.03092878208284 14.737781 1548 Sample_04_pos.mzML 2047.5376 0 241.03095848676367 15.381517 1549 Sample_04_pos.mzML 1782.7595 0 241.03092431621664 15.560758 1550 Sample_04_pos.mzML 73806.44 0 125.98607678073093 19.125986 1551 Sample_04_pos.mzML 73567.57 0 125.986068468798 19.237349 1 Sample_08_pos.mzML 55582.973 0 124.08669564836464 0.884114 2 Sample_08_pos.mzML 8359.52 0 709.5135709142155 0.9277029 3 Sample_08_pos.mzML 28601.4 0 708.5102830575064 0.92855316 4 Sample_08_pos.mzML 1341.4397 0 680.4788218943072 0.94213986 5 Sample_08_pos.mzML 6260.0615 0 663.4525341847894 0.94251555 8 Sample_08_pos.mzML 71923.14 0 124.0866635483428 0.9758523 13 Sample_08_pos.mzML 65106.65 0 338.3410184191165 0.94918865 14 Sample_08_pos.mzML 28821.422 0 228.19530207513023 0.9487448 15 Sample_08_pos.mzML 45876.105 0 431.3836089366016 0.94785005 16 Sample_08_pos.mzML 8511.948 0 171.14883588649835 0.96850353 18 Sample_08_pos.mzML 319129.1 0 392.253772671759 0.95138794 19 Sample_08_pos.mzML 6725.105 0 144.98179283118262 0.9658699 24 Sample_08_pos.mzML 2775073.5 0 394.2890043118055 0.9663088 25 Sample_08_pos.mzML 12121710.0 0 393.2855729410101 0.9663088 27 Sample_08_pos.mzML 754183.4 0 377.2624336443359 0.96850294 34 Sample_08_pos.mzML 3297584.8 0 376.2589851838652 0.9727521 38 Sample_08_pos.mzML 1677755.6 0 421.31661595485554 0.9779623 39 Sample_08_pos.mzML 203648.66 0 88.07551193113026 0.97947496 53 Sample_08_pos.mzML 28863.416 0 124.08666138918748 0.993165 56 Sample_08_pos.mzML 733154.7 0 377.2624197988114 0.9718469 59 Sample_08_pos.mzML 136367.5 0 432.2372666227246 1.0112926 62 Sample_08_pos.mzML 1587264.8 0 421.3166253437647 0.97587925 63 Sample_08_pos.mzML 71077.01 0 387.179513993051 1.0174752 64 Sample_08_pos.mzML 77056.31 0 404.206042018552 1.0174752 66 Sample_08_pos.mzML 96462.586 0 88.07550968410891 0.9884599 67 Sample_08_pos.mzML 2681725.5 0 394.2889108048021 0.9842202 68 Sample_08_pos.mzML 42821.805 0 351.23847785630625 1.0211498 70 Sample_08_pos.mzML 11628455.0 0 393.2854598750544 0.9889083 73 Sample_08_pos.mzML 3133004.0 0 376.25890207776246 0.99538916 74 Sample_08_pos.mzML 0.0 0 288.2529471652366 1.0429213 75 Sample_08_pos.mzML 21561.754 0 331.0807619477385 1.0405952 77 Sample_08_pos.mzML 22439.314 0 326.3776187676901 1.0575842 78 Sample_08_pos.mzML 59930.508 0 171.14889188727136 1.0486741 79 Sample_08_pos.mzML 0.0 0 327.3810916038047 1.0591878 80 Sample_08_pos.mzML 21085.586 0 163.13257303241096 1.0823013 81 Sample_08_pos.mzML 395858.94 0 393.2854036509345 1.0183046 83 Sample_08_pos.mzML 190101.42 0 244.1904237605233 1.0973613 84 Sample_08_pos.mzML 190928.22 0 226.1798566023925 1.0981086 85 Sample_08_pos.mzML 96570.48 0 266.17230843797444 1.0986773 86 Sample_08_pos.mzML 22331.086 0 227.1831032067456 1.0987782 87 Sample_08_pos.mzML 10035.899 0 304.29949433328 1.1027321 88 Sample_08_pos.mzML 0.0 0 305.30293167052633 1.1067916 92 Sample_08_pos.mzML 22623.486 0 251.18498943129944 1.1416863 93 Sample_08_pos.mzML 45091.7 0 124.08670965523844 1.1556855 94 Sample_08_pos.mzML 15728.675 0 216.0559227001227 1.1569017 95 Sample_08_pos.mzML 2486987.8 0 214.04970061718825 1.1580465 97 Sample_08_pos.mzML 314215.22 0 215.0529211514825 1.1586148 98 Sample_08_pos.mzML 24818.598 0 212.14716102940864 1.1687001 99 Sample_08_pos.mzML 0.0 0 258.2788169776792 1.167492 100 Sample_08_pos.mzML 104672.086 0 88.07553334535379 1.1669827 101 Sample_08_pos.mzML 27642.889 0 180.10163704706503 1.1693052 102 Sample_08_pos.mzML 0.0 0 259.28220830541363 1.1698533 103 Sample_08_pos.mzML 298227.03 0 211.143882330612 1.1725975 104 Sample_08_pos.mzML 44249.53 0 367.2087928080393 1.1786896 106 Sample_08_pos.mzML 13421.412 0 164.07039862833477 1.1870936 107 Sample_08_pos.mzML 14706.138 0 245.1281492380409 1.1915327 108 Sample_08_pos.mzML 17113.129 0 284.13905400436323 1.1924504 110 Sample_08_pos.mzML 9690.144 0 230.2476229409027 1.208052 111 Sample_08_pos.mzML 0.0 0 231.2509189682441 1.2119467 113 Sample_08_pos.mzML 17875.402 0 245.1282150522416 1.2145875 114 Sample_08_pos.mzML 23405.611 0 197.1282601988709 1.232969 115 Sample_08_pos.mzML 0.0 0 200.23706200725795 1.2285993 116 Sample_08_pos.mzML 25695.04 0 402.3573877818645 1.2316772 117 Sample_08_pos.mzML 5856.7227 0 144.04758008856655 1.2390124 119 Sample_08_pos.mzML 17113.129 0 284.1390667992057 1.1856359 120 Sample_08_pos.mzML 48837.996 0 110.05986025284652 1.3090072 121 Sample_08_pos.mzML 56052.42 0 156.10173858023458 1.2697691 122 Sample_08_pos.mzML 16333.809 0 590.2061363974616 1.27046 123 Sample_08_pos.mzML 7603.4336 0 138.09113936072484 1.286875 124 Sample_08_pos.mzML 80400.57 0 96.0442997411288 1.286875 125 Sample_08_pos.mzML 41067.78 0 162.06601688304164 1.2898526 127 Sample_08_pos.mzML 0.0 0 170.11734099333302 1.2949688 128 Sample_08_pos.mzML 0.0 0 210.1097480469689 1.3193958 129 Sample_08_pos.mzML 0.0 0 146.98014902199242 1.2979198 130 Sample_08_pos.mzML 25170.654 0 197.12825593496416 1.2959038 131 Sample_08_pos.mzML 14461.196 0 144.98196187706563 1.3213226 135 Sample_08_pos.mzML 9925.38 0 169.07576992147565 1.3398076 137 Sample_08_pos.mzML 89904.83 0 246.1519543589688 1.3437899 138 Sample_08_pos.mzML 26205.451 0 195.11265710236808 1.3443106 140 Sample_08_pos.mzML 43179.453 0 154.0860441472675 1.3451465 142 Sample_08_pos.mzML 57783.96 0 110.0598549901638 1.3488079 148 Sample_08_pos.mzML 62322.934 0 243.14891618061824 1.3506924 151 Sample_08_pos.mzML 188170.84 0 126.05477443803215 1.3522042 152 Sample_08_pos.mzML 118459.66 0 100.07552017645202 1.3522406 156 Sample_08_pos.mzML 350717.62 0 283.12204191444454 1.3535328 166 Sample_08_pos.mzML 0.0 0 298.0965493713124 1.3567747 167 Sample_08_pos.mzML 148610.33 0 227.17513409439653 1.3601131 170 Sample_08_pos.mzML 77071.56 0 239.1486489095845 1.3637681 171 Sample_08_pos.mzML 87363.86 0 332.20810646332137 1.3653196 173 Sample_08_pos.mzML 547076.06 0 331.2046411437328 1.3668481 175 Sample_08_pos.mzML 85818.73 0 353.18635058440617 1.3700385 177 Sample_08_pos.mzML 62627.53 0 124.08674078601246 1.378172 178 Sample_08_pos.mzML 1005629.94 0 123.05520806435112 1.3835589 181 Sample_08_pos.mzML 76169.73 0 224.07373638627203 1.3882531 182 Sample_08_pos.mzML 128963.6 0 195.1224565621741 1.3905834 184 Sample_08_pos.mzML 5321.218 0 210.1097363228984 1.3884922 187 Sample_08_pos.mzML 331745.84 0 283.1220435150896 1.3583255 190 Sample_08_pos.mzML 25862.42 0 195.11287983767883 1.3899492 191 Sample_08_pos.mzML 38794.094 0 249.13438273444345 1.4200606 192 Sample_08_pos.mzML 0.0 0 105.06971063859694 1.4354923 193 Sample_08_pos.mzML 3709.7202 0 393.28554314722027 1.3910813 195 Sample_08_pos.mzML 17868.344 0 124.08674995537856 1.3871161 196 Sample_08_pos.mzML 0.0 0 393.28567548041735 1.4236475 197 Sample_08_pos.mzML 15973.709 0 151.09631717250656 1.4888855 198 Sample_08_pos.mzML 21095.264 0 348.14383698933153 1.4761354 199 Sample_08_pos.mzML 29760.328 0 375.0811540275393 1.489473 201 Sample_08_pos.mzML 17244.846 0 353.0992471828444 1.4867625 202 Sample_08_pos.mzML 32736.043 0 337.03648815326005 1.5395262 203 Sample_08_pos.mzML 61938.82 0 321.06256590229526 1.5395222 204 Sample_08_pos.mzML 0.0 0 298.0966397086858 1.6940964 205 Sample_08_pos.mzML 178332.95 0 190.08951118437503 1.7135324 206 Sample_08_pos.mzML 29461.441 0 144.98195244122175 1.9972055 207 Sample_08_pos.mzML 110189.805 0 190.0894178152409 1.9916908 208 Sample_08_pos.mzML 27463.834 0 146.08097871921322 1.9896737 209 Sample_08_pos.mzML 217692.84 0 267.1449176772506 1.9950703 210 Sample_08_pos.mzML 171797.56 0 152.07041948711262 2.0314512 211 Sample_08_pos.mzML 3392081.0 0 170.08106776554337 2.0327005 212 Sample_08_pos.mzML 279483.06 0 171.08430196994564 2.037283 213 Sample_08_pos.mzML 55680.98 0 331.2046255896961 2.049584 214 Sample_08_pos.mzML 47070.25 0 212.10276003144267 2.2255604 215 Sample_08_pos.mzML 351737.16 0 176.07386576343754 2.2393477 216 Sample_08_pos.mzML 0.0 0 395.1961437435049 2.25555 217 Sample_08_pos.mzML 27460.816 0 171.07623002808543 2.4603689 218 Sample_08_pos.mzML 0.0 0 136.06166758377617 2.4618294 219 Sample_08_pos.mzML 48569.707 0 162.99758522735817 2.464494 220 Sample_08_pos.mzML 64836.613 0 176.07378886026444 2.466533 221 Sample_08_pos.mzML 103161.07 0 212.1027452521681 2.4712422 222 Sample_08_pos.mzML 64607.414 0 234.0846850483877 2.4712543 224 Sample_08_pos.mzML 109701.02 0 251.1500001009124 2.490054 225 Sample_08_pos.mzML 190092.9 0 170.08096549677393 2.497286 227 Sample_08_pos.mzML 216182.98 0 242.09971739527816 2.5311325 228 Sample_08_pos.mzML 481222.47 0 220.11781080236509 2.5324228 229 Sample_08_pos.mzML 42314.727 0 221.1210520053073 2.5324228 231 Sample_08_pos.mzML 496474.78 0 137.04566565562763 2.61302 232 Sample_08_pos.mzML 223368.56 0 167.09253949646646 2.6150174 233 Sample_08_pos.mzML 359147.47 0 159.02756167849526 2.6262987 234 Sample_08_pos.mzML 189186.11 0 175.00145180579432 2.6233456 235 Sample_08_pos.mzML 57968.434 0 83.06022538821384 2.6915092 236 Sample_08_pos.mzML 190676.9 0 159.02754096432605 2.6711876 238 Sample_08_pos.mzML 26172.611 0 269.1074820276356 2.733594 239 Sample_08_pos.mzML 0.0 0 136.06159150189967 2.7327607 240 Sample_08_pos.mzML 416661.56 0 268.103853951424 2.735583 241 Sample_08_pos.mzML 43796.605 0 124.0867204867036 2.7465951 242 Sample_08_pos.mzML 11033.408 0 206.04549179878435 2.7396824 246 Sample_08_pos.mzML 76456.52 0 169.05813466701616 2.7622888 247 Sample_08_pos.mzML 21195.57 0 147.07620312825443 2.7634428 249 Sample_08_pos.mzML 64438.938 0 251.14995309511343 2.8096216 250 Sample_08_pos.mzML 24885.188 0 124.08672952186082 2.7857726 251 Sample_08_pos.mzML 37534.7 0 166.07212983034697 2.8522704 252 Sample_08_pos.mzML 0.0 0 86.09628372212455 2.8936963 253 Sample_08_pos.mzML 183492.67 0 162.0582063782167 2.922553 254 Sample_08_pos.mzML 45212.28 0 158.08114129553522 3.0417824 255 Sample_08_pos.mzML 131406.58 0 124.03925425687731 3.3331635 256 Sample_08_pos.mzML 57664.547 0 131.11768354659372 3.5462894 259 Sample_08_pos.mzML 94106.53 0 147.03008748928804 3.6102345 265 Sample_08_pos.mzML 111843.58 0 237.1342771902892 3.554259 268 Sample_08_pos.mzML 2401938.0 0 104.10690922607166 3.615613 270 Sample_08_pos.mzML 111037.63 0 105.1101628079843 3.5773337 276 Sample_08_pos.mzML 227088.22 0 356.99219855042145 3.6094525 277 Sample_08_pos.mzML 379155.78 0 257.10061043785606 3.6021051 278 Sample_08_pos.mzML 1707881.6 0 235.11878342337727 3.6104362 279 Sample_08_pos.mzML 3218216.2 0 104.10691140742011 3.6254394 281 Sample_08_pos.mzML 3949713.8 0 146.02691561369866 3.617239 282 Sample_08_pos.mzML 932034.25 0 189.99069726862683 3.6186962 284 Sample_08_pos.mzML 3802104.0 0 104.10691151684348 3.6318386 285 Sample_08_pos.mzML 140884.78 0 105.11016638499711 3.6433537 286 Sample_08_pos.mzML 377884.5 0 270.1921498403816 3.6826499 289 Sample_08_pos.mzML 1927151.8 0 307.0436219791634 3.8853528 297 Sample_08_pos.mzML 5113576.0 0 291.0697298907951 3.9010928 298 Sample_08_pos.mzML 123855.6 0 257.1006228106187 3.904753 299 Sample_08_pos.mzML 123356.35 0 270.1921248236023 3.9918861 305 Sample_08_pos.mzML 1055482.5 0 235.11874356344256 3.9848194 307 Sample_08_pos.mzML 831031.6 0 146.02687268396707 3.9806588 308 Sample_08_pos.mzML 207219.53 0 314.09137691435643 3.989151 310 Sample_08_pos.mzML 3598140.2 0 269.0877500718245 3.9971244 311 Sample_08_pos.mzML 374089.16 0 270.1921288646996 3.9987442 313 Sample_08_pos.mzML 4383750.0 0 137.04561392556303 4.0023994 314 Sample_08_pos.mzML 21650.355 0 268.1037209235785 4.003829 315 Sample_08_pos.mzML 156999.52 0 163.05335215225128 4.0424848 317 Sample_08_pos.mzML 297883.72 0 152.05653168599866 4.009559 321 Sample_08_pos.mzML 3631694.2 0 148.04256672639687 4.012652 324 Sample_08_pos.mzML 65968.2 0 213.08672615987487 4.018884 334 Sample_08_pos.mzML 103236.484 0 245.18571573726572 4.136272 345 Sample_08_pos.mzML 77876.266 0 134.11737910350053 4.1628757 348 Sample_08_pos.mzML 357107.75 0 163.0533777453292 4.1968255 349 Sample_08_pos.mzML 83522.26 0 137.04558546014155 4.19949 352 Sample_08_pos.mzML 0.0 0 268.1037602942401 4.2119775 353 Sample_08_pos.mzML 77927.57 0 229.118040650464 4.229315 354 Sample_08_pos.mzML 135008.7 0 245.18574102113112 4.2097106 356 Sample_08_pos.mzML 62944.156 0 200.10278438614216 4.2574863 357 Sample_08_pos.mzML 0.0 0 268.1037589105309 4.217879 358 Sample_08_pos.mzML 27396.67 0 270.1922424181455 4.279421 359 Sample_08_pos.mzML 0.0 0 189.99075931378115 4.327314 360 Sample_08_pos.mzML 47654.32 0 134.11743645494067 4.2845025 361 Sample_08_pos.mzML 0.0 0 242.18611577228643 4.3433714 362 Sample_08_pos.mzML 35826.516 0 304.1765208263302 4.7402077 363 Sample_08_pos.mzML 0.0 0 172.13294299742864 4.7589955 364 Sample_08_pos.mzML 2963.8423 0 189.9905913432856 4.772744 367 Sample_08_pos.mzML 102950.125 0 159.09139985691644 4.8108883 371 Sample_08_pos.mzML 1374223.6 0 120.08061352243423 4.8438725 372 Sample_08_pos.mzML 967888.7 0 167.08935800092092 4.845658 373 Sample_08_pos.mzML 975902.25 0 266.07438437754746 4.819725 375 Sample_08_pos.mzML 556191.9 0 249.0607079423268 4.8210406 378 Sample_08_pos.mzML 2735410.8 0 205.09695945152035 4.8233333 380 Sample_08_pos.mzML 2124407.5 0 188.07038343865275 4.8246927 384 Sample_08_pos.mzML 1693770.1 0 188.07038967593124 4.8265615 385 Sample_08_pos.mzML 796303.6 0 266.07438495902727 4.8215938 390 Sample_08_pos.mzML 14541095.0 0 166.08609631348253 4.846532 391 Sample_08_pos.mzML 389573.38 0 146.02679892343698 4.84755 392 Sample_08_pos.mzML 2007855.6 0 120.08061021815044 4.850492 393 Sample_08_pos.mzML 3252389.2 0 176.11331845539647 4.850525 405 Sample_08_pos.mzML 26494.752 0 124.08671779184456 4.861618 406 Sample_08_pos.mzML 338829.62 0 242.18597353886392 4.893828 414 Sample_08_pos.mzML 1004640.9 0 167.0893640074416 4.8583703 415 Sample_08_pos.mzML 1229301.5 0 188.070370874549 4.853523 432 Sample_08_pos.mzML 8839483.0 0 132.10181358254428 5.070786 439 Sample_08_pos.mzML 2318614.2 0 134.10843493246685 5.0749183 440 Sample_08_pos.mzML 42682212.0 0 133.10514633013727 5.075796 441 Sample_08_pos.mzML 12235121.0 0 132.10180873486888 5.0757966 442 Sample_08_pos.mzML 1041056.6 0 254.16086399050823 5.076235 444 Sample_08_pos.mzML 8643754.0 0 86.09634855868607 5.0771127 460 Sample_08_pos.mzML 1071014.2 0 231.1700284982437 5.157729 462 Sample_08_pos.mzML 6771761.0 0 86.09635085819752 5.0803976 464 Sample_08_pos.mzML 9524769.0 0 132.1018131478376 5.079959 465 Sample_08_pos.mzML 33202002.0 0 133.10514770247934 5.0799584 466 Sample_08_pos.mzML 1820197.2 0 134.10843686992123 5.079081 471 Sample_08_pos.mzML 1148932.0 0 231.17003514728088 5.1624675 472 Sample_08_pos.mzML 94909.03 0 177.068867688938 5.0954223 476 Sample_08_pos.mzML 548251.9 0 146.02680791872297 5.2020907 482 Sample_08_pos.mzML 466528.0 0 170.06097130330835 5.208097 485 Sample_08_pos.mzML 402146.06 0 322.054438749271 5.261234 486 Sample_08_pos.mzML 968438.4 0 306.0806507387645 5.269045 487 Sample_08_pos.mzML 439535.84 0 284.09869474213104 5.2824006 490 Sample_08_pos.mzML 1136188.4 0 254.1609829416835 5.2925267 498 Sample_08_pos.mzML 176052.0 0 228.1703774765928 5.428404 499 Sample_08_pos.mzML 989898.2 0 254.16093846752423 5.4288635 500 Sample_08_pos.mzML 193401.89 0 176.06557454370355 5.4312606 501 Sample_08_pos.mzML 1253388.6 0 86.09634303157317 5.453327 502 Sample_08_pos.mzML 5624929.5 0 132.10179944532445 5.452833 505 Sample_08_pos.mzML 1351735.6 0 133.10515142846097 5.4484563 506 Sample_08_pos.mzML 6200020.5 0 132.10179448037488 5.4554677 507 Sample_08_pos.mzML 1394645.2 0 86.09633268244676 5.4559617 508 Sample_08_pos.mzML 96302.21 0 192.0394553458964 5.4579144 510 Sample_08_pos.mzML 989898.2 0 254.160928157678 5.431993 518 Sample_08_pos.mzML 375453.47 0 208.01345244401543 5.4915414 529 Sample_08_pos.mzML 1026221.94 0 122.9244093086683 5.570595 530 Sample_08_pos.mzML 360803.25 0 458.7694151411931 5.5711894 532 Sample_08_pos.mzML 639596.1 0 206.88568577248728 5.572176 534 Sample_08_pos.mzML 391484.6 0 542.7307149004203 5.5728345 537 Sample_08_pos.mzML 1262983.8 0 290.8469756666516 5.574323 539 Sample_08_pos.mzML 356519.62 0 292.84486404160776 5.57543 546 Sample_08_pos.mzML 45488590.0 0 118.086136282161 5.6935368 547 Sample_08_pos.mzML 2411675.5 0 119.08943078666724 5.6957307 549 Sample_08_pos.mzML 593947.4 0 158.03999253356488 5.6885877 558 Sample_08_pos.mzML 50985384.0 0 118.08614084735753 5.695406 559 Sample_08_pos.mzML 7941119.0 0 156.0419594783285 5.700437 561 Sample_08_pos.mzML 131650.9 0 133.10503503876865 5.7478676 563 Sample_08_pos.mzML 2704698.8 0 119.08942925468972 5.6976 564 Sample_08_pos.mzML 3171778.8 0 235.1649571996301 5.6980495 573 Sample_08_pos.mzML 7843588.0 0 273.1208172600843 5.7226243 586 Sample_08_pos.mzML 1321709.1 0 150.0580937823089 5.736668 587 Sample_08_pos.mzML 1836985.5 0 257.14684101952525 5.737107 591 Sample_08_pos.mzML 4608341.5 0 163.05338891159045 5.738424 603 Sample_08_pos.mzML 1310216.2 0 107.0714836044441 5.7414956 604 Sample_08_pos.mzML 2705580.8 0 136.05042953346918 5.741495 606 Sample_08_pos.mzML 21761142.0 0 153.07702607515895 5.742373 609 Sample_08_pos.mzML 1140791.0 0 201.00917974363804 5.743689 617 Sample_08_pos.mzML 5735154.5 0 156.04195771190652 5.7104034 621 Sample_08_pos.mzML 4660545.0 0 273.12082086293464 5.7262015 622 Sample_08_pos.mzML 58359.848 0 132.10170818206214 5.7288346 628 Sample_08_pos.mzML 131650.9 0 133.10504212972964 5.765699 640 Sample_08_pos.mzML 622946.3 0 217.15447541961305 5.817688 659 Sample_08_pos.mzML 324739.16 0 203.13879992661973 5.825148 660 Sample_08_pos.mzML 832153.56 0 215.13885933944832 5.825148 674 Sample_08_pos.mzML 292112.62 0 138.0547721930798 5.8345313 678 Sample_08_pos.mzML 182667.44 0 227.15804343513688 5.843843 679 Sample_08_pos.mzML 1609833.5 0 226.1548276939271 5.84388 683 Sample_08_pos.mzML 1253792.0 0 118.08618244730933 5.818649 685 Sample_08_pos.mzML 232324.02 0 197.040867463821 5.8871245 686 Sample_08_pos.mzML 186757.8 0 320.17136170937744 5.910408 687 Sample_08_pos.mzML 1010254.06 0 115.08651467149711 5.9351325 688 Sample_08_pos.mzML 292965.44 0 137.06841851907743 5.936834 690 Sample_08_pos.mzML 229430.1 0 265.11149031603264 5.9485784 691 Sample_08_pos.mzML 140219.72 0 228.14534892007973 6.0084243 693 Sample_08_pos.mzML 398799.66 0 226.1548933204581 6.043236 695 Sample_08_pos.mzML 795853.06 0 228.1454157073448 6.1668887 698 Sample_08_pos.mzML 2701809.0 0 118.08615791324712 6.2560725 699 Sample_08_pos.mzML 280149.16 0 132.10171546003687 6.300898 700 Sample_08_pos.mzML 449611.1 0 133.10509747646654 6.288588 701 Sample_08_pos.mzML 325778.75 0 153.07699495948592 6.2302094 708 Sample_08_pos.mzML 190261.77 0 298.02467259368444 6.2890944 710 Sample_08_pos.mzML 659764.3 0 162.0499397667938 6.361732 711 Sample_08_pos.mzML 1597138.8 0 118.08612947184405 6.2692437 713 Sample_08_pos.mzML 2216424.2 0 90.976550099308 6.411321 717 Sample_08_pos.mzML 69855.42 0 133.10506197129337 6.3418784 723 Sample_08_pos.mzML 76827.49 0 132.10170322970416 6.3238697 729 Sample_08_pos.mzML 5588649.0 0 430.9133167798752 6.445311 730 Sample_08_pos.mzML 3764779.5 0 498.9006283059093 6.4422398 733 Sample_08_pos.mzML 2979653.5 0 566.887996552571 6.4444346 742 Sample_08_pos.mzML 1153351.9 0 162.049928906656 6.3924384 743 Sample_08_pos.mzML 3493991.0 0 566.8879974709893 6.465941 744 Sample_08_pos.mzML 369525.3 0 298.0246176631577 6.392486 746 Sample_08_pos.mzML 4477889.5 0 90.9765516798645 6.4571624 752 Sample_08_pos.mzML 7217716.0 0 362.925952839678 6.459356 753 Sample_08_pos.mzML 7429356.5 0 430.91332032039486 6.4764752 754 Sample_08_pos.mzML 4972693.5 0 498.9006293329196 6.464187 760 Sample_08_pos.mzML 7897382.0 0 430.9133173583412 6.47867 763 Sample_08_pos.mzML 9325525.0 0 362.9259521619515 6.46155 768 Sample_08_pos.mzML 6578854.0 0 498.9006350513378 6.4663815 772 Sample_08_pos.mzML 5065324.0 0 566.8880079908274 6.4703307 774 Sample_08_pos.mzML 42756700.0 0 226.95130605314407 6.4734025 776 Sample_08_pos.mzML 6168405.5 0 158.96391743043827 6.475264 777 Sample_08_pos.mzML 6127329.0 0 90.97655184812557 6.4699974 783 Sample_08_pos.mzML 9734208.0 0 430.913321997725 6.485361 797 Sample_08_pos.mzML 3723005.2 0 498.9006368424921 6.481851 798 Sample_08_pos.mzML 2882896.8 0 566.8880087807638 6.490188 801 Sample_08_pos.mzML 1459923.0 0 116.07045588148864 6.535134 806 Sample_08_pos.mzML 2791210.8 0 90.97654696859416 6.497805 807 Sample_08_pos.mzML 743831.9 0 133.1050813977587 6.57356 820 Sample_08_pos.mzML 100574.43 0 258.15586908713766 6.8444924 821 Sample_08_pos.mzML 185691.64 0 301.96555337204217 6.8449597 822 Sample_08_pos.mzML 490046.75 0 214.12973993847905 6.8736024 826 Sample_08_pos.mzML 307862.72 0 376.979765282261 6.890302 833 Sample_08_pos.mzML 300191.03 0 308.9923908286443 6.898309 835 Sample_08_pos.mzML 141806.44 0 173.09190815945408 6.8987 836 Sample_08_pos.mzML 1275316.8 0 165.99085411729348 6.9019084 837 Sample_08_pos.mzML 153967.19 0 451.9939689509807 6.901796 842 Sample_08_pos.mzML 741264.1 0 122.02695576262852 6.907451 845 Sample_08_pos.mzML 51582.824 0 241.0309804045192 6.929818 848 Sample_08_pos.mzML 139947.75 0 118.08612324531742 6.906456 850 Sample_08_pos.mzML 721555.06 0 122.02695713603926 6.910003 853 Sample_08_pos.mzML 136961.6 0 208.1806931005108 6.967325 857 Sample_08_pos.mzML 233775.12 0 226.95139637449867 7.056883 858 Sample_08_pos.mzML 283166.12 0 258.156014085099 7.159303 859 Sample_08_pos.mzML 76860.5 0 104.07052981519426 7.1661315 860 Sample_08_pos.mzML 137173.2 0 226.9514186720039 7.1463103 861 Sample_08_pos.mzML 20080.193 0 245.9476010251665 7.220245 862 Sample_08_pos.mzML 15990.076 0 201.9837410781343 7.2195973 863 Sample_08_pos.mzML 11106.741 0 267.92949707305337 7.2172837 864 Sample_08_pos.mzML 120037.89 0 90.05496978874557 7.6612244 865 Sample_08_pos.mzML 63426.715 0 244.140503738826 7.6647267 866 Sample_08_pos.mzML 26524.068 0 230.14997669311865 7.6839995 867 Sample_08_pos.mzML 28362.412 0 134.01883779940704 7.6638207 868 Sample_08_pos.mzML 27736.395 0 328.0301594961641 7.9222236 869 Sample_08_pos.mzML 55037.04 0 306.048316086854 7.914533 870 Sample_08_pos.mzML 70245.22 0 285.1667082325685 7.933275 871 Sample_08_pos.mzML 53669.453 0 387.2709948049544 7.9394317 872 Sample_08_pos.mzML 95444.94 0 187.10747655608205 7.93947 877 Sample_08_pos.mzML 211797.17 0 197.0894356361632 7.961445 879 Sample_08_pos.mzML 919396.7 0 269.16060472372754 7.962421 880 Sample_08_pos.mzML 282212.4 0 346.05434588118914 7.9639306 881 Sample_08_pos.mzML 260893.16 0 271.1510202898235 7.9642925 890 Sample_08_pos.mzML 226666.14 0 129.06566925010313 7.9716926 891 Sample_08_pos.mzML 1276522.4 0 120.06545039741656 7.972265 894 Sample_08_pos.mzML 359768.44 0 164.02922326766455 7.9790225 895 Sample_08_pos.mzML 77248.305 0 133.10507612878197 7.9839897 896 Sample_08_pos.mzML 114248.46 0 153.07696300828565 7.981729 899 Sample_08_pos.mzML 226666.14 0 129.06566954676447 7.973686 901 Sample_08_pos.mzML 991647.1 0 233.10652019611663 7.9997315 904 Sample_08_pos.mzML 314775.2 0 217.12933749214804 8.017409 909 Sample_08_pos.mzML 46430.516 0 205.11810687589983 8.066115 910 Sample_08_pos.mzML 105575.41 0 176.09158435507644 8.110695 911 Sample_08_pos.mzML 143525.0 0 120.06538793621888 8.095319 912 Sample_08_pos.mzML 325069.66 0 216.13414402314515 8.137809 913 Sample_08_pos.mzML 89307.98 0 254.110947332547 8.13853 918 Sample_08_pos.mzML 71194.28 0 142.09734305994664 8.155034 919 Sample_08_pos.mzML 74258.96 0 247.12867941295664 8.191632 920 Sample_08_pos.mzML 91581.805 0 203.11372007085788 8.203923 921 Sample_08_pos.mzML 40808.69 0 246.1446736791892 8.23056 922 Sample_08_pos.mzML 131256.28 0 261.1443564364716 8.234616 923 Sample_08_pos.mzML 30704.23 0 283.12626085214976 8.235302 924 Sample_08_pos.mzML 160326.53 0 269.16066025719937 8.241423 925 Sample_08_pos.mzML 38025.35 0 226.9513300667016 8.252555 926 Sample_08_pos.mzML 21825.691 0 118.0861033091863 8.375219 927 Sample_08_pos.mzML 7661.9297 0 244.0942511712273 8.360445 928 Sample_08_pos.mzML 45833.66 0 201.1788423536045 8.363343 929 Sample_08_pos.mzML 471937.5 0 200.1756825779179 8.360786 930 Sample_08_pos.mzML 60196.54 0 226.9513188023629 8.36787 931 Sample_08_pos.mzML 32099.635 0 217.1181167414713 8.373118 932 Sample_08_pos.mzML 59946.56 0 265.12695885890884 8.393177 933 Sample_08_pos.mzML 31475.557 0 365.105201429741 8.39588 934 Sample_08_pos.mzML 45789.152 0 157.16978702908858 8.416748 935 Sample_08_pos.mzML 17581.68 0 205.11817679551444 8.449443 936 Sample_08_pos.mzML 46118.344 0 166.0531984049978 8.511632 937 Sample_08_pos.mzML 0.0 0 210.01689084731828 8.517229 938 Sample_08_pos.mzML 48780.473 0 574.1288443930529 8.598261 939 Sample_08_pos.mzML 99994.67 0 188.03499184859004 8.604352 940 Sample_08_pos.mzML 35228.83 0 166.05302736240878 8.598813 941 Sample_08_pos.mzML 0.0 0 147.07628217729822 8.606629 942 Sample_08_pos.mzML 0.0 0 169.0581892689462 8.606629 944 Sample_08_pos.mzML 131533.44 0 175.10751430696803 8.61571 945 Sample_08_pos.mzML 190991.97 0 258.14458594133026 8.616849 949 Sample_08_pos.mzML 634069.94 0 106.0497993519311 8.619147 951 Sample_08_pos.mzML 77962.5 0 227.09996497608665 8.619727 953 Sample_08_pos.mzML 100112.05 0 365.1050858603464 8.622464 954 Sample_08_pos.mzML 76671.84 0 277.03801398466214 8.624969 957 Sample_08_pos.mzML 515928.1 0 230.1133787668119 8.627342 958 Sample_08_pos.mzML 106867.27 0 150.01357254868546 8.627431 964 Sample_08_pos.mzML 178071.22 0 268.12651808851587 8.64582 965 Sample_08_pos.mzML 89530.98 0 246.14460651871127 8.647682 966 Sample_08_pos.mzML 59276.07 0 118.0860713755489 8.666564 970 Sample_08_pos.mzML 128320.85 0 331.0597083994683 8.728163 971 Sample_08_pos.mzML 344897.53 0 177.02446857919654 8.73112 974 Sample_08_pos.mzML 627755.8 0 155.04258957375788 8.740393 975 Sample_08_pos.mzML 534239.2 0 230.1133464625389 8.74039 979 Sample_08_pos.mzML 946018.0 0 133.0606595880094 8.745018 980 Sample_08_pos.mzML 259410.53 0 286.15069933735964 8.763644 982 Sample_08_pos.mzML 244651.2 0 247.12860338588263 8.766978 988 Sample_08_pos.mzML 139701.95 0 361.1977693027184 8.791953 994 Sample_08_pos.mzML 1095621.1 0 296.0656615542094 8.852614 995 Sample_08_pos.mzML 4028410.2 0 280.0918526920189 8.8539295 998 Sample_08_pos.mzML 1630232.5 0 537.1943231163153 8.85701 999 Sample_08_pos.mzML 1272183.1 0 259.11326523868405 8.8587675 1003 Sample_08_pos.mzML 14933365.0 0 258.1099364516471 8.860084 1009 Sample_08_pos.mzML 26260.557 0 153.07693685054173 8.865781 1016 Sample_08_pos.mzML 436881.88 0 322.1869685406384 8.8856325 1019 Sample_08_pos.mzML 317186.8 0 348.0696595688975 8.905177 1020 Sample_08_pos.mzML 210809.55 0 156.14936280240056 8.929667 1023 Sample_08_pos.mzML 338109.8 0 255.14499651185736 8.961529 1026 Sample_08_pos.mzML 216159.16 0 198.0847628014792 8.995751 1027 Sample_08_pos.mzML 104224.64 0 176.1027959719887 8.99959 1029 Sample_08_pos.mzML 1516745.5 0 288.2028931457914 9.03741 1030 Sample_08_pos.mzML 185030.45 0 289.2065919245926 9.038054 1031 Sample_08_pos.mzML 118940.055 0 168.076587656824 9.039931 1033 Sample_08_pos.mzML 235169.05 0 229.12936404392448 9.058728 1034 Sample_08_pos.mzML 120123.31 0 251.11128458048435 9.060653 1036 Sample_08_pos.mzML 223909.92 0 294.18102755142905 9.065932 1039 Sample_08_pos.mzML 63073.008 0 258.1447309396798 9.109013 1040 Sample_08_pos.mzML 37152.695 0 365.1052316626935 9.099115 1043 Sample_08_pos.mzML 50118.793 0 258.14458259952363 9.161549 1045 Sample_08_pos.mzML 141702.47 0 216.0629531114795 9.191652 1048 Sample_08_pos.mzML 112046.94 0 238.04483266653563 9.194025 1051 Sample_08_pos.mzML 427433.06 0 269.1604872451791 9.198629 1053 Sample_08_pos.mzML 3131381.5 0 260.19665861930304 9.201791 1054 Sample_08_pos.mzML 390109.78 0 261.20006499413546 9.202691 1067 Sample_08_pos.mzML 451166.12 0 149.06356867672196 9.225198 1069 Sample_08_pos.mzML 1189086.1 0 130.04972503456412 9.2256365 1071 Sample_08_pos.mzML 8198405.0 0 148.06031941955982 9.226085 1079 Sample_08_pos.mzML 3359085.2 0 288.2028125859761 9.241891 1085 Sample_08_pos.mzML 374382.6 0 221.112942320711 9.250683 1096 Sample_08_pos.mzML 327852.0 0 366.10847337323975 9.300052 1099 Sample_08_pos.mzML 2593738.8 0 365.1051586729516 9.302187 1100 Sample_08_pos.mzML 50863.246 0 118.08606206806408 9.277427 1102 Sample_08_pos.mzML 222195.45 0 360.149656817636 9.311521 1107 Sample_08_pos.mzML 270776.72 0 359.26492669564453 9.318966 1111 Sample_08_pos.mzML 1374876.8 0 260.1967063364553 9.344571 1112 Sample_08_pos.mzML 168854.45 0 261.2001203040639 9.346213 1113 Sample_08_pos.mzML 41176.152 0 433.0925277310742 9.346755 1118 Sample_08_pos.mzML 214017.45 0 345.22421788168214 9.386636 1121 Sample_08_pos.mzML 596385.8 0 203.1501620783906 9.454228 1122 Sample_08_pos.mzML 82481.67 0 188.1755993548724 9.460129 1124 Sample_08_pos.mzML 147917.12 0 294.16712720772256 9.486702 1125 Sample_08_pos.mzML 90241.4 0 335.0339660433254 9.493368 1126 Sample_08_pos.mzML 176908.55 0 313.0520546222224 9.502534 1127 Sample_08_pos.mzML 130055.19 0 289.206630553843 9.5099125 1128 Sample_08_pos.mzML 1092295.6 0 288.2029258528593 9.509217 1131 Sample_08_pos.mzML 183955.03 0 218.18619761371053 9.525903 1132 Sample_08_pos.mzML 78613.33 0 306.06162796412696 9.547405 1133 Sample_08_pos.mzML 102746.29 0 188.17558642399584 9.518045 1134 Sample_08_pos.mzML 84365.3 0 260.1967002040386 9.570424 1135 Sample_08_pos.mzML 21885.781 0 306.1592562972893 9.571097 1136 Sample_08_pos.mzML 599188.1 0 284.0796833657358 9.646189 1137 Sample_08_pos.mzML 63822.117 0 324.0588200527568 9.649519 1138 Sample_08_pos.mzML 91720.04 0 219.09737415252712 9.655475 1139 Sample_08_pos.mzML 177183.27 0 148.0602834766663 9.6562 1141 Sample_08_pos.mzML 81649.875 0 154.01670024274702 9.662093 1143 Sample_08_pos.mzML 28465.277 0 195.04322321426469 9.665049 1144 Sample_08_pos.mzML 260423.84 0 290.1344649431372 9.675607 1145 Sample_08_pos.mzML 230119.12 0 283.04150739594115 9.690609 1149 Sample_08_pos.mzML 119272.28 0 207.0973923543056 9.729797 1150 Sample_08_pos.mzML 72761.19 0 308.09087390128616 9.73265 1151 Sample_08_pos.mzML 48309.484 0 613.1510753489329 9.735156 1155 Sample_08_pos.mzML 50358.574 0 317.2180748441611 9.774086 1157 Sample_08_pos.mzML 355555.12 0 260.1966837829511 9.806193 1159 Sample_08_pos.mzML 91138.71 0 345.2493190320606 9.83373 1163 Sample_08_pos.mzML 152541.33 0 282.1180701017672 9.848723 1164 Sample_08_pos.mzML 221689.69 0 219.0973471625064 9.852621 1165 Sample_08_pos.mzML 168130.02 0 248.12386819185812 9.854269 1167 Sample_08_pos.mzML 267401.9 0 262.90666776551785 9.858233 1168 Sample_08_pos.mzML 124713.07 0 284.0795670488393 9.863204 1171 Sample_08_pos.mzML 1353927.5 0 134.04468296663256 9.863805 1172 Sample_08_pos.mzML 174870.05 0 142.94789363209495 9.862807 1174 Sample_08_pos.mzML 199341.33 0 249.107884486856 9.871725 1175 Sample_08_pos.mzML 909684.94 0 274.18716937581314 9.873346 1181 Sample_08_pos.mzML 227779.78 0 338.1819343706756 9.884996 1185 Sample_08_pos.mzML 204641.9 0 175.14390259797082 9.938897 1187 Sample_08_pos.mzML 6754057.5 0 156.07665515382126 9.965302 1188 Sample_08_pos.mzML 182777.84 0 178.05845818353518 9.965835 1189 Sample_08_pos.mzML 372219.72 0 110.07110800895867 9.96585 1192 Sample_08_pos.mzML 439463.78 0 157.07990648632463 9.970797 1195 Sample_08_pos.mzML 330695.7 0 246.1809879902873 9.996257 1201 Sample_08_pos.mzML 104285.06 0 299.0363071280015 10.030114 1205 Sample_08_pos.mzML 151965.81 0 310.17584025335856 10.059572 1206 Sample_08_pos.mzML 106104.27 0 190.1628070441479 10.089722 1207 Sample_08_pos.mzML 1220802.0 0 189.15962556992508 10.091929 1208 Sample_08_pos.mzML 122500.08 0 275.1908113067463 10.101804 1209 Sample_08_pos.mzML 1183201.8 0 274.18718518067203 10.102931 1211 Sample_08_pos.mzML 547164.8 0 364.0649234803579 10.105504 1216 Sample_08_pos.mzML 559500.3 0 227.11370840600603 10.148948 1219 Sample_08_pos.mzML 66896.77 0 195.0254494451458 10.179174 1220 Sample_08_pos.mzML 524928.1 0 323.0839267608916 10.180491 1224 Sample_08_pos.mzML 241806.42 0 237.05378657328663 10.185353 1229 Sample_08_pos.mzML 143320.44 0 259.12865594655494 10.204153 1234 Sample_08_pos.mzML 39413.637 0 235.09230901827425 10.252195 1239 Sample_08_pos.mzML 173320.84 0 472.2874612980231 10.308299 1242 Sample_08_pos.mzML 17857160.0 0 175.11882033505466 10.356683 1243 Sample_08_pos.mzML 593271.5 0 349.23023603947246 10.357158 1244 Sample_08_pos.mzML 201242.7 0 371.2121607007718 10.357639 1246 Sample_08_pos.mzML 1144351.4 0 176.12211343714353 10.358672 1249 Sample_08_pos.mzML 316625.34 0 197.1006803958095 10.360531 1251 Sample_08_pos.mzML 324255.5 0 130.09729229124068 10.370269 1252 Sample_08_pos.mzML 516700.78 0 246.18095223184145 10.376628 1254 Sample_08_pos.mzML 33911.36 0 364.0649180883176 10.324018 1256 Sample_08_pos.mzML 80273.13 0 272.1714484795354 10.424933 1258 Sample_08_pos.mzML 249356.58 0 257.1242348570159 10.465497 1259 Sample_08_pos.mzML 115992.33 0 285.2030842021909 10.469291 1260 Sample_08_pos.mzML 131861.9 0 156.0765780966775 10.469985 1261 Sample_08_pos.mzML 220378.22 0 442.74712460313145 10.470643 1263 Sample_08_pos.mzML 125822.195 0 347.228682719869 10.512813 1264 Sample_08_pos.mzML 123790.914 0 303.20249423925924 10.522915 1266 Sample_08_pos.mzML 193455.48 0 213.09809375538885 10.5390005 1267 Sample_08_pos.mzML 43589.242 0 589.1399646335841 10.551182 1271 Sample_08_pos.mzML 84809.766 0 156.07656270160743 10.643449 1272 Sample_08_pos.mzML 1177689.2 0 175.11883104950437 10.63616 1276 Sample_08_pos.mzML 450999.9 0 148.11599366591082 10.651277 1278 Sample_08_pos.mzML 150897.9 0 191.07647587262292 10.651727 1279 Sample_08_pos.mzML 1317186.2 0 130.0861855729082 10.652225 1280 Sample_08_pos.mzML 228952.42 0 84.08064494962149 10.652238 1281 Sample_08_pos.mzML 7104705.5 0 147.1127199612054 10.652242 1283 Sample_08_pos.mzML 132636.88 0 169.09453102570544 10.654132 1289 Sample_08_pos.mzML 182836.83 0 244.16534762312872 10.664137 1290 Sample_08_pos.mzML 65723.72 0 257.1969723050618 10.6713915 1293 Sample_08_pos.mzML 847775.7 0 133.09706985780863 10.722098 1295 Sample_08_pos.mzML 370768.3 0 116.07050095631276 10.722583 1296 Sample_08_pos.mzML 91476.95 0 489.2762008111585 10.794624 1298 Sample_08_pos.mzML 339773.0 0 175.11881153058343 10.751388 1310 Sample_08_pos.mzML 926500.0 0 304.03932259922425 10.842536 1317 Sample_08_pos.mzML 2503258.8 0 283.06144442783113 10.857608 1318 Sample_08_pos.mzML 1317115.5 0 563.1074885117305 10.858048 1320 Sample_08_pos.mzML 31031138.0 0 282.05750541230793 10.858509 1321 Sample_08_pos.mzML 2658780.2 0 284.0531507149704 10.858556 1324 Sample_08_pos.mzML 728059.75 0 163.05334706421047 10.861239 1330 Sample_08_pos.mzML 1017560.06 0 237.0359682970429 10.877342 1334 Sample_08_pos.mzML 109041.15 0 175.1187171353388 10.861039 1336 Sample_08_pos.mzML 46349.715 0 241.03078940211464 10.946838 1342 Sample_08_pos.mzML 1658913.4 0 246.1559001157775 10.92701 1345 Sample_08_pos.mzML 151859.86 0 247.15931781669644 10.927976 1346 Sample_08_pos.mzML 165433.98 0 243.1085915333856 10.930374 1348 Sample_08_pos.mzML 626039.9 0 163.0534682624983 10.963395 1349 Sample_08_pos.mzML 135577.38 0 241.0308201955841 10.969333 1350 Sample_08_pos.mzML 37196.258 0 158.91554905353604 10.985007 1352 Sample_08_pos.mzML 32878.344 0 284.0795279906775 11.007104 1353 Sample_08_pos.mzML 55524.6 0 285.1191553590796 11.007634 1354 Sample_08_pos.mzML 115241.14 0 218.14977569757968 11.019916 1355 Sample_08_pos.mzML 1027764.9 0 276.1666669024399 11.127444 1356 Sample_08_pos.mzML 100033.02 0 277.17032556111366 11.130445 1360 Sample_08_pos.mzML 56841.97 0 270.11951370352017 11.143098 1361 Sample_08_pos.mzML 39192.62 0 477.7683038765202 11.143561 1362 Sample_08_pos.mzML 575340.75 0 218.149918302188 11.197883 1364 Sample_08_pos.mzML 93533.62 0 175.11883005279304 11.212697 1365 Sample_08_pos.mzML 176412.48 0 248.16044847300984 11.214851 1366 Sample_08_pos.mzML 127241.04 0 241.03097143373472 11.219297 1367 Sample_08_pos.mzML 595350.56 0 232.14043462663736 11.221642 1369 Sample_08_pos.mzML 171316.31 0 282.057543479596 11.168553 1370 Sample_08_pos.mzML 102136.055 0 313.18703563912146 11.3278265 1371 Sample_08_pos.mzML 17355.303 0 248.1605684094749 11.336497 1374 Sample_08_pos.mzML 370783.72 0 277.1390483125494 11.51134 1376 Sample_08_pos.mzML 23211.508 0 278.1423901329732 11.513539 1377 Sample_08_pos.mzML 282065.0 0 282.057449726996 11.514416 1378 Sample_08_pos.mzML 543513.44 0 304.16126122413266 11.517955 1388 Sample_08_pos.mzML 1026191.5 0 262.1506913923568 11.531592 1389 Sample_08_pos.mzML 705765.8 0 204.13402659101504 11.532012 1407 Sample_08_pos.mzML 1216907.5 0 276.1550226035785 11.559689 1409 Sample_08_pos.mzML 119154880.0 0 241.03094338850485 11.5610075 1415 Sample_08_pos.mzML 10454444.0 0 243.02678201103345 11.562327 1426 Sample_08_pos.mzML 540460.1 0 303.1772234383022 11.568047 1437 Sample_08_pos.mzML 1231385.5 0 251.166119732511 11.585159 1457 Sample_08_pos.mzML 1053697.0 0 275.1710225348117 11.613685 1466 Sample_08_pos.mzML 2796358.0 0 263.0128023889946 11.642216 1469 Sample_08_pos.mzML 198002.89 0 278.98660980913854 11.648937 1471 Sample_08_pos.mzML 391356.94 0 396.2363286809719 11.677346 1473 Sample_08_pos.mzML 2066558.4 0 234.1446648417694 11.690246 1485 Sample_08_pos.mzML 1688338.5 0 261.15555602427605 11.726382 1487 Sample_08_pos.mzML 617835.25 0 289.1616430518823 11.733912 1488 Sample_08_pos.mzML 31024.254 0 182.9849459620996 11.736179 1492 Sample_08_pos.mzML 120814.35 0 304.02686844036094 11.8071165 1499 Sample_08_pos.mzML 245794.23 0 151.03510544906462 11.850545 1503 Sample_08_pos.mzML 558226.4 0 278.9867347050311 11.727371 1509 Sample_08_pos.mzML 434548.0 0 304.0269243781329 11.844499 1510 Sample_08_pos.mzML 789341.3 0 151.03514920449794 11.8673315 1515 Sample_08_pos.mzML 151103.23 0 376.2189013075872 11.939273 1521 Sample_08_pos.mzML 58076.99 0 473.3444755147893 12.102442 1522 Sample_08_pos.mzML 62760.965 0 298.05247964856613 12.136988 1523 Sample_08_pos.mzML 50407.605 0 173.13408485930873 12.497563 1524 Sample_08_pos.mzML 34381.47 0 427.0952727376404 12.633031 1525 Sample_08_pos.mzML 5334.8574 0 182.98494465025965 12.898163 1527 Sample_08_pos.mzML 2252691.5 0 167.01271717741983 12.917134 1528 Sample_08_pos.mzML 606586.06 0 255.94395639690367 12.917243 1530 Sample_08_pos.mzML 245500.03 0 385.9017133531906 12.921013 1531 Sample_08_pos.mzML 327711.47 0 143.99665492800966 12.922867 1533 Sample_08_pos.mzML 1430300.6 0 125.98620278672723 12.925508 1536 Sample_08_pos.mzML 276784.06 0 282.9047940378916 12.953278 1539 Sample_08_pos.mzML 58786.875 0 491.7875226546853 13.435786 1540 Sample_08_pos.mzML 69369.4 0 167.01272908201915 14.068723 1541 Sample_08_pos.mzML 0.0 0 241.03094812769385 14.083734 1542 Sample_08_pos.mzML 0.0 0 125.9861272213276 14.077281 1543 Sample_08_pos.mzML 12310.509 0 241.03092328785684 14.2579565 1544 Sample_08_pos.mzML 45436.67 0 125.98610652607104 14.2632475 1545 Sample_08_pos.mzML 483080.28 0 125.9860987016528 14.282119 1546 Sample_08_pos.mzML 1006927.2 0 167.01266837053672 14.29509 1547 Sample_08_pos.mzML 19438.18 0 241.03092878208284 14.737781 1548 Sample_08_pos.mzML 19568.402 0 241.03095848676367 15.381517 1549 Sample_08_pos.mzML 22020.832 0 241.03092431621664 15.560758 1550 Sample_08_pos.mzML 74796.04 0 125.98607678073093 19.125986 1551 Sample_08_pos.mzML 73906.17 0 125.986068468798 19.237349 nf_output/clustering/featuretable_reformated.csv0000644000000000000000000030333314777454540021374 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,Sample_11_pos.mzML Peak area,Sample_12_pos.mzML Peak area,Sample_01_pos.mzML Peak area,Sample_07_pos.mzML Peak area,Sample_06_pos.mzML Peak area,Sample_05_pos.mzML Peak area,Sample_10_pos.mzML Peak area,Sample_03_pos.mzML Peak area,Sample_09_pos.mzML Peak area,Sample_02_pos.mzML Peak area,Sample_04_pos.mzML Peak area,Sample_08_pos.mzML Peak area,Unnamed: 25 1,124.08669564836464,0.884114,area,,,,,,,,,,,43904.67,57226.977,27968.102,58173.035,54953.96,51670.75,64512.05,52061.613,59588.06,52943.96,56759.97,55582.973, 2,709.5135709142155,0.9277029,area,,,,,,,,,,,17198.719,31573.645,0.0,67907.555,5536.063,0.0,4053.6306,12420.074,8746.409,0.0,4806.8945,8359.52, 3,708.5102830575064,0.92855316,area,,,,,,,,,,,42203.266,71124.27,11439.169,154371.94,21333.578,13418.778,20339.35,34814.14,34588.707,10255.367,17799.361,28601.4, 4,680.4788218943072,0.94213986,area,,,,,,,,,,,18823.59,38543.3,5790.9795,94929.05,4131.689,6177.911,0.0,13473.955,4580.6396,1141.4458,1487.882,1341.4397, 5,663.4525341847894,0.94251555,area,,,,,,,,,,,18665.426,42656.492,2205.8813,101330.18,2865.459,4847.8257,0.0,14470.799,11248.736,4448.5273,4061.0554,6260.0615, 8,124.0866635483428,0.9758523,area,,,,,,,,,,,78823.64,8689.508,43744.074,13503.268,70059.83,13398.545,16444.629,37396.07,73141.234,8999.278,14284.227,71923.14, 13,338.3410184191165,0.94918865,area,,,,,,,,,,,190540.06,197846.11,1616.6956,113597.05,51498.22,31812.002,43312.86,2405.689,25206.81,6694.9067,65807.56,65106.65, 14,228.19530207513023,0.9487448,area,,,,,,,,,,,123749.67,198267.61,8979.551,122359.266,25081.357,10972.593,47481.184,9692.411,14685.248,10865.268,59776.117,28821.422, 15,431.3836089366016,0.94785005,area,,,,,,,,,,,140684.92,187895.39,4242.183,114362.74,33515.973,18561.693,54513.094,5913.5967,28206.006,9055.099,72214.195,45876.105, 16,171.14883588649835,0.96850353,area,,,,,,,,,,,36768.062,71786.1,11996.025,24593.648,35204.477,8332.721,6426.2246,43393.973,7410.791,52616.105,4120.9663,8511.948, 18,392.253772671759,0.95138794,area,,,,,,,,,,,266606.94,247294.33,495374.4,252673.27,331622.9,556396.25,203336.55,262125.23,401645.88,318860.2,292759.34,319129.1, 19,144.98179283118262,0.9658699,area,,,,,,,,,,,3383.8772,1583.8116,58958.867,3987.0166,4607.2446,7111.0967,1399.8096,15737.285,5965.1997,29421.555,8300.591,6725.105, 24,394.2890043118055,0.9663088,area,,,,,,,,,,,2801197.0,3758384.2,3603666.8,3535859.2,2751487.8,4580794.5,2234344.5,2332631.5,4294507.0,1977572.5,2092373.4,2775073.5, 25,393.2855729410101,0.9663088,area,,,,,,,,,,,12242823.0,16520493.0,16039693.0,15630460.0,12236356.0,20152930.0,9929598.0,10353007.0,18772470.0,8614024.0,10592918.0,12121710.0, 27,377.2624336443359,0.96850294,area,,,,,,,,,,,770273.9,1003926.7,936865.7,956557.3,763590.3,1227497.5,605844.25,607592.9,1128176.4,489871.22,552174.7,754183.4, 34,376.2589851838652,0.9727521,area,,,,,,,,,,,3328166.2,4346318.5,4181857.5,4282872.0,3324012.0,5332884.0,2698506.8,2702093.8,5126024.0,2255461.2,43670.41,3297584.8, 38,421.31661595485554,0.9779623,area,,,,,,,,,,,1526016.9,1913432.6,1426609.2,2197011.8,1585551.8,1843502.2,1617144.1,1245481.2,70211.54,40680.64,261795.0,1677755.6, 39,88.07551193113026,0.97947496,area,,,,,,,,,,,222975.27,221940.52,207998.67,204191.97,34755.477,182553.98,74971.17,236688.72,106955.98,28725.873,108328.0,203648.66, 53,124.08666138918748,0.993165,area,,,,,,,,,,,87130.625,89759.33,21890.355,25797.7,53615.17,13398.545,22586.02,96117.62,16831.457,82507.48,87524.14,28863.416, 56,377.2624197988114,0.9718469,area,,,,,,,,,,,29960.107,953386.3,903586.9,956557.3,737951.06,1174255.5,477761.25,518646.3,1128176.4,489871.22,552174.7,733154.7, 59,432.2372666227246,1.0112926,area,,,,,,,,,,,169823.06,292937.75,149590.78,515323.3,149420.6,42798.016,194447.7,291821.8,70542.58,55196.73,46048.82,136367.5, 62,421.3166253437647,0.97587925,area,,,,,,,,,,,113629.32,1718218.8,1333803.1,2192312.0,1301149.4,54001.418,428502.3,960428.1,2047490.1,928506.2,261795.0,1587264.8, 63,387.179513993051,1.0174752,area,,,,,,,,,,,105654.46,167594.23,109979.81,253893.95,82647.66,34332.105,96510.12,179512.47,46601.21,41523.293,34675.65,71077.01, 64,404.206042018552,1.0174752,area,,,,,,,,,,,115987.055,181082.1,125761.13,255987.78,87768.18,41797.906,107678.94,190432.95,56916.836,50234.523,38405.54,77056.31, 66,88.07550968410891,0.9884599,area,,,,,,,,,,,22938.926,49054.406,55043.598,49023.035,34755.477,19184.863,37326.676,49369.145,78632.625,28725.873,88335.41,96462.586, 67,394.2889108048021,0.9842202,area,,,,,,,,,,,132404.44,3533270.0,1919839.6,3532349.0,2633014.5,71206.27,1285338.9,1951392.4,83314.32,53799.254,2090196.9,2681725.5, 68,351.23847785630625,1.0211498,area,,,,,,,,,,,53599.016,56463.01,33353.56,73826.086,40553.75,33980.742,45842.688,39268.75,39665.61,22369.787,20785.303,42821.805, 70,393.2854598750544,0.9889083,area,,,,,,,,,,,650581.7,15466023.0,8396710.0,15580053.0,11680862.0,432626.03,5684310.0,8573582.0,444512.53,273380.12,172116.34,11628455.0, 73,376.25890207776246,0.99538916,area,,,,,,,,,,,147673.61,3902423.0,1812945.0,4239806.0,3096444.0,99496.87,1942488.0,2509026.2,94622.74,59114.094,14553.1,3133004.0, 74,288.2529471652366,1.0429213,area,,,,,,,,,,,0.0,1691.541,0.0,5686.3833,0.0,3154.7139,0.0,36154.64,11397.434,17263.814,1727.4382,0.0, 75,331.0807619477385,1.0405952,area,,,,,,,,,,,20606.285,15556.494,24148.004,20082.781,19503.145,18908.857,21164.818,19972.996,18599.85,23303.143,16775.693,21561.754, 77,326.3776187676901,1.0575842,area,,,,,,,,,,,67368.61,67251.67,64923.676,159569.58,31202.688,67339.08,92421.9,32524.805,66050.61,15785.725,53402.363,22439.314, 78,171.14889188727136,1.0486741,area,,,,,,,,,,,80531.6,48490.105,127482.25,33129.707,5328.3135,17413.586,11135.347,58862.918,42533.95,90809.64,107989.305,59930.508, 79,327.3810916038047,1.0591878,area,,,,,,,,,,,11860.268,12206.758,10842.615,36692.32,1636.8005,11574.729,17246.76,0.0,13483.651,0.0,8005.87,0.0, 80,163.13257303241096,1.0823013,area,,,,,,,,,,,25714.828,19057.283,35410.066,20513.41,13771.415,18418.234,15427.586,25687.33,22980.943,10438.929,21649.691,21085.586, 81,393.2854036509345,1.0183046,area,,,,,,,,,,,634669.3,1006525.7,728345.75,59634.273,513720.1,986775.4,1646992.6,1339473.5,410126.22,273380.12,89575.766,395858.94, 83,244.19042376052332,1.0973613,area,,,,,,,,,,,140118.27,188625.73,92197.555,80036.94,100921.32,92649.445,197556.89,73245.04,150846.95,72701.86,171314.75,190101.42, 84,226.1798566023925,1.0981086,area,,,,,,,,,,,149889.66,201699.14,91535.58,82710.62,102298.836,101268.055,210367.25,74791.89,163164.11,69412.41,186741.69,190928.22, 85,266.17230843797444,1.0986773,area,,,,,,,,,,,76975.85,96741.33,52821.96,39446.87,52399.992,55091.23,105136.65,36918.434,87734.914,31650.178,98313.14,96570.48, 86,227.1831032067456,1.0987782,area,,,,,,,,,,,16401.393,24116.559,8479.439,6498.056,10041.278,8098.915,25384.9,3875.3872,19644.02,4156.958,21231.064,22331.086, 87,304.29949433328,1.1027321,area,,,,,,,,,,,37309.28,35215.727,39147.977,52384.445,19939.662,40382.44,46488.953,97612.77,46446.117,8132.34,43756.07,10035.899, 88,305.30293167052633,1.1067916,area,,,,,,,,,,,1900.8491,3776.6125,5622.4346,7549.3574,0.0,4005.5293,6850.1816,18320.037,6700.3887,0.0,6054.791,0.0, 92,251.18498943129944,1.1416863,area,,,,,,,,,,,16380.995,27546.16,43879.02,20300.996,22159.203,31285.414,23514.008,29586.955,39175.086,13198.384,26618.875,22623.486, 93,124.08670965523844,1.1556855,area,,,,,,,,,,,56171.094,56316.38,93929.32,22783.365,48766.137,46249.203,44446.95,33613.03,58757.953,13904.9795,61435.816,45091.7, 94,216.0559227001227,1.1569017,area,,,,,,,,,,,20813.043,18021.447,23826.932,11131.778,22540.055,23070.883,19596.693,21563.805,22257.693,9328.548,21131.719,15728.675, 95,214.04970061718825,1.1580465,area,,,,,,,,,,,3099652.0,2913430.5,3495859.0,2057789.9,3546798.5,3335476.0,3265320.8,3394044.2,3318521.0,1570992.2,3483313.8,2486987.8, 97,215.0529211514825,1.1586148,area,,,,,,,,,,,387732.62,365121.16,444314.1,254226.78,448476.0,415770.16,413019.53,427807.25,421256.75,195791.92,439669.97,314215.22, 98,212.14716102940864,1.1687001,area,,,,,,,,,,,47265.434,43412.17,16909.648,9200.447,35298.12,43286.055,41267.926,34029.48,41218.9,6518.1553,43040.59,24818.598, 99,258.2788169776792,1.167492,area,,,,,,,,,,,3279.8098,196825.36,4632.55,20532.46,14761.291,0.0,4348.1133,3507.8555,0.0,6122.629,11657.385,0.0, 100,88.07553334535379,1.1669827,area,,,,,,,,,,,119432.4,121868.945,88766.875,104262.66,104889.55,123014.33,103137.12,128740.05,121118.22,73968.09,123164.27,104672.086, 101,180.10163704706503,1.1693052,area,,,,,,,,,,,39077.41,37495.008,49418.945,26381.664,38359.848,38519.855,35909.82,40176.38,42025.734,15943.524,39439.066,27642.889, 102,259.28220830541363,1.1698533,area,,,,,,,,,,,0.0,31307.352,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 103,211.143882330612,1.1725975,area,,,,,,,,,,,413209.2,396896.16,461861.53,291886.8,383027.78,398120.6,378499.0,393667.75,394566.2,180945.7,397622.47,298227.03, 104,367.2087928080393,1.1786896,area,,,,,,,,,,,53515.117,39800.1,66500.58,24009.896,65799.71,60390.645,58554.633,67514.34,50398.82,21089.404,66479.586,44249.53, 106,164.07039862833477,1.1870936,area,,,,,,,,,,,17960.531,15975.387,22999.66,12198.826,19239.453,23849.803,20576.854,19268.232,21904.58,6881.3125,19384.846,13421.412, 107,245.1281492380409,1.1915327,area,,,,,,,,,,,17928.541,18265.1,53409.707,13689.339,27348.8,34988.105,16445.852,31357.938,46241.88,11432.27,18356.252,14706.138, 108,284.13905400436323,1.1924504,area,,,,,,,,,,,22371.252,21323.457,17887.61,18773.445,21302.246,15385.895,20197.457,20105.854,22899.203,6706.6045,21122.752,17113.129, 110,230.2476229409027,1.208052,area,,,,,,,,,,,18514.877,475698.75,14101.137,48258.656,30223.078,9627.874,19932.81,19315.125,14452.32,34278.86,72782.51,9690.144, 111,231.2509189682441,1.2119467,area,,,,,,,,,,,0.0,69616.11,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6627.031,0.0, 113,245.1282150522416,1.2145875,area,,,,,,,,,,,33018.02,29516.506,35249.887,21586.324,29079.662,34988.105,26874.08,32938.24,30229.8,11432.27,29174.09,17875.402, 114,197.1282601988709,1.232969,area,,,,,,,,,,,45860.918,46084.773,54416.668,28592.947,42739.285,47240.97,38783.566,45977.895,43966.08,20338.111,42975.27,23405.611, 115,200.23706200725795,1.2285993,area,,,,,,,,,,,0.0,7966.6553,26563.53,0.0,4242.7583,9173.298,4142.8896,10581.008,9798.116,2019.7786,3713.7605,0.0, 116,402.3573877818645,1.2316772,area,,,,,,,,,,,11814.967,9719.207,14208.769,3333.9785,1647.7867,18693.5,3665.6626,38171.137,22918.758,6112.243,25334.65,25695.04, 117,144.04758008856655,1.2390124,area,,,,,,,,,,,12818.23,10883.636,26281.291,6804.9307,12672.988,20908.736,12468.142,14119.7,19873.354,3785.315,13224.051,5856.7227, 119,284.1390667992057,1.1856359,area,,,,,,,,,,,22371.252,21323.457,23378.13,18773.445,19899.637,20919.67,13308.573,20105.854,22899.203,6706.6045,21122.752,17113.129, 120,110.05986025284652,1.3090072,area,,,,,,,,,,,71123.26,57153.855,25219.293,55620.812,17649.195,20939.025,16992.389,75318.32,17489.9,34454.53,17703.11,48837.996, 121,156.10173858023458,1.2697691,area,,,,,,,,,,,73294.09,42427.848,22683.6,13128.09,134783.4,18845.174,122997.06,133524.25,20949.088,61784.758,129419.01,56052.42, 122,590.2061363974616,1.27046,area,,,,,,,,,,,22672.969,25209.959,28706.54,22074.957,23844.328,33144.383,23901.873,22965.336,29101.53,7006.4253,23571.871,16333.809, 123,138.09113936072484,1.286875,area,,,,,,,,,,,11144.289,5782.9673,20198.627,7850.112,16395.71,16417.629,16147.542,17295.879,15835.607,6217.0674,15889.242,7603.4336, 124,96.0442997411288,1.286875,area,,,,,,,,,,,154729.64,116672.49,165895.78,69729.195,159885.84,154242.16,153545.73,162968.95,139956.89,65365.41,168170.84,80400.57, 125,162.06601688304164,1.2898526,area,,,,,,,,,,,60556.43,36538.2,0.0,12856.369,98286.086,0.0,80407.54,82589.17,0.0,39255.44,95192.29,41067.78, 127,170.11734099333302,1.2949688,area,,,,,,,,,,,5932.2837,7680.1226,17655.662,0.0,1574.6678,3237.734,5131.8945,92614.03,14102.17,23713.072,10957.969,0.0, 128,210.1097480469689,1.3193958,area,,,,,,,,,,,8028.8115,5388.721,18619.662,2889.3962,1800.2058,3919.063,5655.9946,92989.914,17549.744,21617.387,13146.521,0.0, 129,146.98014902199242,1.2979198,area,,,,,,,,,,,0.0,0.0,333882.6,0.0,1562.9514,0.0,0.0,82341.57,0.0,27199.777,9073.675,0.0, 130,197.12825593496416,1.2959038,area,,,,,,,,,,,45651.14,39445.2,55934.355,29020.043,43625.656,46788.6,42986.547,51424.03,40673.484,21688.83,47665.145,25170.654, 131,144.98196187706563,1.3213226,area,,,,,,,,,,,1478.6274,1580.0544,757146.56,19045.648,20128.57,18141.498,14924.704,216934.52,1441.0403,119628.805,29108.785,14461.196, 135,169.07576992147565,1.3398076,area,,,,,,,,,,,35394.59,33530.82,22469.322,25619.545,14727.936,20634.193,17661.477,22709.88,20292.473,3555.8706,22073.836,9925.38, 137,246.1519543589688,1.3437899,area,,,,,,,,,,,168716.45,186019.72,75062.65,132465.28,87800.56,83358.08,184096.5,59472.68,123498.85,73264.91,175663.48,89904.83, 138,195.11265710236808,1.3443106,area,,,,,,,,,,,41828.562,33703.953,79830.55,34628.684,37016.074,62712.406,36587.266,39698.914,42497.996,15258.407,39065.418,26205.451, 140,154.0860441472675,1.3451465,area,,,,,,,,,,,26932.639,30335.441,6217.4805,20131.785,41910.145,0.0,40123.445,52185.168,1246.2214,28836.783,58933.35,43179.453, 142,110.0598549901638,1.3488079,area,,,,,,,,,,,76904.875,65706.72,84490.33,67158.56,78464.68,96720.445,71212.15,97755.445,73719.36,39600.164,77160.29,57783.96, 148,243.14891618061824,1.3506924,area,,,,,,,,,,,75140.164,62729.977,77155.016,75269.98,69852.336,68980.68,70107.96,73682.22,67767.945,41980.703,67976.61,62322.934, 151,126.05477443803215,1.3522042,area,,,,,,,,,,,189464.27,154140.4,221198.27,184164.36,183760.16,193110.81,180654.66,176949.62,191391.64,110929.34,220058.58,188170.84, 152,100.07552017645202,1.3522406,area,,,,,,,,,,,126869.9,116780.8,131823.19,129195.484,125597.5,122510.29,126788.25,116070.16,119693.99,67313.77,130443.61,118459.66, 156,283.12204191444454,1.3535328,area,,,,,,,,,,,121059.54,104711.71,0.0,35842.062,360253.16,0.0,242645.48,322613.2,0.0,195901.45,395785.84,350717.62, 166,298.0965493713124,1.3567747,area,,,,,,,,,,,78457.0,0.0,665684.44,33834.152,0.0,533989.3,36473.727,67800.52,528973.56,0.0,0.0,0.0, 167,227.17513409439653,1.3601131,area,,,,,,,,,,,152510.5,145811.08,165828.42,163420.58,143531.19,149590.98,146336.81,146273.27,147508.08,88454.875,162388.77,148610.33, 170,239.1486489095845,1.3637681,area,,,,,,,,,,,92865.836,114507.7,103317.64,70774.56,73932.95,76663.195,93121.37,92971.375,126549.695,40065.418,94059.29,77071.56, 171,332.20810646332137,1.3653196,area,,,,,,,,,,,94544.06,111304.74,24030.77,75003.44,64874.145,41605.812,136384.56,25316.42,77813.73,54204.953,137927.97,87363.86, 173,331.2046411437328,1.3668481,area,,,,,,,,,,,599749.8,683522.8,148775.38,443496.66,393408.78,257114.52,847191.06,173292.0,494425.2,350683.8,832059.2,547076.06, 175,353.18635058440617,1.3700385,area,,,,,,,,,,,95640.88,113963.37,18673.69,74462.086,62267.836,41667.445,141404.39,23080.957,82475.87,46269.227,141775.12,85818.73, 177,124.08674078601246,1.378172,area,,,,,,,,,,,106631.49,81323.14,77500.38,80489.375,54368.49,150397.28,60034.348,70930.83,78932.38,25558.408,66627.81,62627.53, 178,123.05520806435112,1.3835589,area,,,,,,,,,,,962152.5,872824.1,1079948.1,988768.7,925466.0,925174.6,967753.9,857172.1,923595.5,622399.6,1056830.2,1005629.94, 181,224.07373638627203,1.3882531,area,,,,,,,,,,,88898.3,88220.95,77557.125,76657.125,54600.07,66789.96,61373.938,67226.28,71201.21,40497.797,92299.74,76169.73, 182,195.1224565621741,1.3905834,area,,,,,,,,,,,112479.66,149893.8,170389.81,95097.92,116637.14,116711.38,116089.23,127258.46,220082.05,78400.44,120480.67,128963.6, 184,210.1097363228984,1.3884922,area,,,,,,,,,,,7499.01,8288.139,11299.095,5273.384,5294.0234,4634.4907,8323.979,53942.67,13147.427,20511.615,10666.309,5321.218, 187,283.1220435150896,1.3583255,area,,,,,,,,,,,121059.54,104711.71,0.0,35842.062,346706.78,0.0,236181.98,312058.88,0.0,42786.22,376198.75,331745.84, 190,195.11287983767883,1.3899492,area,,,,,,,,,,,24476.838,21910.4,78817.875,23158.877,21713.38,62712.406,21523.139,18477.678,42497.996,15258.407,29435.896,25862.42, 191,249.13438273444345,1.4200606,area,,,,,,,,,,,36085.855,38061.74,57087.547,49751.51,22750.07,53572.0,19563.81,20763.797,65810.086,0.0,29284.553,38794.094, 192,105.06971063859694,1.4354923,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,44488.836,0.0,0.0,0.0, 193,393.28554314722027,1.3910813,area,,,,,,,,,,,12128.691,14624.383,9690.948,13093.441,50766.23,57138.965,27200.25,11059.081,73839.39,1855.7515,1532.3892,3709.7202, 195,124.08674995537856,1.3871161,area,,,,,,,,,,,69991.08,69712.92,68296.69,41302.332,67724.98,65832.18,74629.44,60967.297,69028.96,28505.031,82191.8,17868.344, 196,393.28567548041735,1.4236475,area,,,,,,,,,,,7476.2764,14495.381,0.0,2238.983,47697.098,21554.084,10776.287,3374.1147,17165.48,0.0,0.0,0.0, 197,151.09631717250656,1.4888855,area,,,,,,,,,,,5443.09,17925.04,27721.908,3568.9062,14210.109,12391.131,8880.816,20566.254,30892.844,0.0,14750.684,15973.709, 198,348.14383698933153,1.4761354,area,,,,,,,,,,,10548.06,13213.544,16506.23,10037.731,22628.924,16789.553,23739.133,19309.46,16106.184,6159.8584,18285.64,21095.264, 199,375.0811540275393,1.489473,area,,,,,,,,,,,23827.43,22389.768,23269.592,26937.387,25679.799,27853.172,26935.28,21604.668,24179.16,5710.1836,24152.22,29760.328, 201,353.0992471828444,1.4867625,area,,,,,,,,,,,11065.5,1629.6812,5614.8154,4071.208,14320.261,5533.7935,16654.123,13190.788,8218.251,0.0,14578.895,17244.846, 202,337.03648815326005,1.5395262,area,,,,,,,,,,,0.0,31854.824,0.0,0.0,10846.487,0.0,14770.503,0.0,0.0,0.0,32032.445,32736.043, 203,321.06256590229526,1.5395222,area,,,,,,,,,,,5347.3066,50522.7,0.0,0.0,18736.24,0.0,28409.986,0.0,0.0,0.0,55640.664,61938.82, 204,298.0966397086858,1.6940964,area,,,,,,,,,,,0.0,0.0,13014.446,0.0,0.0,49435.637,0.0,0.0,56641.676,0.0,0.0,0.0, 205,190.08951118437503,1.7135324,area,,,,,,,,,,,151159.64,210873.89,39211.125,161850.81,49572.457,136275.97,168336.19,70977.98,124130.695,43979.535,189389.6,178332.95, 206,144.98195244122175,1.9972055,area,,,,,,,,,,,0.0,1754.4418,163794.52,27345.607,8308.498,29385.621,0.0,36800.98,17649.424,0.0,32160.582,29461.441, 207,190.0894178152409,1.9916908,area,,,,,,,,,,,102043.414,104638.55,116522.26,98049.82,93805.36,107139.29,80219.36,97823.59,80677.086,58124.2,109962.2,110189.805, 208,146.08097871921322,1.9896737,area,,,,,,,,,,,23022.918,17304.777,29105.998,20563.926,23583.0,23782.371,20288.375,23172.25,20743.947,7344.5938,24348.723,27463.834, 209,267.1449176772506,1.9950703,area,,,,,,,,,,,236941.84,274789.8,420811.97,331693.66,139651.23,357347.78,108054.39,132303.4,372476.22,17917.621,133088.64,217692.84, 210,152.07041948711262,2.0314512,area,,,,,,,,,,,87768.016,96183.766,157680.34,117929.34,133244.98,131058.234,55168.25,115029.89,131307.17,48269.652,113372.67,171797.56, 211,170.08106776554337,2.0327005,area,,,,,,,,,,,2008817.9,2127553.0,3186332.2,2520790.2,2723963.2,2697177.5,1541242.4,2449934.0,2744471.8,1261406.4,2458619.8,3392081.0, 212,171.08430196994564,2.037283,area,,,,,,,,,,,156045.27,163393.83,261902.69,205382.4,219404.36,217073.48,108385.21,194046.11,222369.89,85623.67,197027.75,279483.06, 213,331.2046255896961,2.049584,area,,,,,,,,,,,55433.297,68163.1,0.0,33429.785,37273.94,16765.28,86947.68,0.0,48345.402,11253.822,88393.734,55680.98, 214,212.10276003144267,2.2255604,area,,,,,,,,,,,45608.336,33170.574,39387.62,45592.52,35303.938,34951.19,35994.707,23785.527,38952.688,12390.005,21310.578,47070.25, 215,176.07386576343754,2.2393477,area,,,,,,,,,,,366623.12,300169.16,333610.72,314238.06,250133.58,277240.4,293204.06,215600.61,315797.7,170012.52,213503.95,351737.16, 216,395.1961437435049,2.25555,area,,,,,,,,,,,0.0,0.0,0.0,179118.42,0.0,0.0,0.0,0.0,7146.0684,0.0,0.0,0.0, 217,171.07623002808543,2.4603689,area,,,,,,,,,,,25877.027,21275.164,22877.053,22014.715,18159.602,29642.953,27390.578,16203.538,31669.783,6491.1,18487.258,27460.816, 218,136.06166758377617,2.4618294,area,,,,,,,,,,,0.0,0.0,407354.94,0.0,0.0,367082.44,0.0,0.0,373304.34,0.0,0.0,0.0, 219,162.99758522735817,2.464494,area,,,,,,,,,,,44984.23,42763.926,30898.938,44160.844,27908.775,46722.812,38512.938,28013.941,46955.35,11643.154,35294.223,48569.707, 220,176.07378886026444,2.466533,area,,,,,,,,,,,63034.605,50498.062,108565.32,57946.88,49357.395,103070.15,64566.168,52193.785,87147.34,55297.758,57536.938,64836.613, 221,212.1027452521681,2.4712422,area,,,,,,,,,,,97944.336,83724.914,113386.37,93337.625,88090.21,112209.99,96792.914,84401.27,110071.33,42113.13,92531.91,103161.07, 222,234.0846850483877,2.4712543,area,,,,,,,,,,,57596.863,53381.082,65799.086,61411.78,52728.066,70136.52,62373.57,46306.957,66177.69,9762.169,55316.33,64607.414, 224,251.1500001009124,2.490054,area,,,,,,,,,,,93846.82,91653.016,112617.44,113855.375,75002.19,101128.625,108505.48,94026.78,111004.83,30511.656,100366.42,109701.02, 225,170.08096549677393,2.497286,area,,,,,,,,,,,108479.164,126062.83,222326.83,125098.38,128502.33,111642.52,87944.36,104427.91,176481.2,39009.023,129460.055,190092.9, 227,242.09971739527816,2.5311325,area,,,,,,,,,,,154373.69,130098.49,202016.81,154666.55,179845.44,174033.8,154486.27,169455.84,161733.8,66257.16,184879.33,216182.98, 228,220.11781080236509,2.5324228,area,,,,,,,,,,,367004.9,322876.78,456564.6,368985.28,406017.88,405180.78,356922.0,406199.97,400724.94,228468.86,414859.9,481222.47, 229,221.12105200530732,2.5324228,area,,,,,,,,,,,30047.365,25494.746,38899.297,29401.81,34398.52,35681.848,31628.18,33706.1,32890.414,16445.998,36093.88,42314.727, 231,137.04566565562763,2.61302,area,,,,,,,,,,,635982.8,406722.47,610533.25,646467.0,427226.1,534314.5,401352.47,559181.8,548313.25,191778.88,435117.28,496474.78, 232,167.09253949646646,2.6150174,area,,,,,,,,,,,233602.23,199318.25,245791.77,230365.16,246952.98,222230.78,221710.78,232571.84,226804.25,104890.57,219074.45,223368.56, 233,159.02756167849526,2.6262987,area,,,,,,,,,,,596183.2,352178.75,548370.0,595164.8,409281.12,539508.06,401673.44,531658.4,540598.9,119545.35,343598.47,359147.47, 234,175.00145180579432,2.6233456,area,,,,,,,,,,,305291.7,182000.14,267862.4,294108.16,213271.81,267950.7,200519.89,267833.75,271148.66,48308.695,176271.53,189186.11, 235,83.06022538821384,2.6915092,area,,,,,,,,,,,156307.25,99843.24,0.0,63082.156,58011.32,25413.314,196668.72,25312.535,44668.49,12526.395,16749.06,57968.434, 236,159.02754096432605,2.6711876,area,,,,,,,,,,,375144.84,213688.78,371126.66,382426.03,259645.0,380351.25,256042.42,323520.5,342845.4,165951.81,206922.5,190676.9, 238,269.1074820276356,2.733594,area,,,,,,,,,,,1089298.4,420206.94,1254503.1,1021712.75,986374.8,1032453.8,1053371.6,1061493.5,1047948.44,650046.94,272450.8,26172.611, 239,136.06159150189967,2.7327607,area,,,,,,,,,,,118742.805,31187.537,146300.1,111031.77,107596.48,119050.516,113195.734,116437.945,120782.95,22687.086,12952.633,0.0, 240,268.103853951424,2.735583,area,,,,,,,,,,,10517752.0,4083412.0,12204902.0,9937500.0,9567661.0,9995968.0,10208641.0,10332747.0,10152523.0,6353805.0,2678887.0,416661.56, 241,124.0867204867036,2.7465951,area,,,,,,,,,,,56348.418,55204.164,59196.375,43144.41,28621.375,16594.432,56965.855,39368.676,35488.754,12986.391,83240.82,43796.605, 242,206.04549179878435,2.7396824,area,,,,,,,,,,,51651.69,22367.295,56026.105,56732.305,61152.137,62852.188,61813.32,50645.477,65232.816,15495.725,7734.9844,11033.408, 246,169.05813466701616,2.7622888,area,,,,,,,,,,,104284.22,77672.02,111681.71,96017.77,109456.305,104351.46,114936.805,101125.93,105705.766,47927.7,93322.555,76456.52, 247,147.07620312825443,2.7634428,area,,,,,,,,,,,20279.715,16080.627,23498.887,18471.16,20400.355,20460.516,20161.754,17482.707,20457.924,3585.872,23511.404,21195.57, 249,251.14995309511343,2.8096216,area,,,,,,,,,,,109702.13,72737.24,122162.94,101270.65,121193.83,90392.44,105798.055,108514.055,94189.12,26243.508,86694.32,64438.938, 250,124.08672952186082,2.7857726,area,,,,,,,,,,,55864.977,52556.355,57154.062,59327.086,8708.659,39525.33,47270.188,18574.52,53226.496,19655.277,52565.105,24885.188, 251,166.07212983034697,2.8522704,area,,,,,,,,,,,78661.055,61696.188,77330.945,77339.7,76612.016,73773.1,80618.266,74967.95,74341.875,30149.543,61149.49,37534.7, 252,86.09628372212455,2.8936963,area,,,,,,,,,,,29497.404,16140.315,32525.227,19677.857,28728.441,49866.13,37684.23,25966.8,43697.047,14218.406,5915.5176,0.0, 253,162.0582063782167,2.922553,area,,,,,,,,,,,320714.78,234493.78,326976.06,281188.38,294370.62,314732.38,356614.88,309716.97,328690.72,237773.86,241995.2,183492.67, 254,158.08114129553522,3.0417824,area,,,,,,,,,,,39949.965,36433.836,38563.004,36726.824,41342.52,39534.18,41301.254,36829.96,40765.47,21037.803,42849.96,45212.28, 255,124.03925425687731,3.3331635,area,,,,,,,,,,,46808.074,44532.234,49157.39,46792.293,51125.844,48432.977,44010.043,48685.508,50102.254,31796.8,51537.77,131406.58, 256,131.11768354659372,3.5462894,area,,,,,,,,,,,42854.23,21538.621,15320.162,23687.652,25166.523,24349.02,70908.14,7025.01,26406.832,8323.9795,22311.08,57664.547, 259,147.03008748928804,3.6102345,area,,,,,,,,,,,185315.12,53890.035,0.0,52792.61,47638.2,23810.633,889030.3,23362.125,17958.152,21561.617,0.0,94106.53, 265,237.1342771902892,3.554259,area,,,,,,,,,,,103726.414,62106.51,36483.45,69055.43,64201.617,57917.145,130668.375,40996.7,44361.46,12348.569,28893.555,111843.58, 268,104.10690922607166,3.615613,area,,,,,,,,,,,3421684.8,1940716.1,2984333.0,2012376.1,2130931.0,2120752.8,2229887.8,1981920.0,3244411.0,595848.3,2121242.5,2401938.0, 270,105.1101628079843,3.5773337,area,,,,,,,,,,,106912.3,103847.77,152137.16,159421.47,113926.07,159986.12,124064.21,81744.0,166180.2,29723.953,112750.98,111037.63, 276,356.99219855042145,3.6094525,area,,,,,,,,,,,407098.44,118417.97,0.0,143643.14,106145.31,52011.805,974142.6,40428.36,38210.754,76425.46,0.0,227088.22, 277,257.10061043785606,3.6021051,area,,,,,,,,,,,347800.12,356322.75,440823.53,416095.6,393528.78,424564.78,337928.94,420210.03,455270.25,175339.53,527712.56,379155.78, 278,235.11878342337727,3.6104362,area,,,,,,,,,,,1567190.6,1240122.5,1274985.2,1501250.9,1447180.9,1301218.9,1578547.8,1299612.1,1278184.4,662751.75,1233070.0,1707881.6, 279,104.10691140742011,3.6254394,area,,,,,,,,,,,3021338.5,2651789.2,2753697.5,2794591.0,2960390.8,2867372.0,3030501.0,2755454.5,2984271.8,403952.6,3007283.2,3218216.2, 281,146.02691561369866,3.617239,area,,,,,,,,,,,6572443.5,2481546.0,557485.7,2633916.5,2023446.4,1433162.6,15737045.0,1183971.1,1182135.0,1074051.8,534606.9,3949713.8, 282,189.99069726862683,3.6186962,area,,,,,,,,,,,1341534.4,669765.44,190489.5,797155.0,569738.1,450252.03,2699459.0,376797.5,461871.03,388104.22,243283.62,932034.25, 284,104.10691151684348,3.6318386,area,,,,,,,,,,,2463003.8,2934031.5,2574554.2,3121528.2,3278006.0,3129488.2,3501431.0,3070359.0,2607836.5,945460.75,3441757.8,3802104.0, 285,105.11016638499711,3.6433537,area,,,,,,,,,,,119634.86,149364.2,117950.24,101286.09,167225.53,127484.86,129684.11,160847.55,122161.76,45964.63,176574.88,140884.78, 286,270.1921498403816,3.6826499,area,,,,,,,,,,,414608.8,316866.6,347809.3,417673.88,404202.06,384286.47,445863.16,353286.06,361953.6,170170.17,345135.2,377884.5, 289,307.0436219791634,3.8853528,area,,,,,,,,,,,254523.9,1352760.0,74563.91,286504.62,461695.78,106199.96,439099.75,222936.9,95830.13,157384.62,1611703.2,1927151.8, 297,291.0697298907951,3.9010928,area,,,,,,,,,,,473159.62,3400484.2,180205.19,561880.9,956835.06,221924.05,806399.25,442098.78,207622.75,339337.3,4364045.0,5113576.0, 298,257.1006228106187,3.904753,area,,,,,,,,,,,208120.97,133092.2,128544.0,200947.48,191130.81,176305.05,200662.1,200396.83,186253.55,75584.31,124379.234,123855.6, 299,270.1921248236023,3.9918861,area,,,,,,,,,,,140185.03,129262.07,119247.086,239292.03,122148.234,104554.56,246554.86,130847.17,111107.3,62204.195,245573.2,123356.35, 305,235.11874356344256,3.9848194,area,,,,,,,,,,,1177150.6,1009513.9,1109980.5,1157623.4,1116113.4,1096416.1,1191254.1,1147782.4,991243.4,500048.34,1119071.4,1055482.5, 307,146.02687268396707,3.9806588,area,,,,,,,,,,,1154298.0,560159.25,409190.94,635073.0,617359.4,460209.22,2133642.2,478580.94,340137.9,887972.7,263782.56,831031.6, 308,314.09137691435643,3.989151,area,,,,,,,,,,,221953.38,176477.39,222747.02,209240.3,217407.48,205624.19,223441.3,221057.48,188503.4,85116.76,209497.16,207219.53, 310,269.0877500718245,3.9971244,area,,,,,,,,,,,173100.95,2022073.2,84228.555,212727.14,454493.7,95108.23,316926.62,190408.9,89064.33,178340.05,3034248.8,3598140.2, 311,270.1921288646996,3.9987442,area,,,,,,,,,,,316338.47,304895.72,270516.94,277452.47,289108.6,286300.28,276195.38,320801.9,285186.03,74205.69,361604.66,374089.16, 313,137.04561392556303,4.0023994,area,,,,,,,,,,,209468.11,2410958.5,99635.74,250853.64,536645.94,116188.37,377554.66,226067.86,109458.44,213344.7,3625584.2,4383750.0, 314,268.1037209235785,4.003829,area,,,,,,,,,,,120755.83,51962.28,111874.24,85207.78,106966.945,148832.53,149603.53,118270.195,116321.38,35081.723,37029.492,21650.355, 315,163.05335215225128,4.0424848,area,,,,,,,,,,,234924.05,100876.7,48396.355,104026.39,104125.02,72983.945,710507.44,87208.11,56197.16,64551.902,48795.594,156999.52, 317,152.05653168599866,4.009559,area,,,,,,,,,,,989922.0,268288.7,1416446.2,870946.9,302522.94,1490794.4,453114.5,957503.5,1268858.1,132732.55,292287.4,297883.72, 321,148.04256672639687,4.012652,area,,,,,,,,,,,3765953.8,3703809.5,2357219.0,3483823.8,2849414.8,2303370.2,3009879.8,3468510.5,2054415.9,1560308.9,3641676.5,3631694.2, 324,213.08672615987487,4.018884,area,,,,,,,,,,,108380.14,53428.41,115543.664,78195.25,105174.914,106097.8,115968.88,122400.85,101860.7,34212.85,74772.16,65968.2, 334,245.18571573726575,4.136272,area,,,,,,,,,,,207337.4,181294.45,170975.16,195426.33,58579.273,129189.76,221023.11,83866.94,202535.66,75767.8,205263.25,103236.484, 345,134.11737910350053,4.1628757,area,,,,,,,,,,,91761.484,90169.25,99146.055,111299.77,58538.24,104613.484,151039.03,73952.195,319317.53,72148.59,114632.56,77876.266, 348,163.0533777453292,4.1968255,area,,,,,,,,,,,532982.5,251247.62,140187.95,256536.02,242085.31,190206.38,549963.0,221411.12,154670.56,64271.434,160759.62,357107.75, 349,137.04558546014155,4.19949,area,,,,,,,,,,,0.0,64068.027,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,89871.055,83522.26, 352,268.1037602942401,4.2119775,area,,,,,,,,,,,61703.28,4169.1885,55061.59,74403.164,22753.055,56889.336,64259.023,26246.738,34030.2,35241.586,4097.496,0.0, 353,229.11804065046397,4.229315,area,,,,,,,,,,,68983.55,55074.934,63268.48,55711.918,73116.72,77605.81,75722.664,64105.984,73447.51,14972.561,68658.27,77927.57, 354,245.18574102113112,4.2097106,area,,,,,,,,,,,123445.55,118063.99,108533.88,133116.05,194259.44,191713.56,147558.69,109322.39,128560.46,40402.387,127813.13,135008.7, 356,200.10278438614216,4.2574863,area,,,,,,,,,,,55222.75,45915.844,36879.883,46186.28,56605.613,52026.145,70585.555,43233.973,51469.758,9115.344,50413.668,62944.156, 357,268.1037589105309,4.217879,area,,,,,,,,,,,63966.484,4169.1885,46600.965,44645.227,30138.395,35830.07,57806.86,9575.748,18388.625,10033.309,4097.496,0.0, 358,270.1922424181455,4.279421,area,,,,,,,,,,,32608.582,18285.654,10319.663,26753.723,22215.725,24146.166,48750.438,11450.487,25116.17,0.0,20155.512,27396.67, 359,189.99075931378115,4.327314,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,81944.375,0.0,0.0,0.0,0.0,0.0, 360,134.11743645494067,4.2845025,area,,,,,,,,,,,66332.734,43112.68,35898.438,67957.836,33959.426,41298.348,138969.72,33223.934,126580.93,33416.355,32424.09,47654.32, 361,242.18611577228643,4.3433714,area,,,,,,,,,,,20938.56,0.0,0.0,0.0,0.0,0.0,51375.195,0.0,0.0,0.0,0.0,0.0, 362,304.1765208263302,4.7402077,area,,,,,,,,,,,38048.316,17954.273,0.0,28093.572,26492.957,2067.3643,33105.582,29694.342,22857.996,0.0,25579.428,35826.516, 363,172.13294299742864,4.7589955,area,,,,,,,,,,,227882.73,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 364,189.9905913432856,4.772744,area,,,,,,,,,,,10345.101,0.0,0.0,0.0,0.0,0.0,37321.094,0.0,0.0,2795.1848,0.0,2963.8423, 367,159.09139985691644,4.8108883,area,,,,,,,,,,,332936.47,305382.22,131797.97,166937.23,295644.78,281521.44,332530.66,265599.12,336717.03,70170.266,151522.34,102950.125, 371,120.08061352243423,4.8438725,area,,,,,,,,,,,1241772.9,1068194.9,1260872.2,1178841.0,1261006.9,1178622.1,1287055.2,1237386.8,1255216.8,529016.2,1254688.8,1374223.6, 372,167.08935800092092,4.845658,area,,,,,,,,,,,871252.56,745472.0,934979.1,816691.06,886462.9,821939.75,892129.75,889672.94,867817.06,395879.34,877583.5,967888.7, 373,266.07438437754746,4.819725,area,,,,,,,,,,,885033.9,756736.9,995688.8,849433.75,830732.7,917561.06,842722.2,828604.25,971345.1,199212.7,925480.25,975902.25, 375,249.0607079423268,4.8210406,area,,,,,,,,,,,497734.0,445892.72,524281.94,526368.8,476069.03,470131.2,482930.4,485734.16,506675.6,185272.39,530049.5,556191.9, 378,205.09695945152035,4.8233333,area,,,,,,,,,,,2403364.8,1998546.9,2723946.2,2373753.8,2513405.0,2460464.5,2545938.8,2568196.8,2446726.2,1655665.2,2542846.2,2735410.8, 380,188.07038343865275,4.8246927,area,,,,,,,,,,,1876194.2,1552389.2,2009785.9,1846487.1,1961508.2,1900267.1,1971822.6,1951408.2,1912580.4,386393.75,1998990.1,2124407.5, 384,188.07038967593124,4.8265615,area,,,,,,,,,,,1513782.2,1261759.5,1602007.1,1496910.6,1582801.8,1487737.0,1597133.9,1593412.4,1533176.0,496376.56,1588238.0,1693770.1, 385,266.07438495902727,4.8215938,area,,,,,,,,,,,822359.25,706325.0,910358.7,648669.6,770381.5,838925.6,786044.2,776061.44,899798.3,222050.81,851716.1,796303.6, 390,166.08609631348253,4.846532,area,,,,,,,,,,,12638581.0,10955328.0,13985201.0,12421471.0,13264823.0,13066138.0,13437430.0,13163105.0,13158746.0,8216351.5,13517199.0,14541095.0, 391,146.02679892343698,4.84755,area,,,,,,,,,,,544758.2,255417.88,66429.055,273534.38,329873.12,201768.7,1205766.0,235504.38,96080.266,229629.47,31634.965,389573.38, 392,120.08061021815044,4.850492,area,,,,,,,,,,,1732756.5,1519893.5,1830836.0,1706983.9,1834109.1,1800886.6,1859933.8,1788410.9,1826777.0,535485.8,1847842.6,2007855.6, 393,176.11331845539647,4.850525,area,,,,,,,,,,,2689922.0,2388431.5,3021863.2,2696019.5,2872173.0,2823278.8,2878920.2,2934355.5,2831787.2,1879554.6,3150068.0,3252389.2, 405,124.08671779184456,4.861618,area,,,,,,,,,,,24901.066,28168.33,10375.035,9422.923,13399.518,68559.71,14982.583,10817.849,24408.182,45471.953,13750.379,26494.752, 406,242.18597353886392,4.893828,area,,,,,,,,,,,295853.3,241066.86,298154.03,289829.06,288303.16,275065.6,289955.97,298569.94,281251.0,98363.25,319472.62,338829.62, 414,167.0893640074416,4.8583703,area,,,,,,,,,,,816747.0,756654.7,994889.9,869727.56,923895.4,961130.7,922286.4,859734.56,905220.1,393600.53,938802.44,1004640.9, 415,188.070370874549,4.853523,area,,,,,,,,,,,995602.44,890155.06,1214350.4,1081929.6,1155825.6,1202825.0,1132379.8,1084387.5,1104776.6,330976.88,1172399.2,1229301.5, 432,132.10181358254428,5.070786,area,,,,,,,,,,,7591962.0,6561873.0,7836900.0,7390276.5,7771455.0,7304004.0,7709666.5,7717674.5,7849752.0,1424556.0,7818193.0,8839483.0, 439,134.10843493246685,5.0749183,area,,,,,,,,,,,1983610.1,1923107.9,2102391.5,1989936.8,2105259.8,2035102.0,2049012.2,2088683.8,2077565.5,869976.06,2287318.0,2318614.2, 440,133.10514633013727,5.075796,area,,,,,,,,,,,36865660.0,35506692.0,38952012.0,36795932.0,38958344.0,37919110.0,37822050.0,38524904.0,38498270.0,16261599.0,42536716.0,42682212.0, 441,132.10180873486888,5.0757966,area,,,,,,,,,,,10659141.0,9311823.0,11583594.0,10443432.0,11056033.0,11028747.0,11103861.0,10729384.0,11314760.0,3089435.5,11373378.0,12235121.0, 442,254.16086399050823,5.076235,area,,,,,,,,,,,923449.8,838018.25,1162868.2,960826.1,983024.2,1090482.2,895865.75,973953.2,941871.9,609627.5,1045225.94,1041056.6, 444,86.09634855868607,5.0771127,area,,,,,,,,,,,7465848.5,7168935.5,7126288.5,7414958.0,7848532.5,7603507.0,7728683.0,7529687.5,8021792.5,2857913.8,8358785.5,8643754.0, 460,231.1700284982437,5.157729,area,,,,,,,,,,,842321.06,740965.1,949398.2,866358.2,899782.0,802537.3,887711.5,878155.75,889420.4,410190.47,984140.1,1071014.2, 462,86.09635085819752,5.0803976,area,,,,,,,,,,,5717207.0,5757564.5,5907885.0,6001184.0,6317628.5,6319746.0,6172753.5,5771073.5,6458256.5,1542036.5,6840229.0,6771761.0, 464,132.1018131478376,5.079959,area,,,,,,,,,,,8071840.5,7425429.5,9502658.0,8374132.0,8843205.0,9111067.0,8779367.0,8137889.5,9085948.0,2587101.8,9224842.0,9524769.0, 465,133.10514770247934,5.0799584,area,,,,,,,,,,,28045164.0,28375628.0,32067944.0,29619344.0,31269416.0,31403530.0,30047980.0,29449618.0,30838372.0,9605055.0,34578410.0,33202002.0, 466,134.10843686992123,5.079081,area,,,,,,,,,,,1508738.1,1543300.6,1745450.9,1610850.8,1687145.6,1683328.1,1622126.1,1592539.2,1672641.9,522729.94,1857650.9,1820197.2, 471,231.17003514728088,5.1624675,area,,,,,,,,,,,908185.9,788700.8,1024241.94,903031.5,958431.4,889194.5,943657.3,935577.2,911217.7,162315.75,1018385.94,1148932.0, 472,177.068867688938,5.0954223,area,,,,,,,,,,,238630.23,310370.88,469437.28,540260.1,294908.88,116239.4,475623.44,434620.06,499949.28,123400.914,542678.94,94909.03, 476,146.02680791872297,5.2020907,area,,,,,,,,,,,322176.03,102595.08,73097.56,300729.2,161551.7,32685.182,1341578.1,346643.12,22600.648,59684.516,124080.94,548251.9, 482,170.06097130330835,5.208097,area,,,,,,,,,,,385760.28,337336.0,404027.8,385755.16,401544.97,390820.62,402019.8,405463.62,396063.22,280218.16,442051.22,466528.0, 485,322.054438749271,5.261234,area,,,,,,,,,,,324641.4,265584.3,298210.1,314584.38,316609.62,305583.72,349366.25,318945.28,320266.8,180215.4,333883.12,402146.06, 486,306.0806507387645,5.269045,area,,,,,,,,,,,779639.3,657933.7,771230.8,766924.7,780381.4,747968.6,825007.7,772481.44,783703.94,463954.38,874566.6,968438.4, 487,284.09869474213104,5.2824006,area,,,,,,,,,,,359179.22,310843.5,358717.9,361527.1,375050.7,369893.62,376285.56,376038.84,368133.53,267626.72,392992.75,439535.84, 490,254.1609829416835,5.2925267,area,,,,,,,,,,,986558.5,857491.8,839112.4,1011029.9,1026438.1,807621.06,1016244.4,933554.8,949817.1,641872.9,1000293.06,1136188.4, 498,228.17037747659276,5.428404,area,,,,,,,,,,,144136.19,114866.33,130253.35,139997.3,140934.78,125776.41,146409.56,139283.56,130168.67,74268.6,157289.03,176052.0, 499,254.16093846752423,5.4288635,area,,,,,,,,,,,805988.9,698459.5,800557.25,808137.8,730698.06,747203.75,800334.6,756357.44,803920.6,302579.9,887152.5,989898.2, 500,176.06557454370355,5.4312606,area,,,,,,,,,,,164295.05,184482.06,119670.88,180614.58,159418.05,142754.45,165422.31,144266.14,173993.14,78832.33,163507.42,193401.89, 501,86.09634303157317,5.453327,area,,,,,,,,,,,1073812.0,1002780.8,848894.1,992848.25,1137013.8,1039539.0,1180351.6,1027532.2,1129462.5,302444.3,1040911.44,1253388.6, 502,132.10179944532445,5.452833,area,,,,,,,,,,,4854076.5,4322473.0,4659219.5,4569413.5,5084409.5,4694281.5,5230149.0,4851238.5,4942505.0,1461348.6,4989166.0,5624929.5, 505,133.10515142846097,5.4484563,area,,,,,,,,,,,802165.25,1227667.5,782124.3,879203.06,1087784.2,1063649.8,1175530.5,1186380.6,1300582.6,1164278.0,1066984.1,1351735.6, 506,132.10179448037488,5.4554677,area,,,,,,,,,,,5376509.5,4866723.0,5181117.0,4948160.0,5465833.0,5303523.0,5899969.0,5408181.5,5543252.0,2651835.8,5563956.5,6200020.5, 507,86.09633268244676,5.4559617,area,,,,,,,,,,,1271752.9,1111386.9,961417.3,1161945.0,1273232.6,1205337.0,1318650.0,1144595.9,1260369.6,610613.9,1195847.2,1394645.2, 508,192.0394553458964,5.4579144,area,,,,,,,,,,,85298.766,85699.8,82647.71,89468.266,85446.74,81444.47,84348.93,81548.836,88291.83,52787.56,87322.24,96302.21, 510,254.160928157678,5.431993,area,,,,,,,,,,,805988.9,698459.5,819402.94,834644.94,755720.1,782647.0,800334.6,756357.44,803920.6,122686.875,887152.5,989898.2, 518,208.01345244401543,5.4915414,area,,,,,,,,,,,353416.38,271888.62,386809.12,304937.2,348684.16,388883.56,340881.7,346712.7,376605.84,242772.28,352632.72,375453.47, 529,122.9244093086683,5.570595,area,,,,,,,,,,,913873.1,828514.9,982890.6,904558.06,936867.25,924816.6,947971.1,899276.94,918527.6,813520.25,974439.7,1026221.94, 530,458.7694151411931,5.5711894,area,,,,,,,,,,,334448.7,311238.78,349843.9,321044.7,339873.0,348526.84,340079.12,362995.84,338808.78,331329.62,350316.44,360803.25, 532,206.88568577248728,5.572176,area,,,,,,,,,,,573257.7,520884.47,604712.6,555321.06,593165.8,598520.94,595716.94,595813.7,582755.4,567761.94,597854.3,639596.1, 534,542.7307149004203,5.5728345,area,,,,,,,,,,,362540.03,338751.53,375974.5,353649.88,374781.9,387466.5,373788.22,400990.62,370396.3,346858.38,377796.4,391484.6, 537,290.8469756666516,5.574323,area,,,,,,,,,,,1168233.0,1055369.6,1231705.8,1118213.8,1187690.9,1213135.2,1197598.2,1223299.9,1185980.8,1174412.0,1202240.6,1262983.8, 539,292.84486404160776,5.57543,area,,,,,,,,,,,333197.78,300960.94,349546.25,314321.72,337661.06,346906.28,342088.1,346686.12,338546.3,334067.8,342354.28,356519.62, 546,118.086136282161,5.6935368,area,,,,,,,,,,,37233576.0,34038292.0,41486724.0,41980100.0,36088628.0,35638120.0,37477104.0,33454698.0,38409430.0,7060099.5,43272696.0,45488590.0, 547,119.08943078666724,5.6957307,area,,,,,,,,,,,1990162.9,1805129.1,2196160.5,2234851.2,1915065.6,1891152.9,1994164.9,1789935.4,2030566.5,367303.62,2297891.0,2411675.5, 549,158.03999253356488,5.6885877,area,,,,,,,,,,,501133.56,453679.66,502385.66,497475.2,495199.6,455016.03,525611.2,239196.42,478433.9,231990.0,541318.2,593947.4, 558,118.08614084735753,5.695406,area,,,,,,,,,,,41214356.0,38010156.0,47532148.0,47305690.0,40950890.0,40748044.0,42146976.0,37538990.0,42928972.0,17833438.0,49073428.0,50985384.0, 559,156.0419594783285,5.700437,area,,,,,,,,,,,6594629.5,5923139.5,6719396.5,6481877.5,6412387.0,5815215.5,6888096.0,6739473.0,6344869.5,2938783.8,7274028.5,7941119.0, 561,133.10503503876865,5.7478676,area,,,,,,,,,,,326118.1,239346.16,81814.016,159197.9,108777.125,234105.3,116179.49,185581.77,581183.0,136479.97,190535.34,131650.9, 563,119.08942925468972,5.6976,area,,,,,,,,,,,2190014.8,2000443.1,2514752.2,2458786.2,2167713.2,2160515.2,2231712.8,2006154.6,2266077.0,916647.7,2607286.2,2704698.8, 564,235.1649571996301,5.6980495,area,,,,,,,,,,,2607286.0,2283872.2,3212278.8,2796275.8,2646577.0,2676075.8,2748946.8,2468340.8,2672122.0,1230436.8,2971956.8,3171778.8, 573,273.1208172600843,5.7226243,area,,,,,,,,,,,6834877.5,6601895.5,7335094.5,6178821.0,6788994.0,6764586.5,7229335.0,7576638.5,6696782.5,2956103.8,7018086.5,7843588.0, 586,150.0580937823089,5.736668,area,,,,,,,,,,,1084201.0,1019006.6,1183609.6,1101121.1,1129366.8,1166725.9,1137434.1,1103228.2,1209729.6,776978.75,1230498.4,1321709.1, 587,257.14684101952525,5.737107,area,,,,,,,,,,,1900018.0,2178833.8,2203002.2,1922136.5,1828295.5,2269652.0,1864627.8,1935667.2,2029865.9,662793.75,1897110.1,1836985.5, 591,163.05338891159045,5.738424,area,,,,,,,,,,,5455246.0,1962108.9,1593384.0,3140220.2,3753273.2,1839464.8,12329489.0,2850771.8,641286.5,4773426.0,1600374.6,4608341.5, 603,107.0714836044441,5.7414956,area,,,,,,,,,,,1101826.5,1110417.2,1135682.6,1140493.1,1164609.0,1198324.8,1146148.1,1120069.5,1219491.9,756288.9,1330485.6,1310216.2, 604,136.05042953346918,5.741495,area,,,,,,,,,,,2323383.5,2344361.5,2408478.0,2377531.5,2437496.0,2485129.2,2347668.2,2356360.2,2498472.2,1618027.2,2774659.0,2705580.8, 606,153.07702607515895,5.742373,area,,,,,,,,,,,18766738.0,18835396.0,20136424.0,19055200.0,19755552.0,20352338.0,19214682.0,19181174.0,20344144.0,13923646.0,22366092.0,21761142.0, 609,201.00917974363804,5.743689,area,,,,,,,,,,,1272048.9,527585.4,464765.2,827452.9,942492.9,510767.66,2378668.0,760346.94,199993.84,1009123.9,447190.12,1140791.0, 617,156.04195771190652,5.7104034,area,,,,,,,,,,,2763717.2,789429.3,5204784.5,2948880.5,1922406.9,6089922.5,3926336.2,2968017.2,2394217.0,846405.06,5191886.0,5735154.5, 621,273.12082086293464,5.7262015,area,,,,,,,,,,,2674243.5,1387002.9,7032142.5,5839652.5,3696523.8,6527100.5,5925640.5,4035967.2,4537472.5,572938.6,6708202.5,4660545.0, 622,132.10170818206214,5.7288346,area,,,,,,,,,,,263090.78,294268.66,197565.38,192490.23,126549.12,331221.47,71281.14,268603.72,107220.375,336455.38,133706.23,58359.848, 628,133.10504212972964,5.765699,area,,,,,,,,,,,625932.44,296260.9,219284.4,159197.9,242800.66,234105.3,116179.49,185581.77,501027.7,524620.75,303751.0,131650.9, 640,217.15447541961305,5.817688,area,,,,,,,,,,,509449.66,449647.0,590995.56,516716.7,513058.84,536744.2,495714.9,485606.4,519210.72,282893.12,581374.0,622946.3, 659,203.13879992661975,5.825148,area,,,,,,,,,,,271070.4,242291.14,191826.78,262181.94,260274.94,128407.4,258144.31,250699.67,232851.69,143261.25,292183.88,324739.16, 660,215.13885933944832,5.825148,area,,,,,,,,,,,703183.25,628322.3,770672.2,715906.56,643431.44,695458.3,616797.44,615271.7,704989.2,336853.53,781049.94,832153.56, 674,138.0547721930798,5.8345313,area,,,,,,,,,,,222762.05,194175.3,229350.4,231524.62,230377.75,229188.83,240333.97,203751.48,235502.88,35021.516,259594.84,292112.62, 678,227.15804343513688,5.843843,area,,,,,,,,,,,138949.48,125772.97,158667.88,152298.62,148770.97,138488.52,145711.66,139617.92,145377.66,52569.44,161953.28,182667.44, 679,226.1548276939271,5.84388,area,,,,,,,,,,,1251458.6,1130786.0,1389839.0,1341117.6,1302842.2,1232436.2,1291826.1,1223596.0,1271779.2,694725.5,1438259.8,1609833.5, 683,118.08618244730933,5.818649,area,,,,,,,,,,,2494447.0,1984730.6,2794665.0,1116388.4,918328.56,1659677.5,1968706.0,1561752.8,1123872.2,269230.8,2357516.2,1253792.0, 685,197.040867463821,5.8871245,area,,,,,,,,,,,165998.23,168432.38,139819.69,164666.94,180265.3,177351.89,176759.53,167455.39,197408.9,101604.664,191318.8,232324.02, 686,320.17136170937744,5.910408,area,,,,,,,,,,,146736.7,125275.44,161638.6,152514.42,150700.75,150730.86,151801.56,141429.25,146412.17,74192.82,174821.0,186757.8, 687,115.08651467149711,5.9351325,area,,,,,,,,,,,825011.94,725183.4,814692.06,824734.7,861302.4,854422.5,909317.0,774215.56,864000.6,508576.0,920676.25,1010254.06, 688,137.06841851907743,5.936834,area,,,,,,,,,,,244933.83,233398.6,274944.38,264856.03,244516.38,245845.38,256252.44,220996.38,249963.78,112424.58,281448.8,292965.44, 690,265.11149031603264,5.9485784,area,,,,,,,,,,,66785.57,51694.03,9895.826,36447.137,280708.56,7474.482,118579.945,220654.95,0.0,129286.16,234036.1,229430.1, 691,228.14534892007973,6.0084243,area,,,,,,,,,,,108657.766,98006.64,78208.07,110309.96,113283.055,112504.234,118790.055,90236.48,114940.83,56924.316,123348.555,140219.72, 693,226.1548933204581,6.043236,area,,,,,,,,,,,304678.28,257033.38,113172.625,255690.8,290329.56,267295.25,335551.53,191541.83,294540.84,123639.31,329213.34,398799.66, 695,228.1454157073448,6.1668887,area,,,,,,,,,,,599329.56,529403.06,152144.72,577487.2,596837.9,555416.9,614243.3,331229.0,619217.2,124405.05,662189.2,795853.06, 698,118.08615791324712,6.2560725,area,,,,,,,,,,,2591002.5,1903149.6,766120.4,1879746.4,1653595.9,891215.94,1870517.4,1644119.4,1163675.9,682520.94,2610090.0,2701809.0, 699,132.10171546003687,6.300898,area,,,,,,,,,,,98145.125,157699.33,83256.12,220073.6,59752.668,380730.2,206041.45,147977.47,243108.0,85042.95,28878.498,280149.16, 700,133.10509747646654,6.288588,area,,,,,,,,,,,351479.5,343650.22,134082.5,456369.94,350294.75,154848.14,173193.53,309674.34,324917.34,112197.19,59463.57,449611.1, 701,153.07699495948592,6.2302094,area,,,,,,,,,,,320177.47,368367.78,135155.17,252678.77,379282.4,323958.56,387268.3,420520.03,343595.62,175731.67,246931.42,325778.75, 708,298.02467259368444,6.2890944,area,,,,,,,,,,,472281.7,175685.48,345790.66,316238.2,187719.84,297000.6,168372.97,150709.55,345950.78,71793.99,542628.06,190261.77, 710,162.0499397667938,6.361732,area,,,,,,,,,,,607350.56,520773.72,648952.44,622650.56,615621.56,688486.56,605504.1,376842.38,984227.8,119649.016,690334.2,659764.3, 711,118.08612947184405,6.2692437,area,,,,,,,,,,,1200409.2,1144552.8,1133900.4,1202757.5,1270923.2,1938487.4,1439245.4,947304.25,1675662.0,651590.25,1020822.75,1597138.8, 713,90.976550099308,6.411321,area,,,,,,,,,,,2293011.0,1931538.4,2802499.5,2191194.2,1976457.0,2478744.0,2078712.2,1924630.1,2616691.5,216894.75,2412799.5,2216424.2, 717,133.10506197129337,6.3418784,area,,,,,,,,,,,165348.39,193215.58,143471.75,117497.71,249014.53,179310.81,319427.0,316409.75,190378.33,91758.83,563533.7,69855.42, 723,132.10170322970416,6.3238697,area,,,,,,,,,,,314676.78,67275.7,27742.72,120666.25,85592.805,37855.266,110735.81,286770.03,73313.48,83442.7,41190.305,76827.49, 729,430.9133167798752,6.445311,area,,,,,,,,,,,4943581.0,4198701.0,5989545.0,5084761.0,4809834.5,5204133.0,4774388.0,4587245.0,5224327.5,1614185.2,5483696.5,5588649.0, 730,498.9006283059093,6.4422398,area,,,,,,,,,,,3305438.8,2831753.5,4020552.0,3423810.5,3200712.5,3487599.0,3193995.5,3083248.2,3484137.2,1099365.5,3697750.2,3764779.5, 733,566.887996552571,6.4444346,area,,,,,,,,,,,2611232.8,2256292.2,3135988.2,2698253.5,2487339.0,2758848.8,2526995.5,2459487.8,2708771.5,847242.44,2938884.2,2979653.5, 742,162.049928906656,6.3924384,area,,,,,,,,,,,939352.8,798042.56,733917.5,946661.56,969533.4,647271.9,987178.5,831708.7,621334.9,221672.27,1056674.8,1153351.9, 743,566.8879974709893,6.465941,area,,,,,,,,,,,2985398.5,2582064.5,3474028.0,3163037.0,2983837.0,3075904.0,2941103.2,2803971.8,3018133.0,568884.75,3444195.0,3493991.0, 744,298.0246176631577,6.392486,area,,,,,,,,,,,261907.66,385205.94,167099.28,476413.5,146332.06,63932.953,305027.03,267029.78,163145.19,113335.12,341703.0,369525.3, 746,90.9765516798645,6.4571624,area,,,,,,,,,,,3976557.0,3712715.0,4452195.0,4345566.5,3887048.0,4053285.2,4022114.8,3551965.5,5227114.0,1385702.2,4533536.5,4477889.5, 752,362.925952839678,6.459356,area,,,,,,,,,,,5993797.5,5263530.0,6916074.5,6435635.5,5996361.5,6079298.0,6103727.5,5641016.0,6053342.0,2605651.5,6990934.0,7217716.0, 753,430.91332032039486,6.4764752,area,,,,,,,,,,,6149437.5,4585587.5,6970629.0,6608201.0,6167913.5,6209772.5,6286833.0,5790867.5,6210399.5,1086405.8,7150502.0,7429356.5, 754,498.9006293329196,6.464187,area,,,,,,,,,,,4101966.2,3591856.0,4675665.0,4426951.0,3732825.8,4137498.8,4169418.5,3865996.2,4138266.8,731830.5,4802785.5,4972693.5, 760,430.9133173583412,6.47867,area,,,,,,,,,,,6107404.0,4197730.5,6648378.0,6629521.5,6178501.5,5936013.5,6604782.5,5849440.0,5956560.0,3150319.8,7367611.5,7897382.0, 763,362.9259521619515,6.46155,area,,,,,,,,,,,7607956.5,6447930.0,8803423.0,7872663.0,7582981.0,7781954.0,7952887.5,7312490.0,7909643.0,3850660.0,8598627.0,9325525.0, 768,498.9006350513378,6.4663815,area,,,,,,,,,,,5348139.0,4548468.0,6109181.5,5577615.0,5316541.5,5457328.5,5585808.0,5179927.0,5554798.5,2084818.5,6259940.5,6578854.0, 772,566.8880079908274,6.4703307,area,,,,,,,,,,,4132100.0,3522747.5,4681932.5,4291191.0,4153734.8,4227440.5,4291186.5,3998690.2,4244202.5,1604410.5,4864363.5,5065324.0, 774,226.95130605314407,6.4734025,area,,,,,,,,,,,35039020.0,29673360.0,39290132.0,36061280.0,34641784.0,35480628.0,36418920.0,33157444.0,36130584.0,29614306.0,40705664.0,42756700.0, 776,158.96391743043827,6.475264,area,,,,,,,,,,,5077777.5,4377274.5,5884173.5,5294793.0,5052545.5,5173056.5,5254982.5,4834457.0,5209178.5,4200135.0,5890194.5,6168405.5, 777,90.97655184812557,6.4699974,area,,,,,,,,,,,5052654.5,4479041.0,5779572.5,5259671.5,4999067.5,5143415.5,5287862.5,4735326.5,3483335.0,2234649.5,5847145.5,6127329.0, 783,430.913321997725,6.485361,area,,,,,,,,,,,7921099.0,6668045.5,8991875.0,8214524.0,7903794.0,8068805.0,8299962.0,7623654.5,8221284.0,808984.9,9223639.0,9734208.0, 797,498.9006368424921,6.481851,area,,,,,,,,,,,2576675.0,2333814.5,2750222.5,2830791.0,1846166.9,2497963.5,3120528.2,2676491.5,2532778.8,565265.44,3409263.0,3723005.2, 798,566.8880087807638,6.490188,area,,,,,,,,,,,1991649.1,1805731.4,2107713.0,2184995.0,2215241.8,1929501.1,2394849.0,2066041.4,1941081.1,440808.7,2660221.0,2882896.8, 801,116.07045588148864,6.535134,area,,,,,,,,,,,1265527.6,1152726.5,1358352.9,1323061.4,1218882.9,1299701.9,1189447.1,1121313.2,1333331.0,418075.06,1409404.1,1459923.0, 806,90.97654696859416,6.497805,area,,,,,,,,,,,1851200.8,1669913.0,2007820.0,2047096.4,2064512.2,1798657.8,2228203.5,1933065.9,1752320.4,206542.0,2353410.8,2791210.8, 807,133.1050813977587,6.57356,area,,,,,,,,,,,267211.78,316983.1,138449.75,257218.62,336981.0,1153153.6,674440.5,1059174.0,126577.22,336745.62,307174.88,743831.9, 820,258.15586908713766,6.8444924,area,,,,,,,,,,,73132.086,59343.336,79769.484,80533.29,71092.47,67457.555,75101.61,66013.75,71144.81,75817.086,91006.21,100574.43, 821,301.96555337204217,6.8449597,area,,,,,,,,,,,98029.97,270822.44,127829.52,135287.5,107889.15,107188.8,122414.86,81570.15,251559.9,100964.945,252886.47,185691.64, 822,214.12973993847905,6.8736024,area,,,,,,,,,,,362660.56,294238.5,356122.2,393197.6,355927.1,323107.53,383654.78,327765.4,351932.72,389285.8,412437.38,490046.75, 826,376.979765282261,6.890302,area,,,,,,,,,,,245206.47,155219.8,222288.61,243638.97,231020.88,188546.94,312500.38,239231.67,93667.81,279541.34,215850.47,307862.72, 833,308.9923908286443,6.898309,area,,,,,,,,,,,241347.86,131717.86,221184.67,229775.42,228856.02,177544.2,337208.84,242842.33,69155.64,170038.27,194551.11,300191.03, 835,173.09190815945408,6.8987,area,,,,,,,,,,,91748.75,31140.262,92905.67,92215.17,92022.92,62980.293,140512.81,83200.67,23079.441,149711.8,76036.664,141806.44, 836,165.99085411729348,6.9019084,area,,,,,,,,,,,1129498.8,729555.5,816038.0,995288.2,1049120.4,850461.06,1532969.2,1075541.9,503221.53,1231730.1,853484.44,1275316.8, 837,451.9939689509807,6.901796,area,,,,,,,,,,,124257.47,43861.887,114009.25,103381.17,119967.79,79539.06,208896.84,132350.47,1703.6418,210346.58,80917.85,153967.19, 842,122.02695576262852,6.907451,area,,,,,,,,,,,572799.9,194243.92,466050.0,474299.2,569962.2,351886.12,1292968.6,572538.25,86395.21,767680.75,336851.12,741264.1, 845,241.03098040451917,6.929818,area,,,,,,,,,,,39006.902,0.0,36250.703,20909.496,51270.676,18775.893,111293.72,56727.477,0.0,220436.27,6868.2256,51582.824, 848,118.08612324531742,6.906456,area,,,,,,,,,,,177932.88,135193.44,152628.94,150768.6,177430.0,165355.86,214455.64,166025.31,142796.95,123996.97,158981.0,139947.75, 850,122.02695713603926,6.910003,area,,,,,,,,,,,557180.9,193293.55,462035.4,469499.6,562725.2,348738.28,1247852.6,562417.5,86395.21,596259.2,334825.56,721555.06, 853,208.1806931005108,6.967325,area,,,,,,,,,,,103626.91,91197.61,102201.33,116633.555,106053.125,97414.23,122863.164,97954.73,92828.87,103564.9,109432.57,136961.6, 857,226.95139637449867,7.056883,area,,,,,,,,,,,228026.98,375294.62,48382.734,102001.36,84862.27,68657.11,101192.51,104688.67,451140.4,53062.88,138506.92,233775.12, 858,258.156014085099,7.159303,area,,,,,,,,,,,211413.73,200815.38,78024.836,154312.86,140472.22,131637.9,302362.28,121631.695,235389.06,246176.44,151057.44,283166.12, 859,104.07052981519426,7.1661315,area,,,,,,,,,,,52234.652,56953.64,26832.146,29034.748,26433.494,25759.543,103183.98,22485.31,76389.83,80155.234,31623.309,76860.5, 860,226.9514186720039,7.1463103,area,,,,,,,,,,,125902.234,170726.2,61570.523,90855.305,78295.19,75013.13,299377.16,75108.76,184461.58,138811.36,75542.23,137173.2, 861,245.9476010251665,7.220245,area,,,,,,,,,,,20957.445,34772.336,0.0,0.0,0.0,8433.195,39434.047,0.0,71671.766,13962.275,0.0,20080.193, 862,201.9837410781343,7.2195973,area,,,,,,,,,,,18818.424,34818.09,0.0,0.0,0.0,8933.361,38159.906,0.0,79190.8,14322.245,1936.235,15990.076, 863,267.92949707305337,7.2172837,area,,,,,,,,,,,13238.639,26864.691,0.0,0.0,0.0,0.0,26891.63,0.0,48942.73,6059.6816,0.0,11106.741, 864,90.05496978874557,7.6612244,area,,,,,,,,,,,92203.38,83012.82,91826.414,119930.16,93723.625,97375.04,98151.86,85655.65,106277.914,98412.36,175862.86,120037.89, 865,244.14050373882597,7.6647267,area,,,,,,,,,,,38111.047,37456.29,37385.926,74527.29,37675.734,40023.484,37922.652,34680.734,40519.36,41576.61,99583.42,63426.715, 866,230.14997669311865,7.6839995,area,,,,,,,,,,,14326.4375,11958.752,15616.823,32088.053,16398.379,15347.379,14850.807,11339.219,16861.39,18245.227,54942.89,26524.068, 867,134.01883779940704,7.6638207,area,,,,,,,,,,,27323.154,29417.229,13381.674,44065.734,29502.379,27946.451,23875.742,9299.572,33074.184,17690.758,54620.52,28362.412, 868,328.0301594961641,7.9222236,area,,,,,,,,,,,13794.754,10663.019,1629.6493,1766.3638,37437.918,20206.057,29854.99,27065.102,14765.538,22490.068,24324.602,27736.395, 869,306.048316086854,7.914533,area,,,,,,,,,,,31527.1,30604.518,27636.453,30091.113,75620.13,40105.695,55318.664,58664.273,33566.24,48476.254,51634.39,55037.04, 870,285.1667082325685,7.933275,area,,,,,,,,,,,45141.28,42312.324,35607.3,48134.074,57364.77,42853.14,50914.516,45604.145,38983.133,55183.664,59460.926,70245.22, 871,387.2709948049544,7.9394317,area,,,,,,,,,,,33993.438,30870.756,34551.855,37882.22,39018.504,36987.348,39903.58,36685.883,32990.17,47361.395,47063.348,53669.453, 872,187.10747655608205,7.93947,area,,,,,,,,,,,53193.457,43628.38,53180.87,48551.836,75550.73,57756.098,66677.96,63896.65,49873.25,71621.28,77962.77,95444.94, 877,197.0894356361632,7.961445,area,,,,,,,,,,,140826.77,115807.01,165169.77,146484.72,155780.42,147173.28,159536.84,143640.56,144655.95,177163.39,187709.53,211797.17, 879,269.16060472372754,7.962421,area,,,,,,,,,,,564985.75,452785.44,753232.5,643232.6,653408.25,596195.75,652481.7,584993.9,560801.1,802487.6,805909.2,919396.7, 880,346.05434588118914,7.9639306,area,,,,,,,,,,,181531.7,155659.11,174894.75,177781.31,275386.7,176218.44,247497.3,260001.89,158042.11,258439.02,252866.5,282212.4, 881,271.1510202898235,7.9642925,area,,,,,,,,,,,165059.25,156763.38,373737.47,188260.02,190284.11,306339.34,183989.39,191804.52,293863.03,170768.86,224841.22,260893.16, 890,129.06566925010313,7.9716926,area,,,,,,,,,,,142663.47,110771.94,200301.52,151004.39,163694.31,148188.4,157859.45,145715.53,129242.37,125240.85,195586.9,226666.14, 891,120.06545039741656,7.972265,area,,,,,,,,,,,1003265.5,853837.4,1030657.5,936813.2,1067225.6,1026013.25,1072473.4,1009223.25,988385.56,1064668.0,1146343.1,1276522.4, 894,164.02922326766455,7.9790225,area,,,,,,,,,,,355295.2,371538.25,314558.62,374455.7,351938.38,350667.25,349391.1,351812.28,356823.56,352682.53,407497.16,359768.44, 895,133.10507612878197,7.9839897,area,,,,,,,,,,,100364.555,161186.44,78365.4,106915.23,182970.94,160271.44,117009.19,183087.12,159587.84,70873.984,143861.0,77248.305, 896,153.07696300828565,7.981729,area,,,,,,,,,,,175289.48,83283.836,22799.246,74464.984,126568.16,174212.81,134330.36,114931.81,54295.19,72895.555,103151.51,114248.46, 899,129.06566954676447,7.973686,area,,,,,,,,,,,142663.47,110771.94,200301.52,151004.39,163694.31,148188.4,157859.45,145715.53,129242.37,52928.324,195586.9,226666.14, 901,233.10652019611663,7.9997315,area,,,,,,,,,,,755996.7,660638.2,831044.44,735972.1,686105.2,648288.8,717406.75,645009.0,661575.25,793741.44,947068.7,991647.1, 904,217.12933749214804,8.017409,area,,,,,,,,,,,201088.69,168971.11,291293.62,229224.08,209186.19,207541.31,212249.75,201477.08,200318.25,265268.3,288920.84,314775.2, 909,205.11810687589983,8.066115,area,,,,,,,,,,,31611.69,29028.916,37642.363,31563.266,34982.023,36884.305,34043.703,33533.66,27984.61,37939.242,43383.125,46430.516, 910,176.09158435507644,8.110695,area,,,,,,,,,,,71007.37,63658.633,79259.16,63210.125,72261.336,75503.12,70833.6,69084.98,64651.49,84475.375,99645.59,105575.41, 911,120.06538793621888,8.095319,area,,,,,,,,,,,67120.96,79003.4,57152.547,46344.414,69063.6,188754.86,73091.555,54798.5,54254.34,48049.367,141873.56,143525.0, 912,216.13414402314515,8.137809,area,,,,,,,,,,,196252.27,156380.66,245586.3,168374.81,203869.8,205139.73,194508.27,185708.23,171501.3,241515.78,293801.53,325069.66, 913,254.110947332547,8.13853,area,,,,,,,,,,,56633.938,46242.496,64626.523,44216.543,64231.35,64030.18,60411.094,57082.766,51185.97,65600.65,82850.92,89307.98, 918,142.09734305994664,8.155034,area,,,,,,,,,,,42237.53,34738.18,53930.516,45510.54,42689.645,43270.785,41637.957,39343.37,36634.875,61122.973,64422.906,71194.28, 919,247.12867941295664,8.191632,area,,,,,,,,,,,52941.24,46929.957,48803.082,42899.0,58525.465,57223.52,57565.035,52135.594,51190.25,57316.25,65630.15,74258.96, 920,203.11372007085788,8.203923,area,,,,,,,,,,,56113.344,42883.664,66424.68,48241.92,58891.734,65554.55,59625.957,55592.35,53144.484,73982.16,82637.06,91581.805, 921,246.1446736791892,8.23056,area,,,,,,,,,,,31891.504,25674.404,24758.652,24514.314,33711.625,34223.74,31925.24,29450.805,29120.914,36954.75,37286.703,40808.69, 922,261.1443564364716,8.234616,area,,,,,,,,,,,107762.62,88298.08,86895.92,85473.05,109222.22,114601.98,108886.13,99714.21,101683.836,112646.65,120671.81,131256.28, 923,283.12626085214976,8.235302,area,,,,,,,,,,,24365.018,19126.299,18427.707,18552.574,26018.05,26070.379,25956.906,23432.62,23504.17,24052.97,27725.873,30704.23, 924,269.16066025719937,8.241423,area,,,,,,,,,,,103248.766,75628.34,88066.93,86824.016,106417.16,112206.01,109112.28,93283.07,89122.08,137399.1,134547.83,160326.53, 925,226.95133006670156,8.252555,area,,,,,,,,,,,14771.734,25243.566,7089.7847,37311.73,16091.242,29772.754,16868.244,5121.9253,17730.334,27717.627,32845.24,38025.35, 926,118.0861033091863,8.375219,area,,,,,,,,,,,7517.835,22918.848,0.0,0.0,11566.483,20627.627,8648.797,1700.5381,0.0,29025.602,14439.749,21825.691, 927,244.0942511712273,8.360445,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,18615.957,0.0,7661.9297, 928,201.1788423536045,8.363343,area,,,,,,,,,,,18214.75,27188.797,0.0,1947.815,25045.43,34683.586,18142.281,14453.624,10236.886,45550.92,36704.59,45833.66, 929,200.1756825779179,8.360786,area,,,,,,,,,,,246635.77,318460.06,106266.875,140957.66,301389.94,384079.1,245891.6,216574.94,191206.55,481678.06,400014.47,471937.5, 930,226.9513188023629,8.36787,area,,,,,,,,,,,30162.732,46040.344,0.0,11897.368,28425.828,68652.23,20993.738,28894.129,17910.465,56706.715,42030.56,60196.54, 931,217.1181167414713,8.373118,area,,,,,,,,,,,14475.675,19333.064,0.0,0.0,18894.049,23672.285,14520.887,11135.324,8177.0005,28099.965,27590.855,32099.635, 932,265.12695885890884,8.393177,area,,,,,,,,,,,31441.023,42287.543,0.0,4139.01,28521.8,35195.97,28854.576,23338.08,21994.855,45588.285,44269.68,59946.56, 933,365.105201429741,8.39588,area,,,,,,,,,,,23362.486,202245.77,0.0,0.0,18420.469,24483.375,18587.01,12269.173,17911.955,25800.629,25566.604,31475.557, 934,157.16978702908858,8.416748,area,,,,,,,,,,,9782.061,46812.152,0.0,0.0,10452.794,16792.137,24696.625,18931.229,5663.6055,39091.04,18864.625,45789.152, 935,205.11817679551444,8.449443,area,,,,,,,,,,,12147.091,29081.76,0.0,0.0,6448.7944,17174.357,11742.965,7177.9385,6705.876,16068.198,11608.445,17581.68, 936,166.0531984049978,8.511632,area,,,,,,,,,,,46973.707,146513.42,33181.137,33244.78,42580.09,48448.1,43222.11,38541.93,38157.457,40403.633,41665.215,46118.344, 937,210.01689084731828,8.517229,area,,,,,,,,,,,0.0,40129.137,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 938,574.1288443930529,8.598261,area,,,,,,,,,,,55004.05,62946.723,39580.438,38881.805,56592.043,57081.59,51110.746,47251.293,48171.17,40778.258,41469.152,48780.473, 939,188.03499184859004,8.604352,area,,,,,,,,,,,95772.336,150735.14,79287.734,74584.586,89197.27,99419.12,82410.586,75197.29,87108.89,81030.32,85023.76,99994.67, 940,166.05302736240878,8.598813,area,,,,,,,,,,,32324.186,95999.15,29164.791,22783.5,33207.164,38313.08,27621.51,23688.125,32347.064,23862.84,28128.07,35228.83, 941,147.07628217729822,8.606629,area,,,,,,,,,,,0.0,0.0,0.0,49799.336,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 942,169.0581892689462,8.606629,area,,,,,,,,,,,0.0,0.0,0.0,43343.918,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0, 944,175.10751430696803,8.61571,area,,,,,,,,,,,108059.164,94616.484,126292.89,92128.52,111618.734,121059.586,105934.51,97416.17,104094.91,114731.71,117528.86,131533.44, 945,258.14458594133026,8.616849,area,,,,,,,,,,,147768.83,115927.57,163035.36,128102.63,150387.53,158163.44,143265.97,138026.73,143440.06,161083.36,168647.19,190991.97, 949,106.0497993519311,8.619147,area,,,,,,,,,,,561718.0,529013.4,570715.56,509521.6,559262.2,623498.56,544556.9,518523.78,555698.0,557521.0,575975.6,634069.94, 951,227.09996497608665,8.619727,area,,,,,,,,,,,60738.15,55042.004,69131.49,63616.32,62687.88,66556.055,61578.566,56761.684,61878.152,69475.75,71014.22,77962.5, 953,365.1050858603464,8.622464,area,,,,,,,,,,,85047.78,90847.14,96294.52,97664.664,79064.25,84409.73,74155.83,74442.414,81839.45,86841.35,94272.35,100112.05, 954,277.03801398466214,8.624969,area,,,,,,,,,,,76143.58,89560.734,64676.273,79773.15,71032.56,80431.375,70311.664,78553.42,77430.805,72376.484,75170.18,76671.84, 957,230.1133787668119,8.627342,area,,,,,,,,,,,404007.53,307216.66,475510.2,357695.5,419608.94,439515.84,417808.03,387850.28,389791.06,439087.28,448512.56,515928.1, 958,150.01357254868546,8.627431,area,,,,,,,,,,,112437.73,139585.06,97487.97,115966.34,108976.21,122381.336,104525.22,115851.84,113556.88,102747.73,108025.95,106867.27, 964,268.12651808851587,8.64582,area,,,,,,,,,,,125943.34,89336.58,152180.61,120692.42,123924.18,126899.19,130647.44,131461.4,119378.73,145977.36,157886.23,178071.22, 965,246.14460651871127,8.647682,area,,,,,,,,,,,70567.96,50900.297,78327.95,60051.586,68452.41,71813.63,71505.41,71952.664,65805.305,76575.625,78752.266,89530.98, 966,118.0860713755489,8.666564,area,,,,,,,,,,,35221.32,48571.934,13201.54,39401.3,48838.99,37097.387,39072.156,59352.1,43964.664,21990.664,21994.09,59276.07, 970,331.0597083994683,8.728163,area,,,,,,,,,,,105375.42,109982.234,103333.0,120538.18,100557.17,99496.0,108582.4,116103.266,108034.445,111547.3,114308.18,128320.85, 971,177.02446857919654,8.73112,area,,,,,,,,,,,312601.7,324329.66,291006.22,330065.44,297970.22,304269.44,324382.72,323904.0,329610.5,306746.0,325089.75,344897.53, 974,155.04258957375788,8.740393,area,,,,,,,,,,,429326.22,341433.88,563275.06,477690.16,415253.72,414606.16,438910.75,573709.9,429419.66,542748.4,550999.56,627755.8, 975,230.1133464625389,8.74039,area,,,,,,,,,,,379792.3,286266.2,465106.75,366472.4,415226.62,400196.53,413742.06,462971.62,372733.97,466066.88,433434.22,534239.2, 979,133.0606595880094,8.745018,area,,,,,,,,,,,833900.25,699526.9,859226.25,738807.06,843269.8,841263.9,842251.56,888876.2,830990.06,835058.75,860172.25,946018.0, 980,286.15069933735964,8.763644,area,,,,,,,,,,,171788.28,133607.89,250404.7,185325.55,185159.36,184814.58,186259.42,243057.61,172255.22,224609.3,218658.75,259410.53, 982,247.12860338588263,8.766978,area,,,,,,,,,,,196928.28,163825.27,220606.86,179614.83,203933.97,203276.31,205710.44,227295.88,192884.56,210026.58,209603.02,244651.2, 988,361.1977693027184,8.791953,area,,,,,,,,,,,92969.53,68415.625,138605.67,105354.38,86134.28,87962.88,96020.99,131992.86,87758.055,119420.53,119494.66,139701.95, 994,296.0656615542094,8.852614,area,,,,,,,,,,,690156.75,640665.6,999463.44,917343.4,678130.0,681194.94,713345.06,1035954.2,713302.75,952575.6,984252.2,1095621.1, 995,280.0918526920189,8.8539295,area,,,,,,,,,,,2677528.2,2416704.2,3770759.8,3273095.5,2689492.5,2645108.8,2871488.0,3845177.8,2820373.5,3541113.0,3769992.0,4028410.2, 998,537.1943231163153,8.85701,area,,,,,,,,,,,982790.44,869475.7,1494423.8,1264182.4,1002046.2,989811.25,1083127.0,1517157.1,1075063.4,1341283.1,1421004.4,1630232.5, 999,259.11326523868405,8.8587675,area,,,,,,,,,,,802122.2,655586.3,1186147.5,920964.06,818442.5,805105.2,833164.25,1192061.8,804575.2,1072725.0,1139662.0,1272183.1, 1003,258.1099364516471,8.860084,area,,,,,,,,,,,9389313.0,7778012.5,13910173.0,10884312.0,9652067.0,9480708.0,9827115.0,14136317.0,9521293.0,12651453.0,13549875.0,14933365.0, 1009,153.07693685054173,8.865781,area,,,,,,,,,,,298183.44,234070.25,57059.977,36368.906,189574.03,61421.48,35144.54,30183.236,61893.387,34006.137,189746.95,26260.557, 1016,322.1869685406384,8.8856325,area,,,,,,,,,,,287301.5,222093.4,424596.34,309861.66,276802.75,287270.5,283424.44,410118.56,278377.66,187391.33,386787.25,436881.88, 1019,348.0696595688975,8.905177,area,,,,,,,,,,,333331.22,284741.7,302826.9,289407.03,311544.1,355796.44,329502.78,345656.03,347966.25,163148.47,338574.0,317186.8, 1020,156.14936280240056,8.929667,area,,,,,,,,,,,156901.06,122548.36,126056.72,140008.89,139577.28,119608.1,154804.6,187739.81,128911.44,188480.75,186649.33,210809.55, 1023,255.14499651185736,8.961529,area,,,,,,,,,,,200377.69,140293.84,237706.94,203366.81,186760.2,194133.17,211135.53,290230.78,178764.11,266871.8,266703.6,338109.8, 1026,198.0847628014792,8.995751,area,,,,,,,,,,,128110.11,102109.945,113020.516,117192.42,122400.43,119983.71,139651.39,159267.33,119056.914,145472.97,149973.61,216159.16, 1027,176.1027959719887,8.99959,area,,,,,,,,,,,71081.02,56455.598,63432.41,61500.703,67517.36,67729.51,72499.21,83650.695,62716.56,77447.484,83756.86,104224.64, 1029,288.2028931457914,9.03741,area,,,,,,,,,,,868378.9,621790.44,1081828.6,873544.1,829255.9,841672.4,910161.0,1296369.4,809384.7,1218076.9,1220516.2,1516745.5, 1030,289.2065919245926,9.038054,area,,,,,,,,,,,103579.516,71293.984,128805.22,102972.805,95808.29,98408.3,108030.25,154305.3,92495.7,145841.0,145984.62,185030.45, 1031,168.076587656824,9.039931,area,,,,,,,,,,,85338.336,62037.184,77428.4,70998.35,76158.59,80514.38,88486.79,103479.16,75391.7,95479.68,95745.23,118940.055, 1033,229.12936404392448,9.058728,area,,,,,,,,,,,153269.81,119200.82,160784.3,137688.44,148801.67,153798.47,160653.05,192680.78,145483.25,187385.7,187698.56,235169.05, 1034,251.11128458048435,9.060653,area,,,,,,,,,,,73121.44,54997.277,73167.125,66523.7,70623.33,71492.39,79204.64,92252.055,71906.8,94492.45,90206.76,120123.31, 1036,294.18102755142905,9.065932,area,,,,,,,,,,,147224.25,102798.72,156899.69,123952.03,135582.14,143227.47,147020.6,191903.5,131602.52,180314.5,184406.69,223909.92, 1039,258.1447309396798,9.109013,area,,,,,,,,,,,42809.426,29546.852,27929.363,27239.709,35380.664,40325.16,46102.285,49748.51,34548.11,44519.445,47793.723,63073.008, 1040,365.1052316626935,9.099115,area,,,,,,,,,,,15595.205,0.0,6857.376,3364.8313,1761.771,0.0,9022.747,26992.52,0.0,11631.625,42467.438,37152.695, 1043,258.14458259952363,9.161549,area,,,,,,,,,,,23658.22,22595.504,15291.694,22464.182,28729.232,16757.752,25872.23,31805.176,30171.273,26006.2,33760.977,50118.793, 1045,216.0629531114795,9.191652,area,,,,,,,,,,,100635.79,64414.527,58438.34,56377.707,69626.414,81068.07,96928.96,100129.984,70132.42,87171.56,96179.29,141702.47, 1048,238.04483266653563,9.194025,area,,,,,,,,,,,76989.94,50725.562,29271.674,44285.29,56614.617,62633.684,75226.41,78666.66,56631.57,70007.766,74063.65,112046.94, 1051,269.1604872451791,9.198629,area,,,,,,,,,,,270382.28,208678.83,322908.7,304084.12,236349.44,266805.4,269419.0,385211.2,253721.84,354011.56,369120.03,427433.06, 1053,260.19665861930304,9.201791,area,,,,,,,,,,,1951648.0,1516350.0,2052825.8,2024506.8,1670751.1,1783655.6,1982883.8,2732063.2,1721572.2,2447908.2,2580480.5,3131381.5, 1054,261.20006499413546,9.202691,area,,,,,,,,,,,243896.38,189893.61,248027.92,264743.6,209781.23,226160.02,250678.72,343751.34,216167.16,317072.56,317977.34,390109.78, 1067,149.06356867672196,9.225198,area,,,,,,,,,,,305628.3,263444.56,348912.1,306852.38,307628.06,299826.2,309339.84,379569.53,296031.4,370910.47,400420.47,451166.12, 1069,130.04972503456412,9.2256365,area,,,,,,,,,,,811593.3,709066.4,896976.8,815839.8,794380.7,792077.44,830728.7,1027617.9,787266.5,959037.94,1060078.5,1189086.1, 1071,148.06031941955982,9.226085,area,,,,,,,,,,,5687026.0,4980734.0,6346767.0,5634000.0,5567100.0,5600191.0,5776651.0,7131460.5,5474450.5,6768371.5,7339716.0,8198405.0, 1079,288.2028125859761,9.241891,area,,,,,,,,,,,2288213.5,1961358.6,2944066.5,2776177.0,2184756.5,2225574.8,2312590.8,3287361.5,2213254.5,3037083.0,3090811.0,3359085.2, 1085,221.112942320711,9.250683,area,,,,,,,,,,,234333.84,189987.28,329350.9,266491.88,236506.19,234145.84,242100.1,344761.6,235563.62,327198.62,332484.0,374382.6, 1096,366.10847337323975,9.300052,area,,,,,,,,,,,238638.75,240046.23,305613.84,292187.38,220957.03,247042.08,215052.75,313631.12,219040.53,304680.88,305358.75,327852.0, 1099,365.1051586729516,9.302187,area,,,,,,,,,,,1871985.8,1854895.0,2293687.0,2209868.2,1681862.9,1891730.8,1688001.9,2407501.5,1718031.6,2347955.2,2357003.5,2593738.8, 1100,118.08606206806408,9.277427,area,,,,,,,,,,,50851.676,84157.516,4180.6006,10662.318,20753.943,40329.14,22656.975,45968.18,79520.12,2471.959,33969.496,50863.246, 1102,360.149656817636,9.311521,area,,,,,,,,,,,154200.53,150356.73,236339.06,177388.52,144227.84,167520.5,143823.58,227812.94,133230.64,223604.97,198292.23,222195.45, 1107,359.26492669564453,9.318966,area,,,,,,,,,,,164105.0,94615.625,214883.0,182437.73,159053.72,154445.64,165151.56,240195.55,142637.33,219991.61,236184.05,270776.72, 1111,260.1967063364553,9.344571,area,,,,,,,,,,,863270.2,702632.75,1016314.0,802140.75,763295.5,830186.3,803729.1,1190372.0,694320.25,1031706.94,1153656.8,1374876.8, 1112,261.2001203040639,9.346213,area,,,,,,,,,,,104295.44,84231.34,136758.56,91009.71,89790.0,97127.45,98504.24,144987.03,85370.625,124475.91,143207.52,168854.45, 1113,433.0925277310742,9.346755,area,,,,,,,,,,,64973.383,33825.484,42544.19,46639.785,49172.105,71147.38,49801.04,45250.984,57215.773,45891.164,42434.17,41176.152, 1118,345.22421788168214,9.386636,area,,,,,,,,,,,133475.55,113652.08,72751.98,58774.98,57441.23,143648.78,130500.73,163109.84,134871.33,81817.0,166714.28,214017.45, 1121,203.1501620783906,9.454228,area,,,,,,,,,,,494939.5,419164.88,222476.6,342560.66,320526.88,500189.75,476362.03,482074.2,473300.94,240291.02,483133.72,596385.8, 1122,188.1755993548724,9.460129,area,,,,,,,,,,,85894.75,72778.93,17020.955,44344.93,69292.586,65152.223,71811.695,72994.08,67443.56,18143.361,76635.03,82481.67, 1124,294.16712720772256,9.486702,area,,,,,,,,,,,144902.23,128693.45,45322.688,114209.62,110999.945,137738.3,139191.36,130793.3,138140.14,60760.59,128286.52,147917.12, 1125,335.0339660433254,9.493368,area,,,,,,,,,,,64789.953,57813.34,7979.4624,53802.305,39144.93,77907.766,54907.746,71116.82,77365.75,10801.014,75789.58,90241.4, 1126,313.0520546222224,9.502534,area,,,,,,,,,,,133325.8,119245.55,54916.77,107045.08,106030.29,156482.28,116674.945,146385.31,156739.61,59065.7,151951.45,176908.55, 1127,289.206630553843,9.5099125,area,,,,,,,,,,,91735.67,65479.867,26880.037,58049.37,69245.23,105433.7,92445.414,102367.59,98445.36,39823.56,96904.09,130055.19, 1128,288.2029258528593,9.509217,area,,,,,,,,,,,764307.94,554891.5,276710.6,515609.38,584274.5,891832.7,770220.7,865665.7,806134.0,375147.12,814344.56,1092295.6, 1131,218.18619761371053,9.525903,area,,,,,,,,,,,158529.7,143657.84,46820.92,130051.914,155730.75,171119.27,173651.12,154651.81,156913.5,84447.13,156131.12,183955.03, 1132,306.06162796412696,9.547405,area,,,,,,,,,,,73514.43,58330.16,34184.977,46768.086,42946.453,102206.87,65413.168,52691.31,94672.84,26434.361,45036.11,78613.33, 1133,188.17558642399584,9.518045,area,,,,,,,,,,,95892.66,52597.04,13120.798,33946.414,83464.26,48163.99,50272.016,46588.305,43804.477,26144.879,46009.055,102746.29, 1134,260.1967002040386,9.570424,area,,,,,,,,,,,70963.93,51590.234,29138.342,40596.598,62187.707,74930.22,71469.8,73403.58,68811.75,44195.383,63679.85,84365.3, 1135,306.1592562972893,9.571097,area,,,,,,,,,,,22293.262,21992.13,11100.672,20705.4,15811.339,19249.047,19509.152,22386.834,22227.043,24317.58,24886.914,21885.781, 1136,284.0796833657358,9.646189,area,,,,,,,,,,,575140.7,462705.72,586726.4,432531.0,419318.8,815878.9,499730.3,463755.75,723302.2,322316.12,396736.75,599188.1, 1137,324.0588200527568,9.649519,area,,,,,,,,,,,70048.945,53738.81,48036.67,39758.406,52053.23,76027.12,59460.39,55152.61,77800.47,31331.545,50115.984,63822.117, 1138,219.09737415252712,9.655475,area,,,,,,,,,,,84057.516,62908.074,58682.234,48080.992,85708.03,89418.266,89786.53,81564.01,82501.69,53419.17,66765.59,91720.04, 1139,148.0602834766663,9.6562,area,,,,,,,,,,,141306.64,125614.45,120238.734,115183.266,190429.67,155627.0,148112.42,164702.03,145920.73,130996.61,154945.22,177183.27, 1141,154.01670024274702,9.662093,area,,,,,,,,,,,95678.22,53381.15,30898.123,45662.508,59337.19,45821.98,104821.92,66052.46,68568.51,69475.21,40902.57,81649.875, 1143,195.04322321426469,9.665049,area,,,,,,,,,,,50436.97,10290.792,0.0,6170.783,20607.74,0.0,94567.01,12709.594,0.0,26187.129,0.0,28465.277, 1144,290.1344649431372,9.675607,area,,,,,,,,,,,253586.19,198476.23,216447.58,154632.45,258227.86,275241.1,270089.56,247061.94,259741.55,204448.14,228424.47,260423.84, 1145,283.04150739594115,9.690609,area,,,,,,,,,,,200267.44,200301.34,74440.375,149934.64,171764.75,88423.09,179175.75,185799.97,85342.19,146269.8,213634.06,230119.12, 1149,207.0973923543056,9.729797,area,,,,,,,,,,,109940.1,94145.89,97899.984,89361.54,115486.29,113207.08,115717.13,111543.984,111426.17,101779.91,105603.99,119272.28, 1150,308.09087390128616,9.73265,area,,,,,,,,,,,115407.13,46629.566,0.0,55477.773,108774.66,55910.92,196452.8,66919.54,16239.645,60279.105,46398.152,72761.19, 1151,613.1510753489329,9.735156,area,,,,,,,,,,,43565.957,35894.23,41133.73,34725.246,45523.86,47961.137,43702.2,43488.508,42045.24,41380.77,43098.727,48309.484, 1155,317.2180748441611,9.774086,area,,,,,,,,,,,45438.562,35847.21,33704.285,35457.86,46214.5,43181.613,46293.668,45968.6,43461.906,39455.973,43835.973,50358.574, 1157,260.1966837829511,9.806193,area,,,,,,,,,,,328111.5,273533.28,285701.25,268967.72,331575.53,323976.34,339444.84,326789.5,318478.22,297294.2,323201.6,355555.12, 1159,345.2493190320606,9.83373,area,,,,,,,,,,,84092.07,66227.22,73102.516,64086.04,84559.4,79508.93,86001.59,83523.31,78792.28,77933.05,84794.78,91138.71, 1163,282.1180701017672,9.848723,area,,,,,,,,,,,137194.52,105396.89,105412.8,98910.76,133374.9,134507.92,142504.36,129059.516,139872.89,111770.5,127384.5,152541.33, 1164,219.0973471625064,9.852621,area,,,,,,,,,,,194542.03,157823.72,172485.58,147853.61,199039.39,191909.6,202508.83,201833.84,197694.89,177404.5,201115.36,221689.69, 1165,248.12386819185815,9.854269,area,,,,,,,,,,,148276.86,120709.92,129322.86,115289.88,150007.36,148382.06,151982.4,148036.75,145541.0,134739.89,156049.97,168130.02, 1167,262.90666776551785,9.858233,area,,,,,,,,,,,292801.34,312790.03,190365.95,268301.94,304930.9,261495.55,294688.97,250217.88,269419.4,226926.72,257592.48,267401.9, 1168,284.0795670488393,9.863204,area,,,,,,,,,,,158490.03,99821.35,173805.75,125487.17,86045.05,187065.61,96333.09,97124.68,170521.69,76675.95,121462.625,124713.07, 1171,134.04468296663256,9.863805,area,,,,,,,,,,,1092704.9,1012413.2,1019007.75,929851.3,1120543.1,1120998.1,1139565.8,1127351.6,1097781.9,1057748.8,1229410.5,1353927.5, 1172,142.94789363209495,9.862807,area,,,,,,,,,,,189042.48,187961.66,64384.938,168530.25,186086.58,173533.11,192719.55,157126.64,174803.98,132636.64,157874.19,174870.05, 1174,249.107884486856,9.871725,area,,,,,,,,,,,166137.75,141783.48,150957.66,133503.19,174216.0,170576.94,174987.92,179968.81,171010.14,161143.98,179740.81,199341.33, 1175,274.18716937581314,9.873346,area,,,,,,,,,,,798965.56,681016.25,721443.6,654928.5,803056.5,787945.5,822266.25,822179.25,786422.0,770282.2,841138.6,909684.94, 1181,338.1819343706756,9.884996,area,,,,,,,,,,,201857.03,171558.08,182821.27,167384.69,203804.64,193574.84,202707.28,211154.17,195833.67,196212.17,209245.61,227779.78, 1185,175.14390259797082,9.938897,area,,,,,,,,,,,189063.67,158223.19,154683.08,152973.66,184497.44,178904.64,191722.77,188375.6,184780.33,170992.66,186876.98,204641.9, 1187,156.07665515382126,9.965302,area,,,,,,,,,,,6352617.0,5321920.5,6125311.5,5553622.5,6295010.0,6860489.0,6550347.5,6480774.0,6821078.5,6057356.5,6276085.0,6754057.5, 1188,178.05845818353518,9.965835,area,,,,,,,,,,,177856.5,162654.97,164486.67,174832.44,179640.48,194986.72,183423.67,174460.2,201158.05,162285.94,172110.11,182777.84, 1189,110.07110800895867,9.96585,area,,,,,,,,,,,353898.97,298881.7,311921.56,305072.06,346788.6,371891.16,346906.22,341814.97,374610.53,313430.9,333301.4,372219.72, 1192,157.07990648632463,9.970797,area,,,,,,,,,,,417174.34,341317.44,395487.84,359975.38,408887.9,450717.56,403830.06,421604.06,449113.25,392970.5,408510.34,439463.78, 1195,246.1809879902873,9.996257,area,,,,,,,,,,,304731.47,251023.78,263312.0,238795.88,298885.1,289708.22,316392.5,293558.75,290306.06,276159.16,289083.0,330695.7, 1201,299.0363071280015,10.030114,area,,,,,,,,,,,93920.08,89994.516,92055.16,82272.84,94902.82,106345.24,81178.95,99183.28,110211.625,76839.83,107711.805,104285.06, 1205,310.17584025335856,10.059572,area,,,,,,,,,,,148560.16,125440.57,116996.875,117906.805,142392.4,139267.95,152359.25,139523.69,138415.03,131822.33,135958.67,151965.81, 1206,190.1628070441479,10.089722,area,,,,,,,,,,,101532.0,84470.7,86658.72,83066.13,104621.33,98920.4,106927.41,100271.27,99159.016,91339.05,96157.36,106104.27, 1207,189.15962556992508,10.091929,area,,,,,,,,,,,1173061.5,984544.6,998274.3,976950.06,1193621.5,1121433.5,1204689.1,1143866.1,1149207.9,1064763.9,1108719.1,1220802.0, 1208,275.1908113067463,10.101804,area,,,,,,,,,,,128843.65,105544.24,98037.18,101462.17,118357.86,112095.67,128658.07,115200.76,112828.98,107000.33,108196.55,122500.08, 1209,274.18718518067203,10.102931,area,,,,,,,,,,,1218334.5,1010299.8,930479.1,971868.44,1109892.4,1072893.8,1225552.1,1092745.2,1103288.1,1036813.1,1062952.2,1183201.8, 1211,364.0649234803579,10.105504,area,,,,,,,,,,,550149.6,479344.78,475793.03,451356.7,513959.47,578123.8,537213.8,506435.56,594651.94,477246.97,467137.56,547164.8, 1216,227.11370840600603,10.148948,area,,,,,,,,,,,537635.25,457789.88,429440.06,444894.34,528628.4,514866.47,560447.94,512138.84,520349.1,488065.5,494008.03,559500.3, 1219,195.0254494451458,10.179174,area,,,,,,,,,,,94290.81,28693.451,0.0,21489.42,29653.102,26609.793,179785.47,14661.975,20939.252,30964.48,0.0,66896.77, 1220,323.0839267608916,10.180491,area,,,,,,,,,,,708341.9,285466.6,86995.33,221183.84,268463.03,253074.2,1315004.1,190611.16,225439.67,302792.7,82351.91,524928.1, 1224,237.05378657328663,10.185353,area,,,,,,,,,,,209926.17,171576.38,166722.39,154890.47,213885.98,222495.16,240445.34,206641.86,211355.31,195420.66,201506.7,241806.42, 1229,259.12865594655494,10.204153,area,,,,,,,,,,,117271.94,87162.586,98825.45,77565.56,125437.234,125801.45,129457.23,123819.516,117606.81,109386.414,113959.5,143320.44, 1234,235.09230901827425,10.252195,area,,,,,,,,,,,38910.23,27880.021,17734.502,18970.996,36531.867,36837.7,42448.984,30698.9,35406.547,26902.668,27310.232,39413.637, 1239,472.2874612980231,10.308299,area,,,,,,,,,,,163164.88,134528.4,124223.836,122005.03,134747.47,156955.1,173887.52,155333.03,152991.06,146105.08,146622.66,173320.84, 1242,175.11882033505466,10.356683,area,,,,,,,,,,,16949034.0,15360329.0,15394078.0,14848817.0,17044858.0,17049678.0,17493100.0,17300910.0,17052702.0,16342081.0,16759993.0,17857160.0, 1243,349.23023603947246,10.357158,area,,,,,,,,,,,547104.06,485539.03,486558.47,486066.9,563323.0,540887.3,564097.25,557079.75,580190.2,521242.66,538189.75,593271.5, 1244,371.2121607007718,10.357639,area,,,,,,,,,,,197779.89,195588.45,168988.11,189288.0,196885.25,193782.05,204886.9,189661.52,214185.39,183158.44,193142.36,201242.7, 1246,176.12211343714353,10.358672,area,,,,,,,,,,,1092284.0,982673.4,980316.4,952211.2,1090706.9,1098140.4,1115090.1,1116870.6,1088978.0,1039257.5,1071331.2,1144351.4, 1249,197.1006803958095,10.360531,area,,,,,,,,,,,325189.9,323620.97,280633.1,316633.97,314916.56,321055.66,322344.66,313480.25,335734.8,307781.8,314148.34,316625.34, 1251,130.09729229124068,10.370269,area,,,,,,,,,,,298806.62,277087.6,88631.336,246575.25,240337.3,223466.77,323205.47,177283.94,301906.4,136577.86,208596.48,324255.5, 1252,246.18095223184145,10.376628,area,,,,,,,,,,,431777.22,402859.72,444478.12,389461.03,495443.34,447780.72,503883.75,507979.94,480712.25,460139.0,476270.94,516700.78, 1254,364.0649180883176,10.324018,area,,,,,,,,,,,30362.943,24684.258,24822.623,22532.623,19828.57,33402.55,34340.375,28753.938,35456.383,36757.52,28819.264,33911.36, 1256,272.1714484795354,10.424933,area,,,,,,,,,,,71732.164,52413.88,67025.65,48939.12,74901.234,72145.17,73742.83,74048.12,69967.02,65875.18,68071.42,80273.13, 1258,257.1242348570159,10.465497,area,,,,,,,,,,,194063.02,143015.0,197812.88,135877.39,212716.02,226279.92,222190.38,224687.61,204064.28,193892.56,208102.66,249356.58, 1259,285.2030842021909,10.469291,area,,,,,,,,,,,130118.73,120503.77,98425.016,121299.734,119245.14,111918.28,125112.89,121212.09,118397.17,115142.41,114630.65,115992.33, 1260,156.0765780966775,10.469985,area,,,,,,,,,,,121193.195,91059.21,114681.516,98725.09,119207.08,143799.84,236800.6,137947.36,144525.9,104273.516,129417.07,131861.9, 1261,442.74712460313145,10.470643,area,,,,,,,,,,,205443.8,157331.47,209033.77,171093.1,219403.88,231718.42,218410.55,217232.47,240458.33,191591.6,191876.11,220378.22, 1263,347.228682719869,10.512813,area,,,,,,,,,,,99909.25,69132.7,75445.09,60860.46,103452.71,102880.88,115119.64,110789.875,100188.03,87002.25,95697.45,125822.195, 1264,303.20249423925924,10.522915,area,,,,,,,,,,,103766.914,76577.65,69321.945,64861.02,103565.33,109840.234,120408.164,107990.47,104024.99,84523.29,93305.42,123790.914, 1266,213.09809375538885,10.5390005,area,,,,,,,,,,,155306.88,110204.74,67770.22,82852.46,157093.8,165127.12,184121.12,155307.56,164278.86,101772.07,142144.05,193455.48, 1267,589.1399646335841,10.551182,area,,,,,,,,,,,38980.55,31434.053,24750.271,27918.51,43452.027,39241.57,44038.742,38560.18,40794.344,32961.688,36702.63,43589.242, 1271,156.07656270160743,10.643449,area,,,,,,,,,,,103174.27,73822.11,39727.926,69089.85,88825.45,117498.64,81843.47,84369.78,118225.53,59840.227,78666.97,84809.766, 1272,175.11883104950437,10.63616,area,,,,,,,,,,,1165653.6,841394.2,513384.78,761420.8,1119902.4,1144495.1,1126317.9,1056141.9,1164764.2,677262.5,865180.44,1177689.2, 1276,148.11599366591082,10.651277,area,,,,,,,,,,,428075.94,377907.3,280178.47,340050.66,416118.94,426015.97,444651.88,414528.94,418569.3,355088.8,400952.66,450999.9, 1278,191.07647587262295,10.651727,area,,,,,,,,,,,168760.44,176681.58,85818.31,154908.38,155896.8,153952.23,165266.17,139175.72,181439.75,124586.49,147535.44,150897.9, 1279,130.0861855729082,10.652225,area,,,,,,,,,,,1232282.5,1087917.5,787207.56,990066.75,1220920.2,1259354.9,1291748.4,1191994.8,1219601.2,1010870.06,1158850.1,1317186.2, 1280,84.08064494962149,10.652238,area,,,,,,,,,,,221217.23,195505.45,110998.65,167681.5,206504.3,203916.55,229060.14,189485.53,210864.98,149061.0,186032.27,228952.42, 1281,147.1127199612054,10.652242,area,,,,,,,,,,,6709275.5,5656621.0,4317683.0,5149585.5,6345158.5,6364258.5,6998838.0,6307834.0,6365272.0,5420925.0,6109176.5,7104705.5, 1283,169.09453102570544,10.654132,area,,,,,,,,,,,140696.67,138100.62,86039.91,122843.42,134113.27,136293.94,147216.0,129352.0,143402.38,115811.71,127994.586,132636.88, 1289,244.16534762312872,10.664137,area,,,,,,,,,,,163090.81,130375.27,122488.336,120502.586,167384.11,160403.98,170370.81,164628.42,160409.8,144892.53,153755.62,182836.83, 1290,257.1969723050618,10.6713915,area,,,,,,,,,,,73596.66,139105.27,112253.32,66659.48,81719.836,75146.21,85090.76,70079.086,77095.74,67963.24,69890.72,65723.72, 1293,133.09706985780863,10.722098,area,,,,,,,,,,,818030.3,721768.7,688371.5,690989.5,834031.9,806510.25,826491.9,817380.7,832088.3,736655.0,763725.8,847775.7, 1295,116.07050095631276,10.722583,area,,,,,,,,,,,391217.34,339695.5,295303.75,324476.66,392758.62,378498.16,367882.25,370885.47,358453.22,324589.47,352433.78,370768.3, 1296,489.2762008111585,10.794624,area,,,,,,,,,,,85357.51,59116.34,78899.695,63772.426,85071.8,81710.45,93297.23,85435.164,84915.02,77642.9,77442.41,91476.95, 1298,175.11881153058343,10.751388,area,,,,,,,,,,,35126.547,39332.867,165338.02,298914.8,308120.6,329141.97,114592.234,252291.66,294857.6,118843.516,237860.48,339773.0, 1310,304.03932259922425,10.842536,area,,,,,,,,,,,967562.06,954952.0,757863.7,969738.1,906979.06,929414.5,414160.1,876544.6,984070.0,877719.0,854638.0,926500.0, 1317,283.06144442783113,10.857608,area,,,,,,,,,,,2450776.0,1808190.5,1167098.1,1605136.2,1645286.5,1722590.9,2874140.2,1547164.8,1716241.4,1950294.4,1250567.2,2503258.8, 1318,563.1074885117305,10.858048,area,,,,,,,,,,,1292495.5,929310.5,508846.78,845167.1,820561.2,859036.3,1479413.0,801172.25,903142.75,980367.94,542119.06,1317115.5, 1320,282.05750541230793,10.858509,area,,,,,,,,,,,30608884.0,22384724.0,14590020.0,19760622.0,20704394.0,21352716.0,35872936.0,20449818.0,21428644.0,24261114.0,15355602.0,31031138.0, 1321,284.0531507149704,10.858556,area,,,,,,,,,,,2626366.2,1916880.0,1258969.9,1711478.5,1772772.9,1847162.0,3081958.5,1759772.1,1848314.0,2096371.5,1333276.2,2658780.2, 1324,163.05334706421047,10.861239,area,,,,,,,,,,,620150.8,461500.0,231211.69,434926.12,363156.9,400079.25,777145.25,357938.2,559458.7,470596.22,292670.56,728059.75, 1330,237.0359682970429,10.877342,area,,,,,,,,,,,999670.7,773312.7,224579.52,526468.75,563786.8,397220.9,1067946.0,448032.7,718971.1,466477.66,402028.47,1017560.06, 1334,175.1187171353388,10.861039,area,,,,,,,,,,,144689.39,88246.47,187584.42,114906.68,90373.234,108313.5,127726.77,148848.55,152077.08,109211.5,218324.36,109041.15, 1336,241.03078940211464,10.946838,area,,,,,,,,,,,53578.094,35688.117,68328.73,19806.16,46332.984,69625.87,43371.33,70274.76,106282.06,68199.234,67991.82,46349.715, 1342,246.1559001157775,10.92701,area,,,,,,,,,,,1604372.8,1434305.5,1709346.6,1631962.8,1722910.6,1733894.2,1565112.2,1622755.2,1681177.6,1546439.8,1541053.9,1658913.4, 1345,247.15931781669644,10.927976,area,,,,,,,,,,,151143.56,130295.52,157035.67,146456.56,155266.89,161211.89,140378.92,149206.22,149981.33,139316.64,137114.98,151859.86, 1346,243.1085915333856,10.930374,area,,,,,,,,,,,156437.36,131573.66,134294.1,145050.2,160905.45,158210.27,151278.55,148172.33,152288.05,143338.62,137793.7,165433.98, 1348,163.0534682624983,10.963395,area,,,,,,,,,,,575786.4,417880.22,147450.12,326482.1,323720.88,330801.06,696700.8,350504.72,445946.9,401367.9,278981.78,626039.9, 1349,241.0308201955841,10.969333,area,,,,,,,,,,,61036.4,111839.99,85271.086,42450.688,125255.46,181862.78,91492.914,172061.0,12403.467,121798.74,200535.44,135577.38, 1350,158.91554905353604,10.985007,area,,,,,,,,,,,41433.48,47697.234,12861.148,44456.67,37298.684,38867.684,37582.742,35467.62,45235.53,31919.268,36850.582,37196.258, 1352,284.0795279906775,11.007104,area,,,,,,,,,,,39262.84,41416.383,24207.879,29995.143,20260.129,58001.797,31643.49,23650.943,69979.15,18612.553,23470.527,32878.344, 1353,285.1191553590796,11.007634,area,,,,,,,,,,,51825.664,39726.69,25214.48,41393.562,42847.324,47289.59,55667.984,39380.4,49895.016,37975.42,34832.05,55524.6, 1354,218.14977569757968,11.019916,area,,,,,,,,,,,106486.055,89157.4,41685.22,83089.91,92184.07,97212.48,111756.586,84429.52,100304.41,78266.42,81655.734,115241.14, 1355,276.1666669024399,11.127444,area,,,,,,,,,,,967207.7,606292.75,124502.234,168245.67,280777.62,364210.4,1081890.6,171526.7,747611.2,150455.67,189091.55,1027764.9, 1356,277.17032556111366,11.130445,area,,,,,,,,,,,90139.47,55202.375,0.0,5830.0513,17050.578,27148.205,99902.72,7999.808,69458.83,0.0,8254.947,100033.02, 1360,270.11951370352017,11.143098,area,,,,,,,,,,,48595.93,27631.242,0.0,0.0,5700.788,11150.064,60782.746,0.0,42299.598,0.0,0.0,56841.97, 1361,477.7683038765202,11.143561,area,,,,,,,,,,,36420.5,24310.885,28697.74,22860.77,32625.621,35710.527,43672.23,33239.992,36078.6,30795.75,29687.213,39192.62, 1362,218.149918302188,11.197883,area,,,,,,,,,,,492108.97,324635.5,47417.598,45519.24,223362.05,307838.2,574283.6,62980.99,472388.22,55153.875,83648.31,575340.75, 1364,175.11883005279304,11.212697,area,,,,,,,,,,,83340.83,62487.336,0.0,0.0,13172.182,35523.586,94346.38,0.0,77267.04,0.0,0.0,93533.62, 1365,248.16044847300984,11.214851,area,,,,,,,,,,,151492.62,96898.74,10164.621,8212.307,85896.11,118682.27,175861.34,16713.926,149899.08,11546.686,24426.188,176412.48, 1366,241.03097143373472,11.219297,area,,,,,,,,,,,198139.92,54967.938,0.0,0.0,30217.316,64711.414,238818.1,0.0,74853.13,0.0,0.0,127241.04, 1367,232.14043462663736,11.221642,area,,,,,,,,,,,544689.3,379243.5,57061.88,72013.89,306847.28,426828.16,604788.06,74714.92,553071.3,70025.0,102380.85,595350.56, 1369,282.057543479596,11.168553,area,,,,,,,,,,,138630.17,86257.27,0.0,0.0,47596.977,73208.016,179439.14,0.0,102508.54,0.0,0.0,171316.31, 1370,313.18703563912146,11.3278265,area,,,,,,,,,,,81782.82,70004.734,48641.043,81009.67,111808.56,63286.195,85499.42,62039.094,67299.51,83382.76,86554.3,102136.055, 1371,248.1605684094749,11.336497,area,,,,,,,,,,,16800.143,16932.568,12036.569,13308.945,13670.827,15749.27,15086.036,12682.907,18009.172,13064.932,13203.125,17355.303, 1374,277.1390483125494,11.51134,area,,,,,,,,,,,370262.1,340454.97,333379.62,345386.75,400956.47,359055.53,377583.88,400455.0,370053.2,303724.25,391841.66,370783.72, 1376,278.1423901329732,11.513539,area,,,,,,,,,,,17980.238,17690.883,9621.779,12048.019,31608.1,24025.828,27177.133,32095.45,23767.494,17321.121,27603.152,23211.508, 1377,282.057449726996,11.514416,area,,,,,,,,,,,240419.55,164248.36,84686.1,147453.78,133413.05,371444.03,327722.84,124748.85,184742.72,118789.05,91241.83,282065.0, 1378,304.16126122413266,11.517955,area,,,,,,,,,,,537667.1,477444.25,556214.94,470140.38,563533.06,568318.8,565011.94,509776.78,560496.0,550779.2,561778.3,543513.44, 1388,262.1506913923568,11.531592,area,,,,,,,,,,,1003273.7,870283.7,950447.4,864061.3,1042023.0,1024604.6,1054009.0,536395.56,993763.7,977790.25,991332.8,1026191.5, 1389,204.13402659101504,11.532012,area,,,,,,,,,,,602783.7,538237.3,617438.06,545535.25,622179.5,635576.0,605972.8,681521.8,625380.06,638447.8,657386.4,705765.8, 1407,276.1550226035785,11.559689,area,,,,,,,,,,,1119339.2,983416.06,1006252.56,988149.4,1149146.9,1104609.6,1186387.9,1170965.6,1151979.1,1062063.5,1150152.8,1216907.5, 1409,241.03094338850485,11.5610075,area,,,,,,,,,,,81415410.0,78605870.0,96675784.0,73687260.0,76538410.0,95738610.0,76608510.0,98329760.0,102132070.0,94316696.0,99792860.0,119154880.0, 1415,243.02678201103345,11.562327,area,,,,,,,,,,,7150621.0,6926787.0,8559829.0,6549230.0,6756952.0,8393742.0,6787737.0,8650774.0,8956769.0,8316449.5,8806763.0,10454444.0, 1426,303.1772234383022,11.568047,area,,,,,,,,,,,544835.06,466078.9,482869.1,493068.5,571258.06,523146.78,595041.25,526280.8,538205.5,511686.03,522732.84,540460.1, 1437,251.166119732511,11.585159,area,,,,,,,,,,,1115217.8,985716.2,1000568.9,952131.0,1088547.4,1058504.8,1099860.6,1116415.9,1094203.6,1057015.6,1092154.5,1231385.5, 1457,275.1710225348117,11.613685,area,,,,,,,,,,,956215.56,835945.75,895110.6,821855.2,960553.5,941716.8,982624.7,986726.7,979283.2,910616.2,978771.2,1053697.0, 1466,263.0128023889946,11.642216,area,,,,,,,,,,,1791147.8,1901820.4,1617562.8,1750701.5,1749810.1,2083333.1,1740551.4,2393426.5,2409196.8,2148317.0,2484253.2,2796358.0, 1469,278.98660980913854,11.648937,area,,,,,,,,,,,293879.6,312560.62,289995.66,290611.56,279321.6,371432.4,279763.62,418198.38,439090.8,381772.0,400274.16,198002.89, 1471,396.2363286809719,11.677346,area,,,,,,,,,,,329759.72,263568.28,298865.1,250809.75,319870.97,339793.16,349067.88,345184.25,357429.75,302977.78,312984.56,391356.94, 1473,234.1446648417694,11.690246,area,,,,,,,,,,,1400073.6,1260441.6,1557146.0,1217907.6,1426242.2,1630127.1,1434135.4,1744339.0,1748388.4,1627118.5,1707309.9,2066558.4, 1485,261.15555602427605,11.726382,area,,,,,,,,,,,836048.1,732029.6,942337.7,636266.6,845160.94,1101919.8,859243.4,1288012.2,1323773.2,1138171.6,1233571.9,1688338.5, 1487,289.1616430518823,11.733912,area,,,,,,,,,,,387840.5,345633.62,386684.5,309255.2,385760.38,463099.03,399453.03,506053.12,525191.56,450222.2,489248.56,617835.25, 1488,182.9849459620996,11.736179,area,,,,,,,,,,,35360.348,40524.72,495699.0,64042.46,80447.21,100913.8,47267.613,202680.45,29800.014,297906.9,168795.45,31024.254, 1492,304.02686844036094,11.8071165,area,,,,,,,,,,,97619.24,111556.64,95405.42,90372.16,101001.94,114779.49,97137.805,107144.01,124309.195,103945.43,100544.22,120814.35, 1499,151.03510544906462,11.850545,area,,,,,,,,,,,212091.22,218022.28,126141.76,253334.9,220382.02,269679.8,219853.05,162381.95,190614.73,215435.67,234170.6,245794.23, 1503,278.9867347050311,11.727371,area,,,,,,,,,,,61870.68,64505.133,80756.13,50957.05,59098.117,124850.875,51537.51,170189.48,194873.92,143421.05,191213.89,558226.4, 1509,304.0269243781329,11.844499,area,,,,,,,,,,,47098.97,53376.055,182900.72,0.0,47162.6,208892.53,44865.316,270324.9,309115.6,208539.66,272815.66,434548.0, 1510,151.03514920449794,11.8673315,area,,,,,,,,,,,259312.95,268569.97,545222.8,154765.47,307807.8,514291.47,300125.1,611903.5,691839.1,473870.44,578611.2,789341.3, 1515,376.2189013075872,11.939273,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,9515.527,0.0,32744.295,43099.875,20271.393,43743.605,151103.23, 1521,473.3444755147893,12.102442,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6175.0195,0.0,0.0,58076.99, 1522,298.05247964856613,12.136988,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,62760.965, 1523,173.13408485930873,12.497563,area,,,,,,,,,,,41175.863,29929.066,27959.51,27881.027,41142.883,40664.668,44087.793,39540.586,43486.258,34911.62,39464.895,50407.605, 1524,427.0952727376404,12.633031,area,,,,,,,,,,,37741.87,40995.332,22490.94,24986.568,32812.316,39882.043,30570.252,26898.9,49675.996,19022.951,30837.477,34381.47, 1525,182.98494465025965,12.898163,area,,,,,,,,,,,3449.811,1535.6404,260070.89,10879.061,29773.426,30019.666,3227.281,42950.375,4919.2573,60267.812,36249.797,5334.8574, 1527,167.01271717741983,12.917134,area,,,,,,,,,,,2604201.2,2782303.2,2065342.4,2781182.8,2606601.2,2486000.5,2530208.5,2430576.5,2447956.5,2377729.8,2494266.8,2252691.5, 1528,255.94395639690367,12.917243,area,,,,,,,,,,,707784.5,831365.1,497380.88,748620.75,671023.56,641029.6,562733.3,624038.75,682684.56,602417.3,645113.44,606586.06, 1530,385.9017133531906,12.921013,area,,,,,,,,,,,281068.2,298149.28,195892.03,307446.38,259850.11,254709.47,244456.72,246511.67,274824.47,239529.42,255653.73,245500.03, 1531,143.99665492800966,12.922867,area,,,,,,,,,,,413874.6,458890.53,247420.12,449382.97,392038.9,355049.47,322684.75,336708.8,371189.56,317731.16,352308.5,327711.47, 1533,125.98620278672723,12.925508,area,,,,,,,,,,,1709049.9,1821269.4,1219099.4,1769170.0,1636642.9,1528172.4,1622968.9,1482996.0,1569167.9,1405914.6,1518780.1,1430300.6, 1536,282.9047940378916,12.953278,area,,,,,,,,,,,321426.94,252705.1,207358.69,298092.75,283612.53,291166.97,231260.69,281800.0,264246.66,272868.66,296690.84,276784.06, 1539,491.7875226546853,13.435786,area,,,,,,,,,,,61066.81,48578.76,25329.035,37904.656,57856.516,45552.875,59047.48,47835.453,54563.336,38371.023,46166.363,58786.875, 1540,167.01272908201915,14.068723,area,,,,,,,,,,,72880.61,76381.71,63325.156,75117.266,72286.3,602372.7,69278.02,64863.812,71445.984,67401.734,71040.66,69369.4, 1541,241.03094812769385,14.083734,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,28502.912,0.0,0.0,0.0,0.0,1821.448,0.0, 1542,125.9861272213276,14.077281,area,,,,,,,,,,,0.0,5013.006,0.0,1994.9275,0.0,243018.05,0.0,0.0,1897.5315,0.0,30196.88,0.0, 1543,241.03092328785684,14.2579565,area,,,,,,,,,,,0.0,2215.1133,0.0,1748.4883,10441.299,47667.05,1827.3862,5412.2646,2740.203,0.0,30779.076,12310.509, 1544,125.98610652607104,14.2632475,area,,,,,,,,,,,78955.92,70447.99,35566.24,59197.535,45979.6,107082.75,61341.965,37029.438,52999.48,0.0,311683.6,45436.67, 1545,125.9860987016528,14.282119,area,,,,,,,,,,,454237.3,402596.8,431550.7,403381.25,387199.25,96381.15,496155.4,407448.1,454455.6,387550.06,108037.52,483080.28, 1546,167.01266837053672,14.29509,area,,,,,,,,,,,953960.4,873417.44,906602.06,1052621.8,1022971.8,186943.3,997921.94,1012665.2,898108.9,954977.1,734298.75,1006927.2, 1547,241.03092878208284,14.737781,area,,,,,,,,,,,1750.322,4347.5596,1679.5261,1940.4392,2702.0063,3877.5166,2223.5022,93234.305,8120.42,13428.536,7104.557,19438.18, 1548,241.03095848676367,15.381517,area,,,,,,,,,,,1897.7638,0.0,0.0,1981.4075,1997.3181,5073.856,0.0,31101.7,2809.059,0.0,2047.5376,19568.402, 1549,241.03092431621664,15.560758,area,,,,,,,,,,,0.0,0.0,0.0,13766.854,1968.9067,1772.5774,0.0,2769.794,2679.427,0.0,1782.7595,22020.832, 1550,125.98607678073093,19.125986,area,,,,,,,,,,,79957.86,74314.78,73496.66,72748.42,77799.0,71722.414,72860.37,367704.62,305758.75,73247.81,73806.44,74796.04, 1551,125.986068468798,19.237349,area,,,,,,,,,,,368910.84,75911.375,349644.53,73134.29,69929.29,73565.055,69297.9,69779.516,72317.79,68771.016,73567.57,73906.17, nf_output/MSNLIB-POSITIVE.mgf.tsv0000644000000000000000000000000114777454545015346 0ustar rootroot nf_output/GNPS-MSMLS.mgf.tsv0000644000000000000000000000000114777454540014555 0ustar rootroot nf_output/LEAFBOT.mgf.tsv0000644000000000000000000000000114777454540014171 0ustar rootroot nf_output/GNPS-SAM-SIK-KANG-LEGACY-LIBRARY.mgf.tsv0000644000000000000000000000000114777454540017510 0ustar rootroot nf_output/GNPS-NUTRI-METAB-FEM-POS.mgf.tsv0000644000000000000000000000000114777454540016455 0ustar rootroot nf_output/PNNL-LIPIDS-POSITIVE.mgf.tsv0000644000000000000000000000000114777454540016106 0ustar rootroot nf_output/GNPS-COLLECTIONS-MISC.mgf.tsv0000644000000000000000000000000114777454540016171 0ustar rootroot nf_output/GNPS-COLLECTIONS-PESTICIDES-NEGATIVE.mgf.tsv0000644000000000000000000000000114777454540020272 0ustar rootroot nf_output/GNPS-NIH-NATURALPRODUCTSLIBRARY.mgf.tsv0000644000000000000000000000000114777454540017615 0ustar rootroot nf_output/MIADB.mgf.tsv0000644000000000000000000000000114777454540013731 0ustar rootroot nf_output/PSU-MSMLS.mgf.tsv0000644000000000000000000000000114777454540014455 0ustar rootroot nf_output/3-HYDROXY-ACYL-AMIDES-LIBRARY.mgf.tsv0000644000000000000000000000000114777454540017213 0ustar rootroot nf_output/WINE-DB-QTOF.mgf.tsv0000644000000000000000000000000114777454540014711 0ustar rootroot nf_output/HCE-CELL-LYSATE-LIPIDS.mgf.tsv0000644000000000000000000000000114777454540016212 0ustar rootroot nf_output/IQAMDB.mgf.tsv0000644000000000000000000000000114777454540014052 0ustar rootroot nf_output/GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE.mgf.tsv0000644000000000000000000000000114777454540022170 0ustar rootroot nf_output/GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE.mgf.tsv0000644000000000000000000000000114777454540021543 0ustar rootroot nf_output/GNPS-EMBL-MCF.mgf.tsv0000644000000000000000000000000114777454540015004 0ustar rootroot nf_output/MONA.mgf.tsv0000644000000000000000000000000114777454545013654 0ustar rootroot nf_output/filesummary/0000755000000000000000000000000014777454540014155 5ustar rootrootnf_output/filesummary/summaryresult.tsv0000644000000000000000000000000114777454540017636 0ustar rootroot nf_output/GNPS-PRESTWICKPHYTOCHEM.mgf.tsv0000644000000000000000000000000114777454540016516 0ustar rootroot nf_output/metadata/0000755000000000000000000000000014777454540013400 5ustar rootrootnf_output/metadata/merged_metadata.tsv0000644000000000000000000000000114777454540017230 0ustar rootroot nf_output/GNPS-NIH-CLINICALCOLLECTION1.mgf.tsv0000644000000000000000000000000114777454540017111 0ustar rootroot nf_output/LDB_POSITIVE.mgf.tsv0000644000000000000000000000000114777454540015040 0ustar rootroot nf_output/TUEBINGEN-NATURAL-PRODUCT-COLLECTION.mgf.tsv0000644000000000000000000000000114777454540020310 0ustar rootroot nf_output/XANTHONES-DB.mgf.tsv0000644000000000000000000000000114777454540014747 0ustar rootroot nf_output/NEO-MSMS.mgf.tsv0000644000000000000000000000000114777454540014313 0ustar rootroot nf_output/PHENOLICSDB.mgf.tsv0000644000000000000000000000000114777454540014647 0ustar rootroot nf_output/GNPS-SCIEX-LIBRARY.mgf.tsv0000644000000000000000000000000114777454540015637 0ustar rootroot nf_output/GNPS-FAULKNERLEGACY.mgf.tsv0000644000000000000000000000000114777454540015756 0ustar rootroot nf_output/BIRMINGHAM-UHPLC-MS-NEG.mgf.tsv0000644000000000000000000000000114777454540016327 0ustar rootroot nf_output/temp_pairs/0000755000000000000000000000000014777454557013773 5ustar rootrootnf_output/temp_pairs/0.params_aligns.tsv0000644000000000000000000010676414777454557017525 0ustar rootrootCLUSTERID1 CLUSTERID2 DeltaMZ MinRatio Cosine AlignScore2 AlignScore3 2 3 1.003 0.000 0.9345 0.8545 1 2 4 29.035 0.000 0.8096 0.4968 1 2 5 46.061 0.000 0.9164 0.7965 1 3 4 28.031 0.000 0.8896 0.6015 1 3 5 45.058 0.000 0.9447 0.8866 1 4 5 17.026 0.000 0.8945 0.6367 1 18 24 -2.035 0.000 0.7107 0.6657 1 18 25 -1.032 0.000 0.8780 0.7753 1 18 27 14.991 0.000 0.8004 0.8059 1 18 34 15.995 0.000 0.7902 0.6726 1 18 56 14.991 0.000 0.7747 0.7868 1 18 70 -1.032 0.000 0.7847 0.8447 1 18 73 15.995 0.000 0.7276 0.5247 1 24 25 1.003 0.000 0.8494 0.6774 1 24 27 17.027 0.000 0.8424 0.5907 1 24 34 18.030 0.000 0.8478 0.6750 1 24 56 17.027 0.000 0.8115 0.5893 1 24 67 0.000 0.000 0.9222 0.7999 1 24 70 1.004 0.000 0.8900 0.7022 1 24 73 18.030 0.000 0.8523 0.6976 1 25 27 16.023 0.000 0.8643 0.7392 1 25 34 17.027 0.000 0.8109 0.6055 1 25 56 16.023 0.000 0.8543 0.7628 1 25 67 -1.003 0.000 0.8760 0.7235 1 25 70 0.000 0.000 0.9170 0.8300 1 25 73 17.027 0.000 0.7960 0.5643 1 27 34 1.003 0.000 0.9492 0.7990 1 27 56 0.000 0.000 0.9886 0.9449 1 27 67 -17.027 0.000 0.8973 0.6664 1 27 70 -16.023 0.000 0.9118 0.8296 1 27 73 1.003 0.000 0.8901 0.6539 1 34 56 -1.003 0.000 0.9392 0.8349 1 34 67 -18.030 0.000 0.8930 0.7452 1 34 70 -17.026 0.000 0.9083 0.7299 1 34 73 0.000 0.000 0.9267 0.7516 1 38 62 0.000 0.000 0.9903 0.8702 1 56 67 -17.027 0.000 0.8697 0.6703 1 56 70 -16.023 0.000 0.8905 0.8123 1 56 73 1.003 0.000 0.8599 0.6622 1 67 70 1.003 0.000 0.9450 0.7891 1 67 73 18.030 0.000 0.8791 0.7615 1 70 73 17.027 0.000 0.8919 0.6740 1 77 79 -1.004 0.000 0.9714 0.9060 1 83 84 18.010 0.000 0.8787 0.7225 1 83 86 17.007 0.000 0.8619 0.7071 1 84 86 -1.003 0.000 0.9654 0.9547 1 98 103 1.003 0.000 0.9562 0.8925 1 103 107 -33.984 0.000 0.8888 0.6827 1 103 113 -33.984 0.000 0.8812 0.6827 1 103 114 14.016 0.000 0.9624 0.8128 1 103 130 14.016 0.000 0.9145 0.8128 1 103 278 -23.975 0.000 0.8001 0.6514 1 103 305 -23.975 0.000 0.7950 0.6514 1 107 113 -0.000 0.000 0.9995 1.0000 1 107 114 48.000 0.000 0.9054 0.8350 1 107 130 48.000 0.000 0.8792 0.8024 1 110 111 -1.003 0.000 0.9937 0.9691 1 113 114 48.000 0.000 0.8962 0.8350 1 113 130 48.000 0.000 0.8758 0.8024 1 114 130 0.000 0.000 0.9450 1.0000 1 121 127 -14.016 0.000 0.7126 0.6222 1 129 131 1.998 0.000 0.9824 0.9227 1 137 205 56.062 0.000 0.7524 0.6059 1 137 207 56.063 0.000 0.7246 0.5434 1 137 215 70.078 0.000 0.7539 0.5109 1 137 220 70.078 0.000 0.7665 0.5109 1 137 253 84.094 0.000 0.7607 0.5193 1 137 321 98.109 0.000 0.7429 0.5193 1 138 182 -0.010 0.000 1.0000 1.0000 1 156 187 0.000 0.000 0.9542 0.7368 1 166 238 28.989 0.000 0.9044 0.6470 1 166 240 29.993 0.000 0.9436 0.7987 1 171 173 1.004 0.000 0.9438 0.8957 1 181 205 33.984 0.000 0.8287 0.7611 1 181 207 33.984 0.000 0.8502 0.7611 1 181 215 48.000 0.000 0.8857 0.8218 1 181 220 48.000 0.000 0.8689 0.8218 1 181 253 62.016 0.000 0.7998 0.8218 1 181 321 76.031 0.000 0.7494 0.7708 1 181 1409 -16.957 0.000 0.8133 0.6348 1 205 207 0.000 0.000 0.9813 0.9352 1 205 215 14.016 0.000 0.9217 0.9192 1 205 220 14.016 0.000 0.8702 0.8269 1 205 253 28.031 0.000 0.8302 0.8269 1 205 315 27.036 0.000 0.7008 0.7370 1 205 321 42.047 0.000 0.7476 0.7107 1 205 348 27.036 0.000 0.7037 0.7154 1 205 476 44.063 0.000 0.7069 0.7534 1 205 591 27.036 0.000 0.7013 0.6690 1 207 215 14.016 0.000 0.9426 0.9192 1 207 220 14.016 0.000 0.8919 0.8853 1 207 253 28.031 0.000 0.8501 0.8853 1 207 315 27.036 0.000 0.7156 0.7370 1 207 321 42.047 0.000 0.7629 0.7464 1 207 348 27.036 0.000 0.7191 0.7154 1 207 591 27.036 0.000 0.7024 0.6479 1 207 1348 27.036 0.000 0.7088 0.6949 1 215 220 0.000 0.000 0.9877 0.9493 1 215 253 14.016 0.000 0.9747 0.9493 1 215 315 13.020 0.000 0.8536 0.8485 1 215 321 28.031 0.000 0.9345 0.9082 1 215 348 13.020 0.000 0.8520 0.8153 1 215 591 13.020 0.000 0.8364 0.7406 1 215 1324 13.021 0.000 0.8308 0.7659 1 215 1348 13.020 0.000 0.8399 0.7936 1 220 253 14.016 0.000 0.9937 1.0000 1 220 315 13.020 0.000 0.8432 0.7867 1 220 321 28.031 0.000 0.9381 0.8674 1 220 348 13.020 0.000 0.8396 0.7521 1 220 591 13.020 0.000 0.8266 0.6883 1 220 1324 13.021 0.000 0.8182 0.7076 1 220 1348 13.020 0.000 0.8316 0.7377 1 228 229 -1.003 0.000 0.9728 0.9396 1 238 240 1.004 0.000 0.9855 0.9242 1 253 315 -0.995 0.000 0.8543 0.7867 1 253 321 14.016 0.000 0.9575 0.8926 1 253 348 -0.995 0.000 0.8480 0.7521 1 253 591 -0.995 0.000 0.8363 0.6883 1 253 1324 -0.995 0.000 0.8258 0.7076 1 253 1348 -0.995 0.000 0.8429 0.7377 1 259 281 1.003 0.000 0.9678 0.8489 1 259 315 -16.023 0.000 0.7221 0.7829 1 259 391 1.003 0.000 0.9604 0.8227 1 278 305 0.000 0.000 0.9865 0.9369 1 278 1187 79.042 0.000 0.7230 0.5145 1 286 311 0.000 0.000 0.9837 0.9431 1 286 442 16.031 0.000 0.9308 0.8083 1 286 490 16.031 0.000 0.9325 0.8592 1 286 499 16.031 0.000 0.8357 0.7235 1 286 510 16.031 0.000 0.8428 0.8011 1 286 686 -49.979 0.000 0.9017 0.5914 1 286 691 42.047 0.000 0.9664 0.8882 1 286 695 42.047 0.000 0.9682 0.8046 1 286 822 56.062 0.000 0.9561 0.8519 1 286 865 26.052 0.000 0.8419 0.5630 1 305 1187 79.042 0.000 0.7278 0.5386 1 307 391 0.000 0.000 0.9946 0.9345 1 311 362 -33.984 0.000 0.9710 0.8262 1 311 442 16.031 0.000 0.9426 0.8479 1 311 490 16.031 0.000 0.9427 0.8967 1 311 499 16.031 0.000 0.8474 0.7606 1 311 510 16.031 0.000 0.8545 0.8416 1 311 686 -49.979 0.000 0.9216 0.6393 1 311 691 42.047 0.000 0.9661 0.8887 1 311 695 42.047 0.000 0.9690 0.8046 1 311 822 56.062 0.000 0.9567 0.8519 1 311 865 26.052 0.000 0.8431 0.5630 1 315 321 15.011 0.000 0.8916 0.7867 1 315 348 0.000 0.000 0.9900 0.9573 1 315 391 17.027 0.000 0.7060 0.7090 1 315 591 0.000 0.000 0.9811 0.8779 1 315 1324 0.000 0.000 0.9479 0.8615 1 315 1348 -0.000 0.000 0.9921 0.9475 1 321 348 -15.011 0.000 0.8874 0.7949 1 321 591 -15.011 0.000 0.8765 0.7094 1 321 1324 -15.011 0.000 0.8592 0.7076 1 321 1348 -15.011 0.000 0.8766 0.7377 1 348 591 0.000 0.000 0.9724 0.8779 1 348 1324 0.000 0.000 0.9410 0.8615 1 348 1348 -0.000 0.000 0.9828 0.9475 1 361 498 14.016 0.000 0.8205 0.5959 1 361 679 16.031 0.000 0.8914 0.6356 1 361 693 16.031 0.000 0.8579 0.7394 1 361 912 26.052 0.000 0.7334 0.4806 1 362 442 50.016 0.000 0.9410 0.7517 1 362 490 50.016 0.000 0.9416 0.7969 1 362 499 50.016 0.000 0.8499 0.6570 1 362 510 50.016 0.000 0.8567 0.7256 1 362 686 -15.995 0.000 0.9174 0.5707 1 362 865 60.036 0.000 0.8516 0.5301 1 371 392 0.000 0.000 0.9795 0.8745 1 372 390 1.003 0.000 0.9863 0.8807 1 372 414 0.000 0.000 0.9972 0.9600 1 378 380 17.027 0.000 0.9243 0.7898 1 378 384 17.027 0.000 0.9249 0.7898 1 378 415 17.027 0.000 0.9243 0.7898 1 380 384 0.000 0.000 0.9936 0.8854 1 380 415 0.000 0.000 0.9938 0.8854 1 384 415 0.000 0.000 0.9998 1.0000 1 432 439 -2.007 0.000 0.9572 0.8567 1 432 466 -2.007 0.000 0.9591 0.8592 1 439 440 1.003 0.000 0.9837 0.9051 1 439 465 1.003 0.000 0.9837 0.9042 1 439 466 0.000 0.000 0.9993 0.9845 1 439 505 1.003 0.000 0.9817 0.9045 1 439 506 2.007 0.000 0.9687 0.8751 1 440 466 -1.003 0.000 0.9849 0.9073 1 442 490 -0.000 0.000 0.9922 0.9233 1 442 499 0.000 0.000 0.9169 0.8753 1 442 510 0.000 0.000 0.9203 0.9233 1 442 686 -66.010 0.000 0.8843 0.6563 1 442 691 26.016 0.000 0.9544 0.8507 1 442 695 26.016 0.000 0.9489 0.8346 1 442 822 40.031 0.000 0.9472 0.8507 1 442 865 10.020 0.000 0.8535 0.5969 1 442 1124 -40.006 0.000 0.8044 0.6310 1 460 471 0.000 0.000 0.9907 0.9577 1 460 640 14.016 0.000 0.7932 0.6903 1 460 660 16.031 0.000 0.8493 0.8889 1 465 466 -1.003 0.000 0.9847 0.9036 1 466 505 1.003 0.000 0.9817 0.9058 1 466 506 2.007 0.000 0.9696 0.8774 1 471 640 14.016 0.000 0.7377 0.6290 1 471 660 16.031 0.000 0.7930 0.8523 1 471 1023 -23.975 0.000 0.7350 0.6281 1 476 979 12.966 0.000 0.8146 0.7041 1 476 1171 11.982 0.000 0.7152 0.6728 1 490 499 0.000 0.000 0.9151 0.8574 1 490 510 0.000 0.000 0.9214 0.9452 1 490 686 -66.010 0.000 0.8836 0.6665 1 490 691 26.016 0.000 0.9574 0.9033 1 490 695 26.016 0.000 0.9545 0.8589 1 490 822 40.031 0.000 0.9504 0.8679 1 490 865 10.020 0.000 0.8562 0.5969 1 498 679 2.016 0.000 0.8761 0.8009 1 498 693 2.015 0.000 0.7507 0.6404 1 498 912 12.036 0.000 0.7202 0.6939 1 499 510 0.000 0.000 0.9910 0.9080 1 499 686 -66.010 0.000 0.8099 0.6832 1 499 691 26.016 0.000 0.8634 0.7436 1 499 695 26.016 0.000 0.8619 0.8598 1 499 822 40.031 0.000 0.8398 0.7436 1 499 865 10.020 0.000 0.7613 0.5969 1 499 1124 -40.006 0.000 0.7809 0.6700 1 502 505 -1.003 0.000 0.9877 0.9344 1 502 506 0.000 0.000 0.9967 0.9320 1 502 1187 -23.975 0.000 0.9550 0.7103 1 506 1187 -23.975 0.000 0.9549 0.7103 1 510 686 -66.010 0.000 0.8053 0.6317 1 510 691 26.016 0.000 0.8700 0.8215 1 510 695 26.016 0.000 0.8631 0.8346 1 510 822 40.031 0.000 0.8456 0.8215 1 510 865 10.020 0.000 0.7665 0.5969 1 559 617 0.000 0.000 0.9240 0.7920 1 573 621 0.000 0.000 0.9958 0.8788 1 586 606 -3.019 0.000 0.9776 0.9226 1 586 701 -3.019 0.000 0.9767 0.8767 1 586 1069 20.008 0.000 0.7497 0.7995 1 591 1324 0.000 0.000 0.9340 0.8384 1 591 1348 -0.000 0.000 0.9905 0.9345 1 606 701 0.000 0.000 0.9888 0.8863 1 606 911 33.012 0.000 0.8554 0.6323 1 622 628 -1.003 0.000 0.9902 0.9583 1 622 1187 -23.975 0.000 0.9554 0.7052 1 678 679 1.003 0.000 0.9431 0.9075 1 678 693 1.003 0.000 0.7941 0.6072 1 679 693 -0.000 0.000 0.8841 0.7464 1 679 912 10.021 0.000 0.7593 0.7345 1 686 691 92.026 0.000 0.9094 0.6203 1 686 695 92.026 0.000 0.9231 0.7461 1 686 822 106.042 0.000 0.9107 0.6524 1 686 865 76.031 0.000 0.8540 0.7202 1 686 1124 26.004 0.000 0.7990 0.6009 1 691 695 -0.000 0.000 0.9831 0.8367 1 691 822 14.016 0.000 0.9888 0.9453 1 691 865 -15.995 0.000 0.8720 0.6220 1 695 822 14.016 0.000 0.9840 0.8653 1 695 865 -15.995 0.000 0.8815 0.7151 1 695 1124 -66.022 0.000 0.7757 0.6294 1 729 733 -135.975 0.000 0.7713 0.6258 1 729 743 -135.975 0.000 0.7773 0.6965 1 729 753 0.000 0.000 0.9979 0.9848 1 729 754 -67.987 0.000 0.9926 0.8901 1 729 768 -67.987 0.000 0.9874 0.8755 1 729 783 0.000 0.000 0.9930 0.8425 1 730 754 0.000 0.000 0.9921 0.9031 1 733 743 0.000 0.000 0.9919 0.8795 1 733 753 135.975 0.000 0.7650 0.6258 1 733 754 67.987 0.000 0.7420 0.6496 1 733 772 0.000 0.000 0.9880 0.8583 1 733 783 135.975 0.000 0.7608 0.6258 1 733 798 0.000 0.000 0.9890 0.8583 1 743 753 135.975 0.000 0.7724 0.6965 1 743 754 67.987 0.000 0.7301 0.6843 1 743 763 203.962 0.000 0.8453 0.7661 1 743 772 0.000 0.000 0.9923 0.9573 1 743 783 135.975 0.000 0.7673 0.6965 1 743 798 0.000 0.000 0.9940 0.9573 1 752 763 0.000 0.000 0.9737 0.7640 1 753 754 -67.987 0.000 0.9936 0.8901 1 753 768 -67.987 0.000 0.9887 0.8755 1 753 783 0.000 0.000 0.9926 0.8425 1 754 763 135.975 0.000 0.9117 0.7570 1 754 768 0.000 0.000 0.9857 0.8755 1 754 772 -67.987 0.000 0.7559 0.7137 1 754 798 -67.987 0.000 0.7460 0.7265 1 763 768 -135.975 0.000 0.9089 0.7554 1 763 783 -67.987 0.000 0.9244 0.7541 1 768 772 -67.987 0.000 0.7528 0.7097 1 768 783 67.987 0.000 0.9825 0.8425 1 768 798 -67.987 0.000 0.7444 0.7265 1 772 783 135.975 0.000 0.7987 0.7257 1 772 798 0.000 0.000 0.9982 0.9810 1 783 798 -135.975 0.000 0.7858 0.7382 1 820 858 -0.000 0.000 0.8715 0.6578 1 822 865 -30.011 0.000 0.8781 0.6482 1 826 837 -75.014 0.000 0.9555 0.8983 1 842 850 0.000 0.000 0.9998 1.0000 1 845 1126 -72.021 0.000 0.7196 0.5403 1 845 1409 0.000 0.000 0.9717 0.7518 1 845 1415 -1.996 0.000 0.7891 0.4986 1 845 1549 0.000 0.000 0.9956 1.0000 1 858 865 14.016 0.000 0.7648 0.6537 1 865 1124 -50.027 0.000 0.7808 0.6320 1 870 1259 -0.036 0.000 0.7475 0.5048 1 871 1118 42.047 0.000 0.7473 0.6463 1 879 924 -0.000 0.000 0.9752 0.8094 1 879 1023 14.016 0.000 0.9856 0.8697 1 879 1187 113.084 0.000 0.8734 0.5233 1 879 1192 112.081 0.000 0.9082 0.6355 1 879 1216 42.047 0.000 0.9840 0.8945 1 879 1258 12.036 0.000 0.9504 0.7752 1 879 1266 56.063 0.000 0.9468 0.7486 1 904 920 14.016 0.000 0.8150 0.6948 1 904 980 -69.021 0.000 0.7636 0.6236 1 904 1029 -71.074 0.000 0.7081 0.6130 1 904 1175 -57.058 0.000 0.7384 0.6761 1 904 1342 -29.027 0.000 0.7701 0.7113 1 904 1345 -30.030 0.000 0.8035 0.7727 1 904 1356 -60.041 0.000 0.7289 0.5851 1 904 1367 -15.011 0.000 0.8121 0.7507 1 904 1378 -87.032 0.000 0.7241 0.6236 1 904 1388 -45.021 0.000 0.7907 0.7007 1 904 1466 -45.883 0.000 0.7695 0.6654 1 920 980 -83.037 0.000 0.7183 0.5452 1 920 988 -158.084 0.000 0.7172 0.6452 1 920 1016 -119.073 0.000 0.7113 0.6314 1 920 1029 -85.089 0.000 0.7509 0.6028 1 920 1079 -85.089 0.000 0.7549 0.5831 1 920 1175 -71.074 0.000 0.7562 0.6105 1 920 1181 -135.068 0.000 0.7404 0.6322 1 920 1242 27.995 0.000 0.7098 0.5917 1 920 1256 -69.058 0.000 0.7055 0.6064 1 920 1272 27.995 0.000 0.7260 0.6644 1 920 1342 -43.042 0.000 0.7966 0.6614 1 920 1355 -73.053 0.000 0.7501 0.5786 1 920 1356 -74.057 0.000 0.7305 0.5501 1 920 1367 -29.027 0.000 0.8472 0.7250 1 920 1378 -101.048 0.000 0.7322 0.5373 1 920 1388 -59.037 0.000 0.7819 0.6416 1 920 1426 -100.063 0.000 0.7078 0.5145 1 920 1466 -59.899 0.000 0.7342 0.6019 1 922 982 14.016 0.000 0.9872 1.0000 1 922 1157 0.948 0.000 0.7454 0.7832 1 922 1174 12.037 0.000 0.7876 0.5939 1 924 1023 14.016 0.000 0.9771 0.8688 1 924 1216 42.047 0.000 0.9661 0.8671 1 924 1258 12.036 0.000 0.9503 0.8973 1 924 1266 56.063 0.000 0.9368 0.8203 1 928 929 1.003 0.000 0.9881 1.0000 1 944 1053 -85.089 0.000 0.7887 0.6668 1 944 1054 -86.093 0.000 0.7668 0.6473 1 944 1071 27.047 0.000 0.8018 0.7445 1 944 1111 -85.089 0.000 0.8019 0.6548 1 944 1112 -86.093 0.000 0.7702 0.6406 1 944 1195 -71.074 0.000 0.8018 0.7607 1 944 1362 -43.042 0.000 0.8039 0.7607 1 944 1371 -73.053 0.000 0.7369 0.5662 1 944 1389 -29.027 0.000 0.8681 0.7607 1 944 1407 -101.048 0.000 0.8118 0.6884 1 944 1457 -100.063 0.000 0.7919 0.6812 1 944 1473 -59.037 0.000 0.7990 0.6664 1 945 1290 0.948 0.000 0.8219 0.5956 1 957 975 0.000 0.000 0.9882 0.9501 1 979 1171 -0.984 0.000 0.9294 0.9131 1 980 988 -75.047 0.000 0.7098 0.6930 1 980 1016 -36.036 0.000 0.7608 0.7544 1 980 1029 -2.052 0.000 0.7314 0.7850 1 980 1079 -2.052 0.000 0.7338 0.7710 1 980 1128 -2.052 0.000 0.7138 0.7929 1 980 1175 11.964 0.000 0.7258 0.7860 1 980 1181 -52.031 0.000 0.7464 0.7544 1 980 1209 11.964 0.000 0.7483 0.8230 1 980 1342 39.995 0.000 0.7754 0.7023 1 980 1355 9.984 0.000 0.7411 0.7251 1 980 1367 54.010 0.000 0.8641 0.7383 1 980 1378 -18.011 0.000 0.7858 0.7901 1 980 1388 24.000 0.000 0.7665 0.7098 1 980 1426 -17.026 0.000 0.7570 0.7514 1 980 1487 -3.011 0.000 0.7175 0.6671 1 982 1174 -1.979 0.000 0.8306 0.5939 1 982 1252 0.948 0.000 0.7868 0.7755 1 988 1016 39.011 0.000 0.9167 0.8352 1 988 1029 72.995 0.000 0.9120 0.7661 1 988 1030 71.991 0.000 0.8435 0.6384 1 988 1079 72.995 0.000 0.9121 0.7515 1 988 1127 71.991 0.000 0.7288 0.6606 1 988 1128 72.995 0.000 0.7601 0.6970 1 988 1132 55.136 0.000 0.7325 0.6696 1 988 1135 55.039 0.000 0.7882 0.6696 1 988 1175 87.011 0.000 0.8960 0.7637 1 988 1181 23.016 0.000 0.9185 0.8325 1 988 1208 86.007 0.000 0.7139 0.6472 1 988 1209 87.011 0.000 0.7717 0.7385 1 988 1256 89.026 0.000 0.8498 0.6082 1 988 1342 115.042 0.000 0.8931 0.8413 1 988 1345 114.039 0.000 0.7701 0.6277 1 988 1355 85.031 0.000 0.8010 0.6278 1 988 1356 84.028 0.000 0.7585 0.5700 1 988 1367 129.057 0.000 0.7082 0.6776 1 988 1378 57.037 0.000 0.8676 0.6762 1 988 1388 99.047 0.000 0.8002 0.7231 1 988 1426 58.021 0.000 0.8703 0.6847 1 988 1437 -140.127 0.000 0.7520 0.5524 1 988 1466 98.185 0.000 0.7359 0.6549 1 988 1487 72.036 0.000 0.8639 0.6895 1 995 998 -257.102 0.000 0.7801 0.6148 1 999 1003 1.003 0.000 0.9817 0.8968 1 1016 1029 33.984 0.000 0.9696 0.8482 1 1016 1030 32.980 0.000 0.8414 0.6210 1 1016 1079 33.984 0.000 0.9583 0.8205 1 1016 1128 33.984 0.000 0.7707 0.7266 1 1016 1132 16.125 0.000 0.7902 0.7361 1 1016 1135 16.028 0.000 0.8439 0.7458 1 1016 1175 48.000 0.000 0.9667 0.8599 1 1016 1181 -15.995 0.000 0.9649 0.8861 1 1016 1209 48.000 0.000 0.7864 0.7560 1 1016 1256 50.016 0.000 0.8487 0.6184 1 1016 1342 76.031 0.000 0.9229 0.8543 1 1016 1345 75.028 0.000 0.7766 0.6285 1 1016 1355 46.020 0.000 0.8343 0.6703 1 1016 1356 45.017 0.000 0.7785 0.5921 1 1016 1367 90.047 0.000 0.7710 0.7482 1 1016 1378 18.026 0.000 0.9395 0.7679 1 1016 1388 60.036 0.000 0.8173 0.7430 1 1016 1426 19.010 0.000 0.8294 0.6264 1 1016 1487 33.025 0.000 0.8643 0.6845 1 1023 1216 28.031 0.000 0.9806 0.9351 1 1023 1258 -1.979 0.000 0.9519 0.8688 1 1023 1266 42.047 0.000 0.9483 0.8311 1 1029 1030 -1.004 0.000 0.9795 0.9645 1 1029 1079 0.000 0.000 0.9779 0.9327 1 1029 1127 -1.004 0.000 0.7384 0.7368 1 1029 1128 0.000 0.000 0.7560 0.7795 1 1029 1132 -17.859 0.000 0.7566 0.6260 1 1029 1135 -17.956 0.000 0.8156 0.6260 1 1029 1175 14.016 0.000 0.9840 0.9455 1 1029 1181 -49.979 0.000 0.9640 0.8883 1 1029 1209 14.016 0.000 0.7771 0.8252 1 1029 1256 16.032 0.000 0.8340 0.5294 1 1029 1342 42.047 0.000 0.9111 0.7921 1 1029 1345 41.044 0.000 0.8172 0.6639 1 1029 1355 12.036 0.000 0.8208 0.7136 1 1029 1356 11.033 0.000 0.7835 0.6522 1 1029 1367 56.063 0.000 0.7660 0.6930 1 1029 1378 -15.958 0.000 0.9349 0.8150 1 1029 1388 26.052 0.000 0.8167 0.8137 1 1029 1426 -14.974 0.000 0.8525 0.7282 1 1029 1437 -213.122 0.000 0.7501 0.5826 1 1029 1466 25.190 0.000 0.7156 0.6535 1 1029 1487 -0.959 0.000 0.8741 0.7948 1 1030 1079 1.004 0.000 0.9477 0.8962 1 1030 1127 0.000 0.000 0.7418 0.7130 1 1030 1128 1.004 0.000 0.7766 0.7804 1 1030 1132 -16.855 0.000 0.7007 0.5311 1 1030 1135 -16.953 0.000 0.7543 0.5311 1 1030 1175 15.019 0.000 0.8683 0.7411 1 1030 1181 -48.975 0.000 0.8689 0.7288 1 1030 1208 14.016 0.000 0.7772 0.7805 1 1030 1209 15.019 0.000 0.7169 0.7276 1 1030 1256 17.035 0.000 0.8269 0.5110 1 1030 1342 43.051 0.000 0.8946 0.7759 1 1030 1345 42.047 0.000 0.9049 0.7771 1 1030 1355 13.040 0.000 0.7997 0.7002 1 1030 1356 12.036 0.000 0.8458 0.7514 1 1030 1367 57.066 0.000 0.7382 0.6382 1 1030 1378 -14.955 0.000 0.8768 0.7567 1 1030 1388 27.056 0.000 0.7703 0.6792 1 1030 1426 -13.971 0.000 0.7914 0.6455 1 1030 1437 -212.118 0.000 0.7298 0.5753 1 1030 1466 26.194 0.000 0.7839 0.7541 1 1030 1487 0.045 0.000 0.7831 0.6513 1 1033 1051 -40.031 0.000 0.7057 0.6264 1 1033 1121 25.979 0.000 0.7952 0.6996 1 1033 1242 54.011 0.000 0.9144 0.8127 1 1033 1272 54.011 0.000 0.9092 0.7740 1 1033 1298 54.011 0.000 0.9388 0.8228 1 1036 1053 33.984 0.000 0.9738 0.7794 1 1036 1054 32.981 0.000 0.9386 0.7028 1 1036 1111 33.984 0.000 0.9677 0.7426 1 1036 1112 32.981 0.000 0.9328 0.6865 1 1036 1134 33.984 0.000 0.7797 0.8547 1 1036 1195 48.000 0.000 0.9847 0.9225 1 1036 1205 -15.995 0.000 0.9905 0.9149 1 1036 1289 50.016 0.000 0.7399 0.8547 1 1036 1354 76.031 0.000 0.9747 0.8494 1 1036 1362 76.031 0.000 0.8121 0.8394 1 1036 1371 46.020 0.000 0.8047 0.6896 1 1036 1389 90.047 0.000 0.9194 0.8403 1 1036 1407 18.026 0.000 0.9622 0.7756 1 1036 1457 19.010 0.000 0.9604 0.8221 1 1036 1473 60.036 0.000 0.8566 0.7721 1 1036 1485 33.025 0.000 0.7225 0.5322 1 1036 1521 -179.164 0.000 0.7167 0.5406 1 1039 1043 0.000 0.000 0.9853 0.9386 1 1053 1054 -1.003 0.000 0.9662 0.8487 1 1053 1067 111.133 0.000 0.7198 0.4497 1 1053 1071 112.136 0.000 0.7153 0.4479 1 1053 1111 0.000 0.000 0.9808 0.8744 1 1053 1112 -1.003 0.000 0.9668 0.8594 1 1053 1134 0.000 0.000 0.7685 0.6988 1 1053 1195 14.016 0.000 0.9867 0.8400 1 1053 1205 -49.979 0.000 0.9754 0.7507 1 1053 1276 112.081 0.000 0.8299 0.4479 1 1053 1289 16.031 0.000 0.7285 0.7251 1 1053 1354 42.047 0.000 0.9642 0.7091 1 1053 1362 42.047 0.000 0.8329 0.7972 1 1053 1365 12.036 0.000 0.9697 0.7772 1 1053 1371 12.036 0.000 0.8216 0.8095 1 1053 1389 56.063 0.000 0.9317 0.7984 1 1053 1407 -15.958 0.000 0.9660 0.8539 1 1053 1457 -14.974 0.000 0.9519 0.7917 1 1053 1473 26.052 0.000 0.8677 0.8261 1 1053 1485 -0.959 0.000 0.7263 0.5939 1 1054 1067 112.137 0.000 0.7035 0.4862 1 1054 1111 1.003 0.000 0.9742 0.8937 1 1054 1112 0.000 0.000 0.9956 0.9791 1 1054 1134 1.003 0.000 0.7567 0.6894 1 1054 1155 -56.018 0.000 0.7153 0.6201 1 1054 1195 15.019 0.000 0.9482 0.7166 1 1054 1205 -48.976 0.000 0.9469 0.7028 1 1054 1276 113.084 0.000 0.8425 0.4462 1 1054 1354 43.050 0.000 0.9568 0.7028 1 1054 1362 43.050 0.000 0.8177 0.7837 1 1054 1365 13.040 0.000 0.9538 0.7532 1 1054 1371 13.040 0.000 0.7844 0.7861 1 1054 1374 -15.939 0.000 0.7095 0.5440 1 1054 1389 57.066 0.000 0.9150 0.7837 1 1054 1407 -14.955 0.000 0.9614 0.8956 1 1054 1457 -13.971 0.000 0.9238 0.7318 1 1054 1473 27.055 0.000 0.8387 0.8534 1 1067 1069 19.014 0.000 0.8752 0.9076 1 1067 1071 1.003 0.000 0.9914 0.9570 1 1067 1111 -111.133 0.000 0.7213 0.4712 1 1067 1112 -112.137 0.000 0.7252 0.5023 1 1067 1276 0.948 0.000 0.8631 0.8903 1 1067 1279 18.977 0.000 0.8165 0.6447 1 1067 1281 1.951 0.000 0.8264 0.7207 1 1069 1071 -18.011 0.000 0.8687 0.9356 1 1069 1276 -18.066 0.000 0.9879 0.9386 1 1069 1279 -0.036 0.000 0.9895 0.9090 1 1071 1276 -0.056 0.000 0.8413 0.8782 1 1071 1279 17.974 0.000 0.8072 0.6454 1 1071 1281 0.948 0.000 0.8453 0.8549 1 1079 1127 -1.004 0.000 0.8083 0.7796 1 1079 1128 -0.000 0.000 0.8122 0.7800 1 1079 1132 -17.859 0.000 0.7432 0.5984 1 1079 1135 -17.957 0.000 0.8001 0.5984 1 1079 1175 14.016 0.000 0.9815 0.9418 1 1079 1181 -49.979 0.000 0.9601 0.8649 1 1079 1208 13.012 0.000 0.7047 0.6748 1 1079 1209 14.016 0.000 0.8238 0.7960 1 1079 1256 16.031 0.000 0.8415 0.5085 1 1079 1342 42.047 0.000 0.8944 0.7582 1 1079 1345 41.043 0.000 0.8000 0.6291 1 1079 1355 12.036 0.000 0.8458 0.7504 1 1079 1356 11.033 0.000 0.7821 0.6763 1 1079 1367 56.062 0.000 0.7592 0.6617 1 1079 1378 -15.958 0.000 0.9189 0.8161 1 1079 1388 26.052 0.000 0.8407 0.8111 1 1079 1426 -14.974 0.000 0.8395 0.7599 1 1079 1437 -213.122 0.000 0.7681 0.6684 1 1079 1466 25.190 0.000 0.7096 0.6189 1 1079 1487 -0.959 0.000 0.8542 0.7755 1 1085 1165 -27.011 0.000 0.7798 0.5930 1 1085 1258 -36.011 0.000 0.8988 0.8266 1 1085 1371 -27.048 0.000 0.7241 0.6725 1 1102 1107 0.885 0.000 0.9717 0.9362 1 1107 1134 99.068 0.000 0.7288 0.4546 1 1107 1155 42.047 0.000 0.8001 0.5945 1 1107 1157 99.068 0.000 0.7474 0.4848 1 1107 1159 14.016 0.000 0.8648 0.6963 1 1107 1252 113.084 0.000 0.7078 0.4657 1 1107 1263 12.036 0.000 0.8260 0.7555 1 1111 1112 -1.003 0.000 0.9804 0.9153 1 1111 1134 0.000 0.000 0.7930 0.6929 1 1111 1157 0.000 0.000 0.7065 0.6929 1 1111 1195 14.016 0.000 0.9844 0.8146 1 1111 1205 -49.979 0.000 0.9692 0.7141 1 1111 1252 14.016 0.000 0.7179 0.6929 1 1111 1289 16.031 0.000 0.7442 0.6861 1 1111 1354 42.047 0.000 0.9523 0.6666 1 1111 1362 42.047 0.000 0.8349 0.7289 1 1111 1365 12.036 0.000 0.9607 0.7341 1 1111 1371 12.036 0.000 0.8309 0.8001 1 1111 1389 56.063 0.000 0.9303 0.7574 1 1111 1407 -15.958 0.000 0.9646 0.8591 1 1111 1457 -14.974 0.000 0.9370 0.7287 1 1111 1473 26.052 0.000 0.8846 0.8311 1 1111 1485 -0.959 0.000 0.7391 0.6116 1 1112 1134 1.003 0.000 0.7734 0.6840 1 1112 1155 -56.018 0.000 0.7282 0.6199 1 1112 1195 15.019 0.000 0.9443 0.7048 1 1112 1205 -48.976 0.000 0.9411 0.6865 1 1112 1276 113.084 0.000 0.8260 0.4303 1 1112 1354 43.050 0.000 0.9486 0.6865 1 1112 1362 43.050 0.000 0.8258 0.7680 1 1112 1365 13.040 0.000 0.9471 0.7348 1 1112 1371 13.040 0.000 0.7898 0.7861 1 1112 1374 -15.939 0.000 0.7148 0.5591 1 1112 1389 57.066 0.000 0.9157 0.7680 1 1112 1407 -14.955 0.000 0.9562 0.8879 1 1112 1457 -13.971 0.000 0.9199 0.7138 1 1112 1473 27.055 0.000 0.8433 0.8368 1 1112 1485 0.044 0.000 0.7011 0.5734 1 1118 1437 -156.101 0.000 0.7416 0.5608 1 1121 1242 28.031 0.000 0.8797 0.7679 1 1121 1272 28.031 0.000 0.8731 0.7460 1 1121 1298 28.031 0.000 0.8484 0.5978 1 1126 1145 30.011 0.000 0.9104 0.7963 1 1126 1201 14.016 0.000 0.8950 0.7302 1 1126 1320 30.995 0.000 0.7851 0.6118 1 1126 1369 30.995 0.000 0.7586 0.5071 1 1126 1377 30.995 0.000 0.7698 0.6077 1 1126 1409 72.021 0.000 0.7598 0.7312 1 1126 1415 70.025 0.000 0.7135 0.7888 1 1126 1549 72.021 0.000 0.7474 0.5403 1 1127 1128 1.004 0.000 0.9790 0.9420 1 1127 1181 -48.975 0.000 0.7071 0.6815 1 1127 1208 14.016 0.000 0.9787 0.9274 1 1127 1209 15.019 0.000 0.7258 0.6644 1 1127 1243 -60.024 0.000 0.7188 0.4114 1 1127 1256 17.035 0.000 0.7079 0.4477 1 1127 1345 42.047 0.000 0.7230 0.6600 1 1127 1356 12.036 0.000 0.8052 0.7155 1 1127 1388 27.056 0.000 0.7193 0.6629 1 1127 1466 26.194 0.000 0.8424 0.8016 1 1128 1134 28.006 0.000 0.7206 0.4379 1 1128 1157 28.006 0.000 0.7678 0.4908 1 1128 1175 14.016 0.000 0.7427 0.7616 1 1128 1181 -49.979 0.000 0.8113 0.7941 1 1128 1208 13.012 0.000 0.7739 0.7910 1 1128 1209 14.016 0.000 0.9834 0.9406 1 1128 1243 -61.027 0.000 0.7089 0.3757 1 1128 1256 16.032 0.000 0.8988 0.5790 1 1128 1342 42.047 0.000 0.7241 0.6683 1 1128 1345 41.044 0.000 0.7062 0.6601 1 1128 1355 12.036 0.000 0.8233 0.7796 1 1128 1367 56.063 0.000 0.7199 0.6806 1 1128 1378 -15.958 0.000 0.7266 0.7093 1 1128 1388 26.052 0.000 0.8807 0.8575 1 1132 1135 -0.098 0.000 0.9902 1.0000 1 1132 1175 31.874 0.000 0.7546 0.6311 1 1132 1181 -32.120 0.000 0.7469 0.6573 1 1132 1342 59.906 0.000 0.7498 0.6115 1 1132 1345 58.902 0.000 0.7103 0.5902 1 1132 1355 29.895 0.000 0.7036 0.5614 1 1132 1378 1.900 0.000 0.7161 0.5398 1 1132 1426 2.884 0.000 0.7074 0.4922 1 1134 1157 0.000 0.000 0.9793 0.8997 1 1134 1159 -85.053 0.000 0.7455 0.5220 1 1134 1165 12.073 0.000 0.7623 0.6441 1 1134 1195 14.016 0.000 0.7706 0.8250 1 1134 1205 -49.979 0.000 0.7949 0.9371 1 1134 1252 14.016 0.000 0.9801 0.8950 1 1134 1263 -87.032 0.000 0.8771 0.6765 1 1134 1289 16.031 0.000 0.9417 0.9483 1 1134 1371 12.036 0.000 0.9391 0.6966 1 1134 1407 -15.958 0.000 0.7280 0.7152 1 1134 1473 26.052 0.000 0.9358 0.7665 1 1134 1485 -0.959 0.000 0.7610 0.4883 1 1134 1521 -213.148 0.000 0.7055 0.4916 1 1135 1175 31.972 0.000 0.8134 0.6311 1 1135 1181 -32.023 0.000 0.8051 0.6573 1 1135 1342 60.003 0.000 0.7831 0.6115 1 1135 1345 59.000 0.000 0.7421 0.5902 1 1135 1355 29.993 0.000 0.7478 0.5614 1 1135 1378 1.998 0.000 0.7717 0.5398 1 1135 1388 44.009 0.000 0.7181 0.5834 1 1135 1426 2.982 0.000 0.7432 0.4922 1 1135 1487 16.998 0.000 0.7091 0.4794 1 1136 1168 0.000 0.000 0.9395 0.7432 1 1138 1234 -15.995 0.000 0.7843 0.7057 1 1144 1150 -17.956 0.000 0.8092 0.6862 1 1145 1201 -15.995 0.000 0.8751 0.7124 1 1145 1320 0.984 0.000 0.7705 0.7080 1 1145 1369 0.984 0.000 0.7348 0.4857 1 1145 1377 0.984 0.000 0.7564 0.5986 1 1145 1409 42.011 0.000 0.7245 0.6250 1 1145 1415 40.015 0.000 0.7212 0.7788 1 1145 1549 42.011 0.000 0.7213 0.4851 1 1155 1264 14.016 0.000 0.7717 0.6967 1 1155 1473 83.073 0.000 0.8801 0.6947 1 1157 1159 -85.053 0.000 0.7621 0.5527 1 1157 1165 12.073 0.000 0.7894 0.6941 1 1157 1205 -49.979 0.000 0.7026 0.8586 1 1157 1252 14.016 0.000 0.9986 1.0000 1 1157 1263 -87.032 0.000 0.8965 0.7210 1 1157 1289 16.031 0.000 0.9281 0.8586 1 1157 1362 42.047 0.000 0.8315 0.7101 1 1157 1371 12.036 0.000 0.9034 0.6966 1 1157 1389 56.063 0.000 0.7354 0.7101 1 1157 1457 -14.974 0.000 0.7472 0.7263 1 1157 1473 26.052 0.000 0.8872 0.7665 1 1157 1485 -0.959 0.000 0.7326 0.5386 1 1159 1252 99.068 0.000 0.7807 0.5698 1 1159 1263 -1.979 0.000 0.8537 0.8174 1 1159 1264 42.047 0.000 0.7592 0.6795 1 1165 1174 -0.984 0.000 0.8657 0.8246 1 1165 1252 1.943 0.000 0.7622 0.6441 1 1165 1263 -99.105 0.000 0.7895 0.6784 1 1165 1289 3.959 0.000 0.7719 0.5670 1 1165 1371 -0.037 0.000 0.7241 0.6717 1 1174 1234 14.016 0.000 0.9434 0.7609 1 1174 1371 0.947 0.000 0.7342 0.6411 1 1175 1181 -63.995 0.000 0.9496 0.8734 1 1175 1208 -1.004 0.000 0.7322 0.7433 1 1175 1209 0.000 0.000 0.7524 0.7567 1 1175 1256 2.016 0.000 0.8261 0.5276 1 1175 1272 99.068 0.000 0.7146 0.5099 1 1175 1342 28.031 0.000 0.9522 0.8826 1 1175 1345 27.028 0.000 0.7783 0.6077 1 1175 1355 -1.979 0.000 0.8749 0.8138 1 1175 1356 -2.983 0.000 0.8343 0.7333 1 1175 1367 42.047 0.000 0.7847 0.7367 1 1175 1378 -29.974 0.000 0.9269 0.7922 1 1175 1388 12.036 0.000 0.7922 0.7722 1 1175 1426 -28.990 0.000 0.8426 0.7282 1 1175 1437 -227.138 0.000 0.7127 0.5153 1 1175 1466 11.174 0.000 0.7395 0.6981 1 1175 1487 -14.974 0.000 0.8510 0.7323 1 1181 1209 63.995 0.000 0.8160 0.8143 1 1181 1256 66.010 0.000 0.8412 0.5717 1 1181 1342 92.026 0.000 0.9035 0.8241 1 1181 1345 91.023 0.000 0.7784 0.6209 1 1181 1355 62.015 0.000 0.8362 0.6937 1 1181 1356 61.012 0.000 0.7774 0.6324 1 1181 1367 106.041 0.000 0.7559 0.6816 1 1181 1378 34.021 0.000 0.9159 0.7697 1 1181 1388 76.031 0.000 0.8326 0.7951 1 1181 1426 35.005 0.000 0.8375 0.6959 1 1181 1466 75.169 0.000 0.7157 0.6619 1 1181 1487 49.020 0.000 0.8182 0.6375 1 1187 1192 -1.003 0.000 0.9855 0.9075 1 1192 1216 -70.034 0.000 0.9282 0.8090 1 1192 1266 -56.018 0.000 0.9546 0.8329 1 1195 1205 -63.995 0.000 0.9862 0.8878 1 1195 1264 -57.022 0.000 0.7501 0.6467 1 1195 1289 2.016 0.000 0.7184 0.8250 1 1195 1354 28.031 0.000 0.9779 0.8434 1 1195 1362 28.031 0.000 0.8317 0.8824 1 1195 1365 -1.979 0.000 0.9713 0.8765 1 1195 1371 -1.980 0.000 0.8116 0.7416 1 1195 1389 42.047 0.000 0.9350 0.8991 1 1195 1407 -29.974 0.000 0.9618 0.7779 1 1195 1457 -28.990 0.000 0.9518 0.7915 1 1195 1473 12.036 0.000 0.8612 0.8119 1 1195 1485 -14.975 0.000 0.7208 0.5620 1 1195 1521 -227.164 0.000 0.7305 0.5927 1 1201 1320 16.979 0.000 0.8161 0.6996 1 1201 1369 16.979 0.000 0.8222 0.6170 1 1201 1377 16.979 0.000 0.8103 0.6543 1 1201 1409 58.005 0.000 0.7122 0.6631 1 1201 1549 58.005 0.000 0.7114 0.5859 1 1205 1252 63.995 0.000 0.7151 0.8575 1 1205 1289 66.011 0.000 0.7533 0.9371 1 1205 1354 92.026 0.000 0.9839 0.9274 1 1205 1362 92.026 0.000 0.8254 0.8394 1 1205 1365 62.015 0.000 0.9681 0.8541 1 1205 1371 62.015 0.000 0.8179 0.6896 1 1205 1389 106.042 0.000 0.9241 0.8143 1 1205 1407 34.021 0.000 0.9522 0.7034 1 1205 1457 35.005 0.000 0.9470 0.7374 1 1205 1473 76.031 0.000 0.8696 0.7721 1 1205 1485 49.020 0.000 0.7215 0.5060 1 1205 1521 -163.169 0.000 0.7079 0.4916 1 1206 1207 1.003 0.000 0.9880 0.9325 1 1206 1246 14.041 0.000 0.9401 0.8371 1 1206 1374 -86.976 0.000 0.8083 0.6360 1 1207 1242 14.041 0.000 0.9365 0.8333 1 1207 1272 14.041 0.000 0.9177 0.7796 1 1207 1407 -86.995 0.000 0.7283 0.5576 1 1207 1473 -44.985 0.000 0.7131 0.5795 1 1208 1209 1.004 0.000 0.9784 0.9437 1 1208 1256 3.019 0.000 0.7010 0.4294 1 1208 1345 28.031 0.000 0.7829 0.7807 1 1208 1356 -1.979 0.000 0.8335 0.7558 1 1208 1388 13.040 0.000 0.8261 0.8235 1 1208 1466 12.178 0.000 0.8602 0.7994 1 1209 1252 28.006 0.000 0.7447 0.4640 1 1209 1256 2.016 0.000 0.8963 0.5935 1 1209 1342 28.031 0.000 0.7653 0.7326 1 1209 1345 27.028 0.000 0.7473 0.7569 1 1209 1355 -1.979 0.000 0.8335 0.7645 1 1209 1356 -2.983 0.000 0.7108 0.6689 1 1209 1367 42.047 0.000 0.7921 0.7824 1 1209 1378 -29.974 0.000 0.7503 0.7318 1 1209 1388 12.036 0.000 0.8896 0.8169 1 1209 1466 11.174 0.000 0.8072 0.7761 1 1209 1487 -14.974 0.000 0.7319 0.7528 1 1216 1258 -30.011 0.000 0.9706 0.8671 1 1216 1266 14.016 0.000 0.9800 0.8570 1 1229 1374 -18.010 0.000 0.7850 0.5900 1 1242 1246 -1.003 0.000 0.9831 0.9322 1 1242 1272 0.000 0.000 0.9896 0.9643 1 1242 1298 0.000 0.000 0.9798 0.8127 1 1246 1272 1.003 0.000 0.9899 0.9657 1 1246 1298 1.003 0.000 0.9668 0.7778 1 1252 1263 -101.048 0.000 0.8859 0.7210 1 1252 1264 -57.022 0.000 0.8251 0.6634 1 1252 1289 2.016 0.000 0.9181 0.8575 1 1252 1362 28.031 0.000 0.8539 0.7315 1 1252 1371 -1.980 0.000 0.9093 0.6966 1 1252 1457 -28.990 0.000 0.7547 0.7263 1 1252 1473 12.036 0.000 0.8977 0.7665 1 1252 1485 -14.975 0.000 0.7426 0.5386 1 1252 1521 -227.164 0.000 0.7010 0.5141 1 1256 1342 26.015 0.000 0.8414 0.5929 1 1256 1345 25.012 0.000 0.8053 0.5635 1 1256 1355 -3.995 0.000 0.8238 0.5219 1 1256 1356 -4.999 0.000 0.8027 0.5015 1 1256 1367 40.031 0.000 0.7588 0.6124 1 1256 1378 -31.990 0.000 0.8153 0.4955 1 1256 1388 10.021 0.000 0.8264 0.5772 1 1256 1426 -31.006 0.000 0.7828 0.4683 1 1256 1466 9.159 0.000 0.7282 0.4933 1 1256 1487 -16.990 0.000 0.7902 0.4877 1 1258 1266 44.026 0.000 0.9611 0.8289 1 1263 1289 103.063 0.000 0.8799 0.6440 1 1263 1371 99.068 0.000 0.8063 0.7031 1 1263 1473 113.084 0.000 0.7699 0.6765 1 1264 1362 85.053 0.000 0.7425 0.5638 1 1264 1389 99.069 0.000 0.7449 0.5706 1 1264 1457 28.032 0.000 0.7044 0.5956 1 1264 1473 69.058 0.000 0.7215 0.6589 1 1272 1298 0.000 0.000 0.9632 0.7740 1 1272 1342 -71.037 0.000 0.7130 0.5394 1 1276 1281 1.003 0.000 0.9875 0.8904 1 1289 1362 26.015 0.000 0.7377 0.7291 1 1289 1371 -3.995 0.000 0.8857 0.7058 1 1289 1389 40.031 0.000 0.7053 0.7291 1 1289 1457 -31.006 0.000 0.7894 0.7415 1 1289 1473 10.021 0.000 0.8686 0.7867 1 1289 1485 -16.990 0.000 0.7261 0.5720 1 1317 1320 1.004 0.000 0.9677 0.9304 1 1317 1321 -0.992 0.000 0.8136 0.7408 1 1317 1369 1.004 0.000 0.9543 0.7392 1 1317 1377 1.004 0.000 0.9595 0.8279 1 1320 1321 -1.996 0.000 0.8110 0.8082 1 1320 1369 0.000 0.000 0.9692 0.7516 1 1320 1377 0.000 0.000 0.9888 0.8920 1 1321 1352 -0.026 0.000 0.7826 0.6651 1 1321 1369 1.996 0.000 0.8024 0.6612 1 1321 1377 1.996 0.000 0.8078 0.7390 1 1324 1348 -0.000 0.000 0.9405 0.8615 1 1342 1345 -1.003 0.000 0.9398 0.8577 1 1342 1355 -30.011 0.000 0.8320 0.6885 1 1342 1356 -31.014 0.000 0.7702 0.6186 1 1342 1367 14.016 0.000 0.8769 0.8102 1 1342 1378 -58.005 0.000 0.9209 0.7603 1 1342 1388 -15.995 0.000 0.8436 0.7597 1 1342 1426 -57.021 0.000 0.8710 0.7510 1 1342 1437 -255.169 0.000 0.7082 0.5058 1 1342 1466 -16.857 0.000 0.7316 0.6571 1 1342 1487 -43.006 0.000 0.8989 0.7907 1 1345 1355 -29.007 0.000 0.7635 0.5826 1 1345 1356 -30.011 0.000 0.8240 0.6416 1 1345 1367 15.019 0.000 0.7540 0.7020 1 1345 1378 -57.002 0.000 0.7982 0.6022 1 1345 1388 -14.991 0.000 0.7666 0.6450 1 1345 1426 -56.018 0.000 0.7209 0.5180 1 1345 1466 -15.853 0.000 0.8047 0.6902 1 1345 1487 -42.002 0.000 0.7577 0.6054 1 1352 1353 -1.040 0.000 0.8045 0.8718 1 1354 1362 -0.000 0.000 0.8016 0.8394 1 1354 1365 -30.011 0.000 0.9748 0.8541 1 1354 1371 -30.011 0.000 0.7480 0.5922 1 1354 1389 14.016 0.000 0.9213 0.8143 1 1354 1407 -58.005 0.000 0.9635 0.7034 1 1354 1457 -57.021 0.000 0.9442 0.7374 1 1354 1473 -15.995 0.000 0.8138 0.6889 1 1355 1356 -1.004 0.000 0.9604 0.9162 1 1355 1367 44.026 0.000 0.8089 0.6677 1 1355 1378 -27.995 0.000 0.8009 0.6444 1 1355 1388 14.016 0.000 0.8802 0.7956 1 1355 1426 -27.010 0.000 0.7581 0.6365 1 1355 1437 -225.158 0.000 0.7029 0.5811 1 1355 1466 13.154 0.000 0.7645 0.6865 1 1355 1487 -12.995 0.000 0.7808 0.6596 1 1356 1367 45.030 0.000 0.7604 0.6126 1 1356 1378 -26.991 0.000 0.7713 0.6232 1 1356 1388 15.020 0.000 0.7830 0.6961 1 1356 1426 -26.007 0.000 0.7792 0.6546 1 1356 1466 14.158 0.000 0.8731 0.8190 1 1356 1487 -11.991 0.000 0.7199 0.5771 1 1362 1365 -30.010 0.000 0.8165 0.8824 1 1362 1371 -30.011 0.000 0.9071 0.7183 1 1362 1389 14.016 0.000 0.9410 0.9448 1 1362 1407 -58.005 0.000 0.8073 0.7733 1 1362 1457 -57.021 0.000 0.8511 0.7829 1 1362 1473 -15.995 0.000 0.9447 0.8028 1 1362 1485 -43.006 0.000 0.8223 0.6326 1 1362 1521 -255.195 0.000 0.7668 0.5395 1 1365 1371 -0.000 0.000 0.7632 0.6284 1 1365 1374 -28.979 0.000 0.7579 0.6933 1 1365 1389 44.026 0.000 0.9214 0.8583 1 1365 1407 -27.995 0.000 0.9563 0.7487 1 1365 1457 -27.011 0.000 0.9618 0.8203 1 1365 1473 14.016 0.000 0.8282 0.7322 1 1365 1485 -12.995 0.000 0.7042 0.5153 1 1365 1521 -225.184 0.000 0.7054 0.5072 1 1367 1378 -72.021 0.000 0.7853 0.6474 1 1367 1388 -30.010 0.000 0.8576 0.7407 1 1367 1426 -71.037 0.000 0.7074 0.5601 1 1367 1487 -57.021 0.000 0.7541 0.6419 1 1369 1377 0.000 0.000 0.9756 0.8320 1 1370 1457 350.196 0.000 0.7060 0.5518 1 1371 1389 44.027 0.000 0.8719 0.7011 1 1371 1407 -27.994 0.000 0.7887 0.7692 1 1371 1457 -27.010 0.000 0.8410 0.7117 1 1371 1473 14.016 0.000 0.9633 0.8546 1 1371 1485 -12.995 0.000 0.8098 0.6391 1 1371 1521 -225.184 0.000 0.7253 0.5275 1 1374 1376 -1.003 0.000 0.9809 0.8962 1 1374 1407 0.984 0.000 0.8382 0.6697 1 1377 1522 -15.995 0.000 0.7010 0.6139 1 1378 1388 42.011 0.000 0.7805 0.6469 1 1378 1426 0.984 0.000 0.8697 0.7802 1 1378 1466 41.148 0.000 0.7084 0.6118 1 1378 1487 15.000 0.000 0.8532 0.7246 1 1388 1426 -41.026 0.000 0.7586 0.5957 1 1388 1466 -0.862 0.000 0.9462 0.8880 1 1388 1487 -27.011 0.000 0.7348 0.5921 1 1389 1407 -72.021 0.000 0.9322 0.8024 1 1389 1457 -71.037 0.000 0.9325 0.8155 1 1389 1473 -30.011 0.000 0.9315 0.8028 1 1389 1485 -57.022 0.000 0.8093 0.5997 1 1407 1457 0.984 0.000 0.9693 0.8807 1 1407 1473 42.010 0.000 0.8395 0.8200 1 1407 1485 14.999 0.000 0.7082 0.5864 1 1409 1415 -1.996 0.000 0.8308 0.7249 1 1409 1522 -57.022 0.000 0.7360 0.7566 1 1409 1549 0.000 0.000 0.9707 0.7518 1 1415 1549 1.996 0.000 0.7895 0.4986 1 1426 1437 -198.148 0.000 0.7366 0.5616 1 1426 1466 40.164 0.000 0.7180 0.5879 1 1426 1487 14.016 0.000 0.8909 0.7964 1 1437 1487 212.163 0.000 0.7288 0.5678 1 1457 1473 41.026 0.000 0.8735 0.7727 1 1457 1485 14.015 0.000 0.7629 0.5726 1 1457 1521 -198.174 0.000 0.7422 0.5631 1 1473 1485 -27.011 0.000 0.8492 0.6531 1 1473 1521 -239.200 0.000 0.7544 0.5286 1 1492 1509 0.000 0.000 0.8998 0.6483 1 1499 1510 0.000 0.000 0.9964 1.0000 1 1522 1524 -129.043 0.000 0.7726 0.5974 1 nf_output/AASDB.mgf.tsv0000644000000000000000000000000114777454540013727 0ustar rootroot nf_output/BMDMS-NP.mgf.tsv0000644000000000000000000000000114777454540014272 0ustar rootroot nf_output/CMMC-FOOD-BIOMARKERS.mgf.tsv0000644000000000000000000000000114777454540016015 0ustar rootroot nf_output/LDB_NEGATIVE.mgf.tsv0000644000000000000000000000000114777454540015000 0ustar rootroot nf_output/DRUGS-OF-ABUSE-LIBRARY.mgf.tsv0000644000000000000000000000000114777454540016242 0ustar rootroot nf_output/MCE-DRUG.mgf.tsv0000644000000000000000000000000114777454540014260 0ustar rootroot nf_output/BERKELEY-LAB.mgf.tsv0000644000000000000000000000000114777454540014713 0ustar rootroot nf_output/library_intermediate/0000755000000000000000000000000014777455207016017 5ustar rootrootnf_output/library_intermediate/merged_results.tsv0000644000000000000000000007165514777455207021617 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 1409 spectra_filtered.mgf *..* :20 721 -1 0 241.031 1 0.995657 0 0 5884330.0 314980000.0 CYSTINE M+H GNPS-MSMLS temp/spectra_filtered.mgf1409 -1 GNPS-MSMLS.mgf 0.443144 10 0 0.000106812 241.031 0 CCMSLIB00005464472 372 spectra_filtered.mgf *..* :1880 10175 -1 0 166.086 1 0.994848 0 0 9518500.0 10437000.0 Phenylalanine - 40.00 eV M+H GNPS-LIBRARY temp/spectra_filtered.mgf372 -1 GNPS-LIBRARY.mgf 6041.46 6 0 1.0034 167.089 0 CCMSLIB00005885033 378 spectra_filtered.mgf *..* :9865 9865 -1 0 205.0 1 0.994018 0 0 58861400.0 1815000.0 Massbank:KO004073 Trp|Tryptophan|L-Tryptophan|(S)-alpha-Amino-beta-(3-indolyl)-propionic acid [M+H]+ MASSBANK temp/spectra_filtered.mgf378 -1 MASSBANK.mgf 473.171 6 0 0.0970001 205.097 0 CCMSLIB00000220666 1207 spectra_filtered.mgf *..* :1232 50473 -1 0 189.16 1 0.993951 0 0 242.7 5217000.0 NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE M+H MONA temp/spectra_filtered.mgf1207 -1 MONA.mgf 2.09732 7 0 0.000396729 189.16 0 CCMSLIB00006679502 240 spectra_filtered.mgf *..* :1509 50750 -1 0 268.104 1 0.993828 0 0 106.5 32202000.0 ADENOSINE M+H MONA temp/spectra_filtered.mgf240 -1 MONA.mgf 0.341482 7 0 9.15527e-05 268.104 0 CCMSLIB00006679779 982 spectra_filtered.mgf *..* :1 27 -1 0 247.128 1 0.993752 0 0 1.54 1435000.0 Val-Glu M+H WINE-DB-ORBITRAP temp/spectra_filtered.mgf982 -1 WINE-DB-ORBITRAP.mgf 2.40803 7 0 0.000595093 247.129 0 CCMSLIB00013639057 1187 spectra_filtered.mgf *..* :1008 9303 -1 0 156.077 1 0.993497 0 0 1600070.0 16736000.0 L-HISTIDINE - 20.0 eV M+H GNPS-LIBRARY temp/spectra_filtered.mgf1187 -1 GNPS-LIBRARY.mgf 1.85753 6 0 0.000289917 156.077 0 CCMSLIB00005884161 166 spectra_filtered.mgf *..* :410 113 -1 0 298.1 1 0.993385 0 0 89495200.0 8581000.0 5'-METHYLTHIOADENOSINE M+H GNPS-EMBL-MCF temp/spectra_filtered.mgf166 -1 GNPS-EMBL-MCF.mgf 11.773 8 0 0.00350952 298.096 0 CCMSLIB00000577895 1192 spectra_filtered.mgf *..* :12753 24752 -1 0 156.077 1 0.992854 0 0 59670.0 9249000.0 Massbank:RP002001 L-Histidine|(2S)-2-azaniumyl-3-(1H-imidazol-5-yl)propanoate M+H MASSBANK temp/spectra_filtered.mgf1192 -1 MASSBANK.mgf 6425.67 6 0 1.0029 157.08 0 CCMSLIB00005738304 414 spectra_filtered.mgf *..* :1880 10175 -1 0 166.086 1 0.991927 0 0 9518500.0 6649000.0 Phenylalanine - 40.00 eV M+H GNPS-LIBRARY temp/spectra_filtered.mgf414 -1 GNPS-LIBRARY.mgf 6041.46 6 0 1.0034 167.089 0 CCMSLIB00005885033 465 spectra_filtered.mgf *..* :7906 7906 -1 0 132.102 1 0.991859 0 0 106.023 127610000.0 D-LEUCINE M+H MCE-DRUG temp/spectra_filtered.mgf465 -1 MCE-DRUG.mgf 7593.36 6 0 1.0031 133.105 0 CCMSLIB00010137630 238 spectra_filtered.mgf *..* :13101 25100 -1 0 268.104 1 0.990043 0 0 105026.0 18312000.0 Massbank:RP010902 Adenosine|(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol M+H MASSBANK temp/spectra_filtered.mgf238 -1 MASSBANK.mgf 3742.99 7 0 1.00351 269.108 0 CCMSLIB00005738652 1150 spectra_filtered.mgf *..* :38 692 -1 0 308.091 1 0.990036 0 0 2982180.0 1574000.0 GLUTATHIONE REDUCED M+H GNPS-MSMLS temp/spectra_filtered.mgf1150 -1 GNPS-MSMLS.mgf 0.297161 14 0 9.15527e-05 308.091 0 CCMSLIB00005464443 1003 spectra_filtered.mgf *..* :971 50212 -1 0 258.11 1 0.989944 0 0 130.4 82930000.0 SN-GLYCERO-3-PHOSPHOCHOLINE M+H MONA temp/spectra_filtered.mgf1003 -1 MONA.mgf 0.354704 7 0 9.15527e-05 258.11 0 CCMSLIB00006679241 698 spectra_filtered.mgf *..* :697 8992 -1 0 118.086 1 0.988584 0 0 604419.0 7460000.0 L-VALINE - 20.0 eV M+H GNPS-LIBRARY temp/spectra_filtered.mgf698 -1 GNPS-LIBRARY.mgf 1.67983 6 0 0.000198364 118.086 0 CCMSLIB00005883850 1121 spectra_filtered.mgf *..* :33659 33659 -1 0 203.15 1 0.985699 0 0 179.652 2533000.0 N,N-dimethylarginine [M+H]+ MSNLIB-POSITIVE temp/spectra_filtered.mgf1121 -1 MSNLIB-POSITIVE.mgf 1.05155 9 0 0.000213623 203.15 0 CCMSLIB00012335088 1144 spectra_filtered.mgf *..* :26 569 -1 0 290.135 1 0.985371 0 0 8559870.0 1317000.0 OPHTHALMATE M+H GNPS-MSMLS temp/spectra_filtered.mgf1144 -1 GNPS-MSMLS.mgf 1.78813 11 0 0.000518799 290.134 0 CCMSLIB00005464320 1206 spectra_filtered.mgf *..* :1232 50473 -1 0 189.16 1 0.984754 0 0 242.7 3050000.0 NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE M+H MONA temp/spectra_filtered.mgf1206 -1 MONA.mgf 5301.29 7 0 1.00279 190.163 0 CCMSLIB00006679502 845 spectra_filtered.mgf *..* :478 924 -1 0 241.031 1 0.982056 0 0 313258.0 578000.0 L-cystine CollisionEnergy:102040 M+H BERKELEY-LAB temp/spectra_filtered.mgf845 -1 BERKELEY-LAB.mgf 0.0 7 0 0.0 241.031 0 CCMSLIB00010102912 390 spectra_filtered.mgf *..* :1 72 -1 0 166.1 1 0.981588 0 0 29857300.0 26328000.0 Phenylalanine M+H GNPS-EMBL-MCF temp/spectra_filtered.mgf390 -1 GNPS-EMBL-MCF.mgf 83.6891 6 0 0.0139008 166.086 0 CCMSLIB00000479728 1549 spectra_filtered.mgf *..* :20 721 -1 0 241.031 1 0.978582 0 0 5884330.0 464000.0 CYSTINE M+H GNPS-MSMLS temp/spectra_filtered.mgf1549 -1 GNPS-MSMLS.mgf 0.443144 7 0 0.000106812 241.031 0 CCMSLIB00005464472 999 spectra_filtered.mgf *..* :20879 20879 -1 0 258.11 1 0.970682 0 0 146.323 48856000.0 Choline Alfoscerate M+H MCE-DRUG temp/spectra_filtered.mgf999 -1 MCE-DRUG.mgf 3887.2 7 0 1.00333 259.113 0 CCMSLIB00010150603 1019 spectra_filtered.mgf *..* :10347 10347 -1 0 348.07 1 0.969252 0 0 120.067 690000.0 AMP portion of methylmalonyl-CoA? and as listed by MoNA:3472824 Methylmalonyl-Coenzyme A M+H MONA temp/spectra_filtered.mgf1019 -1 MONA.mgf 0.876765 7 0 0.000305176 348.07 0 CCMSLIB00000573096 278 spectra_filtered.mgf *..* :186 2911 -1 0 235.115 1 0.966963 0 0 2418390.0 1836000.0 Spectral Match to His-Pro from NIST14 M+H-H2O GNPS-NIST14-MATCHES temp/spectra_filtered.mgf278 -1 GNPS-NIST14-MATCHES.mgf 16.1599 9 0 0.00379944 235.119 0 CCMSLIB00003137398 640 spectra_filtered.mgf *..* :230 3103 -1 0 217.155 1 0.966193 0 0 26121700.0 5894000.0 Spectral Match to Val-Val from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf640 -1 GNPS-NIST14-MATCHES.mgf 2.3188 6 0 0.00050354 217.154 0 CCMSLIB00003137590 114 spectra_filtered.mgf *..* :1 464 -1 0 197.129 1 0.965279 0 0 105856.0 430000.0 cyclo(L-Val-L-Pro) M+H GNPS-LIBRARY temp/spectra_filtered.mgf114 -1 GNPS-LIBRARY.mgf 3.56063 8 0 0.000701904 197.128 0 CCMSLIB00000007145 922 spectra_filtered.mgf *..* :375 3413 -1 0 263.142 1 0.961442 0 0 1654550.0 1141000.0 Spectral Match to Ile-Met from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf922 -1 GNPS-NIST14-MATCHES.mgf 7591.3 6 0 1.99759 261.144 0 CCMSLIB00003137900 305 spectra_filtered.mgf *..* :3520 3520 -1 0 235.119 1 0.960925 0 0 43.829 1635000.0 Cyclo(-His-Pro) M+H MCE-DRUG temp/spectra_filtered.mgf305 -1 MCE-DRUG.mgf 1.29796 8 0 0.000305176 235.119 0 CCMSLIB00010133244 1354 spectra_filtered.mgf *..* :8092 8092 -1 0 218.0 1 0.959477 0 0 71430800.0 795000.0 Massbank:KO002290 b-Ala-Lys|beta-Alanyl-L-lysine|beta-Ala-Lys [M+H]+ MASSBANK temp/spectra_filtered.mgf1354 -1 MASSBANK.mgf 687.135 6 0 0.149796 218.15 0 CCMSLIB00000217068 380 spectra_filtered.mgf *..* :620 2573 -1 0 188.07 1 0.95531 0 0 4792390.0 6809000.0 Spectral Match to L-Tryptophan from NIST14 M+H-NH3 GNPS-NIST14-MATCHES temp/spectra_filtered.mgf380 -1 GNPS-NIST14-MATCHES.mgf 2.10947 6 0 0.000396729 188.07 0 CCMSLIB00003137060 130 spectra_filtered.mgf *..* :2 465 -1 0 197.129 1 0.954501 0 0 561376.0 423000.0 cyclo(L-Val-L-Pro) M+H GNPS-LIBRARY temp/spectra_filtered.mgf130 -1 GNPS-LIBRARY.mgf 3.56063 8 0 0.000701904 197.128 0 CCMSLIB00000007146 1298 spectra_filtered.mgf *..* :10381 10381 -1 0 175.12 1 0.953598 0 0 32093.6 681000.0 Massbank:PB000419 Arginine|2-amino-5-(diaminomethylideneamino)pentanoic acid [M+H]+ MASSBANK temp/spectra_filtered.mgf1298 -1 MASSBANK.mgf 6.7964 6 0 0.00119019 175.119 0 CCMSLIB00000221713 1242 spectra_filtered.mgf *..* :10381 10381 -1 0 175.12 1 0.947687 0 0 32093.6 33562000.0 Massbank:PB000419 Arginine|2-amino-5-(diaminomethylideneamino)pentanoic acid [M+H]+ MASSBANK temp/spectra_filtered.mgf1242 -1 MASSBANK.mgf 6.7964 6 0 0.00119019 175.119 0 CCMSLIB00000221713 879 spectra_filtered.mgf *..* :483 366 -1 0 269.16 1 0.946948 0 0 1659290.0 6957000.0 Spectral Match to His-Ile from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf879 -1 GNPS-NIST14-MATCHES.mgf 2.26762 12 0 0.000610352 269.161 0 CCMSLIB00003134852 1133 spectra_filtered.mgf *..* :8072 8072 -1 0 188.0 1 0.945941 0 0 365634000.0 173000.0 Massbank:KO002270 N8-Acetylspermidine [M+H]+ MASSBANK temp/spectra_filtered.mgf1133 -1 MASSBANK.mgf 934.033 6 0 0.175598 188.176 0 CCMSLIB00000217027 14 spectra_filtered.mgf *..* :11368 29831 -1 0 228.071 1 0.945192 0 0 410.035 784000.0 MUCIC ACID [M+NH4]+ MONA temp/spectra_filtered.mgf14 -1 MONA.mgf 544.997 9 0 0.124298 228.195 0 CCMSLIB00004702431 113 spectra_filtered.mgf *..* :5 455 -1 0 245.128 1 0.943872 0 0 49071.1 355000.0 cyclo(L-Phe-D-Pro) M+H GNPS-LIBRARY temp/spectra_filtered.mgf113 -1 GNPS-LIBRARY.mgf 0.809227 6 0 0.000198364 245.128 0 CCMSLIB00000007136 460 spectra_filtered.mgf *..* :388 647 -1 0 231.17 1 0.94149 0 0 4100950.0 1635000.0 Spectral Match to Leu-Val from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf460 -1 GNPS-NIST14-MATCHES.mgf 0.0 7 0 0.0 231.17 0 CCMSLIB00003135133 1272 spectra_filtered.mgf *..* :10381 10381 -1 0 175.12 1 0.940977 0 0 32093.6 2571000.0 Massbank:PB000419 Arginine|2-amino-5-(diaminomethylideneamino)pentanoic acid [M+H]+ MASSBANK temp/spectra_filtered.mgf1272 -1 MASSBANK.mgf 6.7964 6 0 0.00119019 175.119 0 CCMSLIB00000221713 107 spectra_filtered.mgf *..* :5 455 -1 0 245.128 1 0.940913 0 0 49071.1 371000.0 cyclo(L-Phe-D-Pro) M+H GNPS-LIBRARY temp/spectra_filtered.mgf107 -1 GNPS-LIBRARY.mgf 0.373489 6 0 9.15527e-05 245.128 0 CCMSLIB00000007136 228 spectra_filtered.mgf *..* :1454 9749 -1 0 220.118 1 0.940431 0 0 2126690.0 2370000.0 D-PANTOTHENIC ACID - 40.0 eV M+H GNPS-LIBRARY temp/spectra_filtered.mgf228 -1 GNPS-LIBRARY.mgf 0.901172 11 0 0.000198364 220.118 0 CCMSLIB00005884607 1246 spectra_filtered.mgf *..* :10382 10382 -1 0 175.12 1 0.940396 0 0 17916.1 21744000.0 Massbank:PB000420 Arginine|2-amino-5-(diaminomethylideneamino)pentanoic acid [M+H]+ MASSBANK temp/spectra_filtered.mgf1246 -1 MASSBANK.mgf 5722.39 7 0 1.00211 176.122 0 CCMSLIB00000221715 98 spectra_filtered.mgf *..* :23931 35930 -1 0 211.144 1 0.939981 0 0 458.0 875000.0 Massbank:PR300811 Cyclo(proline-leucine) M+H MASSBANK temp/spectra_filtered.mgf98 -1 MASSBANK.mgf 4751.28 10 0 1.0032 212.147 0 CCMSLIB00005749482 111 spectra_filtered.mgf *..* :26687 46979 -1 0 232.144 1 0.93881 0 0 147.221 1509000.0 Harmaline [M+NH4]+ MONA temp/spectra_filtered.mgf111 -1 MONA.mgf 3847.17 6 0 0.893097 231.251 0 CCMSLIB00004719579 1111 spectra_filtered.mgf *..* :253 2211 -1 0 260.197 1 0.937353 0 0 7872000.0 8284000.0 Spectral Match to Lys-Leu from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf1111 -1 GNPS-NIST14-MATCHES.mgf 1.17286 9 0 0.000305176 260.197 0 CCMSLIB00003136698 1053 spectra_filtered.mgf *..* :253 2211 -1 0 260.197 1 0.937143 0 0 7872000.0 19244000.0 Spectral Match to Lys-Leu from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf1053 -1 GNPS-NIST14-MATCHES.mgf 1.17286 9 0 0.000305176 260.197 0 CCMSLIB00003136698 110 spectra_filtered.mgf *..* :26687 46979 -1 0 232.144 1 0.935103 0 0 147.221 2767000.0 Harmaline [M+NH4]+ MONA temp/spectra_filtered.mgf110 -1 MONA.mgf 8169.04 6 0 1.89639 230.248 0 CCMSLIB00004719579 1157 spectra_filtered.mgf *..* :92 3247 -1 0 260.197 1 0.933859 0 0 1188580.0 2533000.0 Spectral Match to Ile-Lys from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf1157 -1 GNPS-NIST14-MATCHES.mgf 1.17286 6 0 0.000305176 260.197 0 CCMSLIB00003137734 1407 spectra_filtered.mgf *..* :8784 8784 -1 0 277.0 1 0.933076 0 0 22282200.0 5478000.0 Massbank:KO002982 Glu-Glu [M+H]+ MASSBANK temp/spectra_filtered.mgf1407 -1 MASSBANK.mgf 3050.55 6 0 0.845001 276.155 0 CCMSLIB00000218474 353 spectra_filtered.mgf *..* :341 5139 -1 0 229.118 1 0.931392 0 0 7119130.0 606000.0 Spectral Match to PyroGlu-Val from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf353 -1 GNPS-NIST14-MATCHES.mgf 0.0 7 0 0.0 229.118 0 CCMSLIB00003139626 1128 spectra_filtered.mgf *..* :111 2243 -1 0 288.203 1 0.930395 0 0 746525.0 5814000.0 Spectral Match to Ile-Arg from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf1128 -1 GNPS-NIST14-MATCHES.mgf 0.317668 11 0 9.15527e-05 288.203 0 CCMSLIB00003136730 1054 spectra_filtered.mgf *..* :253 2211 -1 0 260.197 1 0.930384 0 0 7872000.0 11115000.0 Spectral Match to Lys-Leu from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf1054 -1 GNPS-NIST14-MATCHES.mgf 3855.21 11 0 1.00311 261.2 0 CCMSLIB00003136698 505 spectra_filtered.mgf *..* :2852 53976 -1 0 132.102 1 0.928482 0 0 191.8 20025000.0 ISOLEUCINE M+H MONA temp/spectra_filtered.mgf505 -1 MONA.mgf 7594.05 6 0 1.00319 133.105 0 CCMSLIB00006683005 924 spectra_filtered.mgf *..* :483 366 -1 0 269.16 1 0.928187 0 0 1659290.0 1351000.0 Spectral Match to His-Ile from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf924 -1 GNPS-NIST14-MATCHES.mgf 2.60776 8 0 0.000701904 269.161 0 CCMSLIB00003134852 1112 spectra_filtered.mgf *..* :253 2211 -1 0 260.197 1 0.923142 0 0 7872000.0 4548000.0 Spectral Match to Lys-Leu from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf1112 -1 GNPS-NIST14-MATCHES.mgf 3855.21 10 0 1.00311 261.2 0 CCMSLIB00003136698 586 spectra_filtered.mgf *..* :2428 53552 -1 0 150.058 1 0.91982 0 0 289.0 2264000.0 METHIONINE M+H MONA temp/spectra_filtered.mgf586 -1 MONA.mgf 0.711802 6 0 0.000106812 150.058 0 CCMSLIB00006682581 13 spectra_filtered.mgf *..* :10634 25 -1 0 338.341 1 0.91912 0 0 803472.0 1088000.0 Spectral Match to 13-Docosenamide, (Z)- from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf13 -1 GNPS-NIST14-MATCHES.mgf 0.0 9 0 0.0 338.341 0 CCMSLIB00003134511 1067 spectra_filtered.mgf *..* :1922 10217 -1 0 148.06 1 0.918371 0 0 1564740.0 23019000.0 Glutamate - 40.00 eV M+H GNPS-LIBRARY temp/spectra_filtered.mgf1067 -1 GNPS-LIBRARY.mgf 6778.34 6 0 1.0036 149.064 0 CCMSLIB00005885075 1216 spectra_filtered.mgf *..* :1097 1097 -1 0 226.118 1 0.917513 0 0 55905.0 3056000.0 Candidate Histidine-C4:0 (delta mass:70.0409) M+H GNPS-N-ACYL-LIPIDS-MASSQL temp/spectra_filtered.mgf1216 -1 GNPS-N-ACYL-LIPIDS-MASSQL.mgf 4403.44 6 0 0.995697 227.114 0 CCMSLIB00012716495 1071 spectra_filtered.mgf *..* :1922 10217 -1 0 148.06 1 0.914185 0 0 1564740.0 42220000.0 Glutamate - 40.00 eV M+H GNPS-LIBRARY temp/spectra_filtered.mgf1071 -1 GNPS-LIBRARY.mgf 2.06116 6 0 0.000305176 148.06 0 CCMSLIB00005885075 1029 spectra_filtered.mgf *..* :193 5579 -1 0 288.202 1 0.913608 0 0 5389980.0 6557000.0 Spectral Match to Arg-Ile from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf1029 -1 GNPS-NIST14-MATCHES.mgf 3.17669 12 0 0.000915527 288.203 0 CCMSLIB00003140066 1376 spectra_filtered.mgf *..* :6345 6343 -1 0 277.14 1 0.91063 0 0 1745.0 1722000.0 ReSpect:PT105020 L-saccharopine|epsilon-N-(L-glutar-2-yl)-L-lysine|N6-(L-1,3-dicarboxylpropyl)-L-lysine|(2S)-2-[[(5S)-5-amino-6-hydroxy-6-oxohexyl]amino]pentanedioic acid [M+H] RESPECT temp/spectra_filtered.mgf1376 -1 RESPECT.mgf 3616.87 6 0 1.00238 278.142 0 CCMSLIB00000221255 1127 spectra_filtered.mgf *..* :110 3616 -1 0 288.197 1 0.910443 0 0 1660050.0 3042000.0 Spectral Match to Ile-Arg from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf1127 -1 GNPS-NIST14-MATCHES.mgf 3503.2 11 0 1.00961 289.207 0 CCMSLIB00003138103 471 spectra_filtered.mgf *..* :388 647 -1 0 231.17 1 0.910355 0 0 4100950.0 2894000.0 Spectral Match to Leu-Val from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf471 -1 GNPS-NIST14-MATCHES.mgf 0.0 7 0 0.0 231.17 0 CCMSLIB00003135133 1079 spectra_filtered.mgf *..* :193 5579 -1 0 288.202 1 0.905079 0 0 5389980.0 11120000.0 Spectral Match to Arg-Ile from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf1079 -1 GNPS-NIST14-MATCHES.mgf 2.75313 12 0 0.000793457 288.203 0 CCMSLIB00003140066 229 spectra_filtered.mgf *..* :1454 9749 -1 0 220.118 1 0.903358 0 0 2126690.0 1313000.0 D-PANTOTHENIC ACID - 40.0 eV M+H GNPS-LIBRARY temp/spectra_filtered.mgf229 -1 GNPS-LIBRARY.mgf 4557.09 9 0 1.0031 221.121 0 CCMSLIB00005884607 1209 spectra_filtered.mgf *..* :542 234 -1 0 274.187 1 0.90238 0 0 895712.0 4816000.0 Spectral Match to Val-Arg from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf1209 -1 GNPS-NIST14-MATCHES.mgf 0.667812 11 0 0.000183105 274.187 0 CCMSLIB00003134720 1362 spectra_filtered.mgf *..* :8091 8091 -1 0 218.0 1 0.895637 0 0 74995100.0 4260000.0 Massbank:KO002289 b-Ala-Lys|beta-Alanyl-L-lysine|beta-Ala-Lys [M+H]+ MASSBANK temp/spectra_filtered.mgf1362 -1 MASSBANK.mgf 687.625 6 0 0.149902 218.15 0 CCMSLIB00000217066 904 spectra_filtered.mgf *..* :1268 1268 -1 0 217.13 1 0.89355 0 0 365.048 1438000.0 N-Acetyl-L-arginine M+H MCE-DRUG temp/spectra_filtered.mgf904 -1 MCE-DRUG.mgf 3.23265 8 0 0.000701904 217.129 0 CCMSLIB00010130992 1016 spectra_filtered.mgf *..* :784 4974 -1 0 322.187 1 0.892583 0 0 1384180.0 921000.0 Spectral Match to Arg-Phe from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf1016 -1 GNPS-NIST14-MATCHES.mgf 0.0 12 0 0.0 322.187 0 CCMSLIB00003139461 103 spectra_filtered.mgf *..* :13533 25532 -1 0 211.144 1 0.892528 0 0 3560.0 1845000.0 Massbank:PR311142 Cyclo(leucylprolyl) M+H MASSBANK temp/spectra_filtered.mgf103 -1 MASSBANK.mgf 0.433603 7 0 9.15527e-05 211.144 0 CCMSLIB00005739084 1195 spectra_filtered.mgf *..* :717 1364 -1 0 245.186 1 0.891276 0 0 100823000.0 1717000.0 Lys-C6:0 M+H ECG-ACYL-AMIDES-C4-C24-LIBRARY temp/spectra_filtered.mgf1195 -1 ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf 4058.12 6 0 0.994995 246.181 0 CCMSLIB00011434806 1208 spectra_filtered.mgf *..* :542 234 -1 0 274.187 1 0.889444 0 0 895712.0 2559000.0 Spectral Match to Val-Arg from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf1208 -1 GNPS-NIST14-MATCHES.mgf 3660.95 10 0 1.00378 275.191 0 CCMSLIB00003134720 1030 spectra_filtered.mgf *..* :193 5579 -1 0 288.202 1 0.887152 0 0 5389980.0 3505000.0 Spectral Match to Arg-Ile from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf1030 -1 GNPS-NIST14-MATCHES.mgf 3485.78 12 0 1.00461 289.207 0 CCMSLIB00003140066 695 spectra_filtered.mgf *..* :1 1117 -1 0 230.055 1 0.883025 0 0 23451.1 3330000.0 AmilorideHCl M+H GNPS-SELLECKCHEM-FDA-PART1 temp/spectra_filtered.mgf695 -1 GNPS-SELLECKCHEM-FDA-PART1.mgf 8300.59 6 0 1.90959 228.145 0 CCMSLIB00000005338 1023 spectra_filtered.mgf *..* :512 20 -1 0 254.15 1 0.880457 0 0 245365.0 2133000.0 His-C6:0 M+H ECG-ACYL-AMIDES-C4-C24-LIBRARY temp/spectra_filtered.mgf1023 -1 ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf 3915.05 7 0 0.99501 255.145 0 CCMSLIB00010010618 606 spectra_filtered.mgf *..* :967 50208 -1 0 153.077 1 0.87726 0 0 280.4 79500000.0 IS_METHIONINE-METHYL-D3 M+H MONA temp/spectra_filtered.mgf606 -1 MONA.mgf 0.0 6 0 0.0 153.077 0 CCMSLIB00006679237 691 spectra_filtered.mgf *..* :1 1117 -1 0 230.055 1 0.876173 0 0 23451.1 900000.0 AmilorideHCl M+H GNPS-SELLECKCHEM-FDA-PART1 temp/spectra_filtered.mgf691 -1 GNPS-SELLECKCHEM-FDA-PART1.mgf 8301.05 6 0 1.9097 228.145 0 CCMSLIB00000005338 1345 spectra_filtered.mgf *..* :288 1279 -1 0 245.161 1 0.87555 0 0 14458400.0 4333000.0 Arg-C4:0 M+H ECG-ACYL-AMIDES-C4-C24-LIBRARY temp/spectra_filtered.mgf1345 -1 ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf 8151.0 9 0 1.99831 247.159 0 CCMSLIB00011434721 1051 spectra_filtered.mgf *..* :690 5239 -1 0 269.162 1 0.865138 0 0 484735.0 2949000.0 Spectral Match to Leu-His from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf1051 -1 GNPS-NIST14-MATCHES.mgf 5.55562 7 0 0.00149536 269.16 0 CCMSLIB00003139726 1342 spectra_filtered.mgf *..* :288 1279 -1 0 245.161 1 0.863632 0 0 14458400.0 8064000.0 Arg-C4:0 M+H ECG-ACYL-AMIDES-C4-C24-LIBRARY temp/spectra_filtered.mgf1342 -1 ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf 4058.16 9 0 0.994904 246.156 0 CCMSLIB00011434721 1134 spectra_filtered.mgf *..* :202 1021 -1 0 260.197 1 0.862779 0 0 4819740.0 876000.0 Spectral Match to Lys-Ile from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf1134 -1 GNPS-NIST14-MATCHES.mgf 1.17286 6 0 0.000305176 260.197 0 CCMSLIB00003135507 5 spectra_filtered.mgf *..* :14963 33426 -1 0 665.317 1 0.858367 0 0 427.27 10832000.0 Sarmentoside B [M+H]+ MONA temp/spectra_filtered.mgf5 -1 MONA.mgf 2802.43 15 0 1.8645 663.453 0 CCMSLIB00004706026 84 spectra_filtered.mgf *..* :4426 4872 -1 0 227.164 1 0.856432 0 0 591245.0 2244000.0 2-heptylhexanedioic acid CollisionEnergy:102040 M+H-H2O BERKELEY-LAB temp/spectra_filtered.mgf84 -1 BERKELEY-LAB.mgf 4332.11 8 0 0.9841 226.18 0 CCMSLIB00010106860 1033 spectra_filtered.mgf *..* :110 1975 -1 0 229.13 1 0.853459 0 0 13552000.0 1385000.0 MGH2_methylglyoxal-derived hydroimidazolone 2 M+H GNPS-NUTRI-METAB-FEM-POS temp/spectra_filtered.mgf1033 -1 GNPS-NUTRI-METAB-FEM-POS.mgf 2.66378 6 0 0.000610352 229.129 0 CCMSLIB00006674927 1164 spectra_filtered.mgf *..* :46627 46627 -1 0 219.098 1 0.848699 0 0 293.114 1150000.0 5875-41-2 [M+H]+ MSNLIB-POSITIVE temp/spectra_filtered.mgf1164 -1 MSNLIB-POSITIVE.mgf 3.20361 6 0 0.000701904 219.097 0 CCMSLIB00012361157 1102 spectra_filtered.mgf *..* :197 7 -1 0 359.265 1 0.844317 0 0 6188340.0 1885000.0 Spectral Match to Leu-Val-Lys from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf1102 -1 GNPS-NIST14-MATCHES.mgf 2462.46 10 0 0.884674 360.15 0 CCMSLIB00003134493 1374 spectra_filtered.mgf *..* :260 255 -1 0 277.139 1 0.841451 0 0 1686340.0 3206000.0 Spectral Match to L-Saccharopine from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf1374 -1 GNPS-NIST14-MATCHES.mgf 0.0 8 0 0.0 277.139 0 CCMSLIB00003134741 1107 spectra_filtered.mgf *..* :197 7 -1 0 359.265 1 0.840939 0 0 6188340.0 1483000.0 Spectral Match to Leu-Val-Lys from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf1107 -1 GNPS-NIST14-MATCHES.mgf 0.339778 9 0 0.00012207 359.265 0 CCMSLIB00003134493 980 spectra_filtered.mgf *..* :793 1438 -1 0 287.208 1 0.830881 0 0 297761000.0 1401000.0 Arg-C7:0 M+H ECG-ACYL-AMIDES-C4-C24-LIBRARY temp/spectra_filtered.mgf980 -1 ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf 3681.35 10 0 1.05731 286.151 0 CCMSLIB00011434881 1355 spectra_filtered.mgf *..* :322 995 -1 0 274.187 1 0.830524 0 0 64035.4 5949000.0 Spectral Match to Val-Arg from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf1355 -1 GNPS-NIST14-MATCHES.mgf 7220.16 10 0 1.97968 276.167 0 CCMSLIB00003135481 1415 spectra_filtered.mgf *..* :20 721 -1 0 241.031 1 0.826619 0 0 5884330.0 37255000.0 CYSTINE M+H GNPS-MSMLS temp/spectra_filtered.mgf1415 -1 GNPS-MSMLS.mgf 8280.21 7 0 1.99579 243.027 0 CCMSLIB00005464472 127 spectra_filtered.mgf *..* :90462 190900 -1 0 169.097 1 0.825506 0 0 255.154 138000.0 1,5-diethyl-1H-pyrazole-4-carboxylic acid [M+H]+ MSNLIB-POSITIVE temp/spectra_filtered.mgf127 -1 MSNLIB-POSITIVE.mgf 6033.78 6 0 1.02029 170.117 0 CCMSLIB00012991969 686 spectra_filtered.mgf *..* :20609 20609 -1 0 321.102 1 0.824539 0 0 108.505 1478000.0 Eniporide [M+H]+ MSNLIB-POSITIVE temp/spectra_filtered.mgf686 -1 MSNLIB-POSITIVE.mgf 2898.15 6 0 0.930603 320.171 0 CCMSLIB00012307769 348 spectra_filtered.mgf *..* :5700 5700 -1 0 164.038 1 0.823328 0 0 1322210.0 596000.0 N-Acetyl-L-cysteine - 40.0 eV M+H BIRMINGHAM-UHPLC-MS-POS temp/spectra_filtered.mgf348 -1 BIRMINGHAM-UHPLC-MS-POS.mgf 6002.2 6 0 0.984589 163.053 0 CCMSLIB00006122305 1175 spectra_filtered.mgf *..* :703 1354 -1 0 273.192 1 0.822437 0 0 104841000.0 4652000.0 Arg-C6:0 M+H ECG-ACYL-AMIDES-C4-C24-LIBRARY temp/spectra_filtered.mgf1175 -1 ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf 3642.89 10 0 0.995209 274.187 0 CCMSLIB00011434796 591 spectra_filtered.mgf *..* :5693 5693 -1 0 164.037 1 0.821138 0 0 22566300.0 26750000.0 N-Acetyl-L-cysteine - 40.0 eV M+H BIRMINGHAM-UHPLC-MS-POS temp/spectra_filtered.mgf591 -1 BIRMINGHAM-UHPLC-MS-POS.mgf 5996.19 7 0 0.983597 163.053 0 CCMSLIB00006122292 1457 spectra_filtered.mgf *..* :920 40 -1 0 273.217 1 0.816254 0 0 243023.0 6509000.0 Lys-C8:0 M+H ECG-ACYL-AMIDES-C4-C24-LIBRARY temp/spectra_filtered.mgf1457 -1 ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf 7151.75 6 0 1.95398 275.171 0 CCMSLIB00010010638 938 spectra_filtered.mgf *..* :217 480 -1 0 573.145 1 0.813114 0 0 1417680.0 1267000.0 Spectral Match to Adenylyl(3'-5')cytidine from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf938 -1 GNPS-NIST14-MATCHES.mgf 1716.43 6 0 0.983765 574.129 0 CCMSLIB00003134966 1426 spectra_filtered.mgf *..* :20681 20681 -1 0 303.214 1 0.8086 0 0 322.486 2533000.0 Arg-Lys [M+H]+ MSNLIB-POSITIVE temp/spectra_filtered.mgf1426 -1 MSNLIB-POSITIVE.mgf 121.38 10 0 0.0368042 303.177 0 CCMSLIB00012307935 1487 spectra_filtered.mgf *..* :193 5579 -1 0 288.202 1 0.806503 0 0 5389980.0 2254000.0 Spectral Match to Arg-Ile from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf1487 -1 GNPS-NIST14-MATCHES.mgf 3329.59 9 0 0.959595 289.162 0 CCMSLIB00003140066 1324 spectra_filtered.mgf *..* :5699 5699 -1 0 164.037 1 0.795087 0 0 1601020.0 1430000.0 N-Acetyl-L-cysteine - 40.0 eV M+H BIRMINGHAM-UHPLC-MS-POS temp/spectra_filtered.mgf1324 -1 BIRMINGHAM-UHPLC-MS-POS.mgf 5996.84 6 0 0.983704 163.053 0 CCMSLIB00006122303 1348 spectra_filtered.mgf *..* :5689 5689 -1 0 164.038 1 0.791626 0 0 45818900.0 1779000.0 N-Acetyl-L-cysteine - 40.0 eV M+H BIRMINGHAM-UHPLC-MS-POS temp/spectra_filtered.mgf1348 -1 BIRMINGHAM-UHPLC-MS-POS.mgf 6001.64 6 0 0.984497 163.053 0 CCMSLIB00006122285 1485 spectra_filtered.mgf *..* :865 865 -1 0 262.14 1 0.789694 0 0 77.244 5392000.0 HMDB:HMDB04987-2424 Alpha-Aspartyl-lysine M+H HMDB temp/spectra_filtered.mgf1485 -1 HMDB.mgf 3755.27 8 0 0.984406 261.156 0 CCMSLIB00000425893 38 spectra_filtered.mgf *..* :1041 65 -1 0 422.171 1 0.785116 0 0 338136.0 34726000.0 Topotecan HCl [M+H] GNPS-SELLECKCHEM-FDA-PART2 temp/spectra_filtered.mgf38 -1 GNPS-SELLECKCHEM-FDA-PART2.mgf 2023.83 6 0 0.854401 421.317 0 CCMSLIB00000078059 1378 spectra_filtered.mgf *..* :20678 20678 -1 0 303.214 1 0.783495 0 0 245.566 2701000.0 Arg-Lys [M+H]+ MSNLIB-POSITIVE temp/spectra_filtered.mgf1378 -1 MSNLIB-POSITIVE.mgf 3124.18 9 0 0.947296 304.161 0 CCMSLIB00012307928 1256 spectra_filtered.mgf *..* :703 1354 -1 0 273.192 1 0.779449 0 0 104841000.0 341000.0 Arg-C6:0 M+H ECG-ACYL-AMIDES-C4-C24-LIBRARY temp/spectra_filtered.mgf1256 -1 ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf 3735.83 7 0 1.0206 272.171 0 CCMSLIB00011434796 1252 spectra_filtered.mgf *..* :1 27 -1 0 247.128 1 0.778531 0 0 1.54 2343000.0 Val-Glu M+H WINE-DB-ORBITRAP temp/spectra_filtered.mgf1252 -1 WINE-DB-ORBITRAP.mgf 3832.05 7 0 0.947006 246.181 0 CCMSLIB00013639057 86 spectra_filtered.mgf *..* :1815 3778 -1 0 227.164 1 0.771839 0 0 1655990.0 584000.0 Spectral Match to 1,11-Undecanedicarboxylic acid from NIST14 M+H-H2O GNPS-NIST14-MATCHES temp/spectra_filtered.mgf86 -1 GNPS-NIST14-MATCHES.mgf 84.0978 8 0 0.019104 227.183 0 CCMSLIB00003138265 315 spectra_filtered.mgf *..* :5689 5689 -1 0 164.038 1 0.771229 0 0 45818900.0 628000.0 N-Acetyl-L-cysteine - 40.0 eV M+H BIRMINGHAM-UHPLC-MS-POS temp/spectra_filtered.mgf315 -1 BIRMINGHAM-UHPLC-MS-POS.mgf 6002.2 6 0 0.984589 163.053 0 CCMSLIB00006122285 1039 spectra_filtered.mgf *..* :5294 5294 -1 0 258.11 1 0.770224 0 0 461396000.0 1489000.0 L-alpha-Glycerylphosphorylcholine - 40.0 eV M+H BIRMINGHAM-UHPLC-MS-POS temp/spectra_filtered.mgf1039 -1 BIRMINGHAM-UHPLC-MS-POS.mgf 134.551 6 0 0.034729 258.145 0 CCMSLIB00006121569 1293 spectra_filtered.mgf *..* :533 8828 -1 0 132.102 1 0.756889 0 0 1189470.0 2667000.0 ISOLEUCINE - 60.0 eV M+H GNPS-LIBRARY temp/spectra_filtered.mgf1293 -1 GNPS-LIBRARY.mgf 7532.83 6 0 0.995102 133.097 0 CCMSLIB00005883686 1371 spectra_filtered.mgf *..* :589 5127 -1 0 246.181 1 0.753412 0 0 871959.0 2389000.0 Spectral Match to Lys-Val from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf1371 -1 GNPS-NIST14-MATCHES.mgf 8041.23 7 0 1.9796 248.161 0 CCMSLIB00003139614 83 spectra_filtered.mgf *..* :1013 1013 -1 0 245.175 1 0.746949 0 0 22802900.0 246000.0 Brassylic acid - 40.0 eV M+H BIRMINGHAM-UHPLC-MS-POS temp/spectra_filtered.mgf83 -1 BIRMINGHAM-UHPLC-MS-POS.mgf 4015.92 8 0 0.984604 244.19 0 CCMSLIB00006114412 573 spectra_filtered.mgf *..* :197773 197773 -1 0 275.09 1 0.736302 0 0 2067.0 26294000.0 Phloretin [M+H]+ BMDMS-NP temp/spectra_filtered.mgf573 -1 BMDMS-NP.mgf 7158.41 6 0 1.96921 273.121 0 CCMSLIB00006552073 1174 spectra_filtered.mgf *..* :176 5585 -1 0 251.106 1 0.717519 0 0 727150.0 1776000.0 Spectral Match to Thr-Met from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf1174 -1 GNPS-NIST14-MATCHES.mgf 7957.23 6 0 1.99811 249.108 0 CCMSLIB00003140072 1389 spectra_filtered.mgf *..* :46408 46408 -1 0 204.098 1 0.714363 0 0 298.762 3353000.0 Glycyl-l-glutamine [M+H]+ MSNLIB-POSITIVE temp/spectra_filtered.mgf1389 -1 MSNLIB-POSITIVE.mgf 176.364 6 0 0.0359955 204.134 0 CCMSLIB00012360719 678 spectra_filtered.mgf *..* :501 1765 -1 0 227.102 1 0.703998 0 0 1346370.0 2046000.0 Spectral Match to PyroGlu-Pro from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf678 -1 GNPS-NIST14-MATCHES.mgf 246.584 8 0 0.0559998 227.158 0 CCMSLIB00003136252 nf_output/BIRMINGHAM-UHPLC-MS-POS.mgf.tsv0000644000000000000000000000000114777454540016357 0ustar rootroot nf_output/HMDB.mgf.tsv0000644000000000000000000000000114777454540013627 0ustar rootroot nf_output/GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE.mgf.tsv0000644000000000000000000000000114777454540022130 0ustar rootroot nf_output/ECG-ACYL-ESTERS-C4-C24-LIBRARY.mgf.tsv0000644000000000000000000000000114777454540017140 0ustar rootroot nf_output/UM-NPDC.mgf.tsv0000644000000000000000000000000114777454540014160 0ustar rootroot nf_output/ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf.tsv0000644000000000000000000000000114777454540017075 0ustar rootroot nf_output/WINE-DB-ORBITRAP.mgf.tsv0000644000000000000000000000000114777454540015362 0ustar rootroot nf_output/MASSBANK.mgf.tsv0000644000000000000000000000000114777454540014314 0ustar rootroot nf_output/GNPS-SELLECKCHEM-FDA-PART1.mgf.tsv0000644000000000000000000000000114777454540016616 0ustar rootroot nf_resume_cmd.sh0000644000000000000000000000121114777454521012731 0ustar rootrootnextflow run /app/workflows_user/feature_based_molecular_networking_workflow/nf_workflow.nf -params-file /data/nf_data/server/nf_tasks/08fc6a38fcea479e9bd23b9ff64458e7/job_parameters.yaml -w /data/nf_data/server/nf_work/08fc6a38fcea479e9bd23b9ff64458e7 -with-report /data/nf_data/server/nf_tasks/08fc6a38fcea479e9bd23b9ff64458e7/job_report.html -with-timeline /data/nf_data/server/nf_tasks/08fc6a38fcea479e9bd23b9ff64458e7/job_timeline.html -with-dag /data/nf_data/server/nf_tasks/08fc6a38fcea479e9bd23b9ff64458e7/job_dag.html -resume -with-weblog http://localhost:4000/nf_weblog/08fc6a38fcea479e9bd23b9ff64458e7 -c /app/launchserver/nextflow.configsubmission_parameters.yaml0000644000000000000000000000162514777454520015101 0ustar rootrootcreate_time: 2025-04-15 06:05:57 PDT-0700 description: methanogens_genomes_project_2025 featurefindingtool: MZMINE fragment_tolerance: '0.5' input_libraries: LIBRARYLOCATION/LC/LIBRARY input_raw_spectra: '' input_supplemental_edges: '' inputfeatures: USERUPLOAD/mizrahilab/Omar/mzmine_methanogens_150425_quant.csv inputspectra: USERUPLOAD/mizrahilab/Omar/mzmine_methanogens_150425.mgf library_analog_max_shift: '1999' library_analog_search: '0' library_min_cosine: '0.7' library_min_matched_peaks: '6' library_topk: '1' metadata_filename: '' networking_max_shift: '1999' networking_min_cosine: '0.7' networking_min_matched_peaks: '6' normalization: None pm_tolerance: '2.0' precursor_filter: '1' task: 08fc6a38fcea479e9bd23b9ff64458e7 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.yaml0000644000000000000000000003040214777454521013717 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